Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T77393 | Target Info | |||
| Target Name | WD repeat-containing protein 5 (WDR5) | ||||
| Synonyms | BMP2-induced 3-kb gene protein; BIG3 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | WDR5 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Arginine | Ligand Info | |||||
| Structure Description | Crystal structure of human WDR5 in complex with L-arginine | PDB:6OI0 | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [1] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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| Ligand Name: Tilarginine | Ligand Info | |||||
| Structure Description | Crystal structure of human WDR5 in complex with monomethyl L-arginine | PDB:6OI1 | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [1] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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| Ligand Name: Serotonin | Ligand Info | |||||
| Structure Description | Crystal structure of WDR5 in complex with a H3Q5ser peptide | PDB:7CFP | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SRO or .SRO2 or .SRO3 or :3SRO;style chemicals stick;color identity;select .A:130 or .A:131 or .A:149 or .A:173 or .A:191; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Alpha-Aminobutyric Acid | Ligand Info | |||||
| Structure Description | Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature | PDB:7AXX | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [3] |
| PDB Sequence |
ATQSKPTPVK
32 PNYALKFTLA42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT 82 ISGHKLGISD92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV 132 FCCNFNPQSN142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD 182 GSLIVSSSYD192 GLCRIWDTAS202 GQCLKTLINP215 PVSFVKFSPN225 GKYILAATLD 235 NTLKLWDYSK245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI 285 WNLQTKEIVQ295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ABA or .ABA2 or .ABA3 or :3ABA;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:65 or .A:260 or .A:321 or .A:322; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: D-Phenylalanine | Ligand Info | |||||
| Structure Description | Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature | PDB:7AXX | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [3] |
| PDB Sequence |
ATQSKPTPVK
32 PNYALKFTLA42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT 82 ISGHKLGISD92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV 132 FCCNFNPQSN142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD 182 GSLIVSSSYD192 GLCRIWDTAS202 GQCLKTLINP215 PVSFVKFSPN225 GKYILAATLD 235 NTLKLWDYSK245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI 285 WNLQTKEIVQ295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DPN or .DPN2 or .DPN3 or :3DPN;style chemicals stick;color identity;select .A:191 or .A:259 or .A:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: isobutyric acid | Ligand Info | |||||
| Structure Description | Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature | PDB:7AXX | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [3] |
| PDB Sequence |
ATQSKPTPVK
32 PNYALKFTLA42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT 82 ISGHKLGISD92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV 132 FCCNFNPQSN142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD 182 GSLIVSSSYD192 GLCRIWDTAS202 GQCLKTLINP215 PVSFVKFSPN225 GKYILAATLD 235 NTLKLWDYSK245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI 285 WNLQTKEIVQ295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ALQ or .ALQ2 or .ALQ3 or :3ALQ;style chemicals stick;color identity;select .A:49 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:107; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: SDMA | Ligand Info | |||||
| Structure Description | Crystal structure of human WDR5 in complex with symmetric dimethyl-L-arginine | PDB:6OI2 | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [1] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2MR or .2MR2 or .2MR3 or :32MR;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:218 or .A:219 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: OICR-9429 | Ligand Info | |||||
| Structure Description | Crystal structure of human WDR5 in complex with compound OICR-9429 | PDB:4QL1 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [4] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .35Q or .35Q2 or .35Q3 or :335Q;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:191 or .A:260 or .A:261 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ALA47
4.000
VAL48
4.268
SER49
3.341
SER50
3.460
SER64
4.504
ALA65
3.198
GLY89
3.548
ILE90
3.829
SER91
2.915
ASP92
3.611
ASP107
3.019
PHE133
3.186
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| Ligand Name: Benzamidine | Ligand Info | |||||
| Structure Description | WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one | PDB:7U9Y | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEN or .BEN2 or .BEN3 or :3BEN;style chemicals stick;color identity;select .A:193 or .A:194 or .A:195 or .A:209 or .A:210 or .A:211 or .A:217 or .A:229 or .A:231 or .A:233 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: D-2,4-Diaminobutyric acid | Ligand Info | |||||
| Structure Description | Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature | PDB:7AXX | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [3] |
| PDB Sequence |
ATQSKPTPVK
32 PNYALKFTLA42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT 82 ISGHKLGISD92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV 132 FCCNFNPQSN142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD 182 GSLIVSSSYD192 GLCRIWDTAS202 GQCLKTLINP215 PVSFVKFSPN225 GKYILAATLD 235 NTLKLWDYSK245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI 285 WNLQTKEIVQ295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4FO or .4FO2 or .4FO3 or :34FO;style chemicals stick;color identity;select .A:91 or .A:107 or .A:131 or .A:133 or .A:149; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[5-[4-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1) | PDB:8BB3 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [6] |
| PDB Sequence |
SPNYALKFTL
41 AGHTKAVSSV51 KFSPNGEWLA61 SSSADKLIKI71 WGAYDGKFEK81 TISGHKLGIS 91 DVAWSSDSNL101 LVSASDDKTL111 KIWDVSSGKC121 LKTLKGHSNY131 VFCCNFNPQS 141 NLIVSGSFDE151 SVRIWDVKTG161 KCLKTLPAHS171 DPVSAVHFNR181 DGSLIVSSSY 191 DGLCRIWDTA201 SGQCLKTLNP215 PVSFVKFSPN225 GKYILAATLD235 NTLKLWDYSK 245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI285 WNLQTKEIVQ 295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3X or .Q3X2 or .Q3X3 or :3Q3X;style chemicals stick;color identity;select .B:47 or .B:48 or .B:49 or .B:50 or .B:64 or .B:65 or .B:89 or .B:90 or .B:91 or .B:92 or .B:107 or .B:133 or .B:134 or .B:149 or .B:173 or .B:174 or .B:175 or .B:191 or .B:216 or .B:260 or .B:261 or .B:263 or .B:305 or .B:321 or .B:322; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ALA47
4.094
VAL48
4.073
SER49
3.237
SER50
3.514
SER64
4.615
ALA65
3.424
GLY89
3.447
ILE90
3.750
SER91
2.804
ASP92
3.643
ASP107
2.951
PHE133
3.181
CYS134
4.647
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[5-[4-[[4-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker | PDB:8BB5 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [7] |
| PDB Sequence |
LVPRGSPNYA
36 LKFTLAGHTK46 AVSSVKFSPN56 GEWLASSSAD66 KLIKIWGAYD76 GKFEKTISGH 86 KLGISDVAWS96 SDSNLLVSAS106 DDKTLKIWDV116 SSGKCLKTLK126 GHSNYVFCCN 136 FNPQSNLIVS146 GSFDESVRIW156 DVKTGKCLKT166 LPAHSDPVSA176 VHFNRDGSLI 186 VSSSYDGLCR196 IWDTASGQCL206 KTLIDDDNPP216 VSFVKFSPNG226 KYILAATLDN 236 TLKLWDYSKG246 KCLKTYTGHK256 NEKYCIFANF266 SVTGGKWIVS276 GSEDNLVYIW 286 NLQTKEIVQK296 LQGHTDVVIS306 TACHPTENII316 ASAALENDKT326 IKLWKSD |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q43 or .Q432 or .Q433 or :3Q43;style chemicals stick;color identity;select .D:47 or .D:48 or .D:49 or .D:50 or .D:64 or .D:65 or .D:89 or .D:90 or .D:91 or .D:92 or .D:107 or .D:133 or .D:134 or .D:149 or .D:173 or .D:174 or .D:175 or .D:191 or .D:260 or .D:261 or .D:263 or .D:305 or .D:306 or .D:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ALA47
4.119
VAL48
4.176
SER49
3.355
SER50
3.739
SER64
4.616
ALA65
3.371
GLY89
3.242
ILE90
3.664
SER91
2.667
ASP92
3.914
ASP107
3.012
PHE133
2.943
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| Ligand Name: N-[5-[4-[[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker | PDB:8BB4 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [8] |
| PDB Sequence |
PNYALKFTLA
42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT82 ISGHKLGISD 92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV132 FCCNFNPQSN 142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD182 GSLIVSSSYD 192 GLCRIWDTAS202 GQCLKTLPPV217 SFVKFSPNGK227 YILAATLDNT237 LKLWDYSKGK 247 CLKTYTGHKN257 EKYCIFANFS267 VTGGKWIVSG277 SEDNLVYIWN287 LQTKEIVQKL 297 QGHTDVVIST307 ACHPTENIIA317 SAALENDKTI327 KLWKSDC
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3R or .Q3R2 or .Q3R3 or :3Q3R;style chemicals stick;color identity;select .Q:47 or .Q:48 or .Q:49 or .Q:50 or .Q:64 or .Q:65 or .Q:89 or .Q:90 or .Q:91 or .Q:92 or .Q:107 or .Q:131 or .Q:133 or .Q:134 or .Q:149 or .Q:173 or .Q:175 or .Q:191 or .Q:261 or .Q:263 or .Q:305 or .Q:306 or .Q:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ALA47
4.122
VAL48
4.274
SER49
3.384
SER50
3.582
SER64
4.535
ALA65
3.190
GLY89
3.406
ILE90
3.643
SER91
3.003
ASP92
3.513
ASP107
3.021
TYR131
4.250
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| Ligand Name: [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol | Ligand Info | |||||
| Structure Description | WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol | PDB:6PG8 | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [9] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLN214 PPVSFVKFSP224 NGKYILAATL234 DNTLKLWDYS 244 KGKCLKTYTG254 HKNEKYCIFA264 NFSVTGGKWI274 VSGSEDNLVY284 IWNLQTKEIV 294 QKLQGHTDVV304 ISTACHPTEN314 IIASAALEND324 KTIKLWKSDC334 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OGY or .OGY2 or .OGY3 or :3OGY;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:64 or .A:65 or .A:90 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:218 or .A:219 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide | Ligand Info | |||||
| Structure Description | WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acetamide | PDB:6PG6 | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [9] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLD213 NPPVSFVKFS223 PNGKYILAAT233 LDNTLKLWDY 243 SKGKCLKTYT253 GHKNEKYCIF263 ANFSVTGGKW273 IVSGSEDNLV283 YIWNLQTKEI 293 VQKLQGHTDV303 VISTACHPTE313 NIIASAALEN323 DKTIKLWKSD333 C |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OH7 or .OH72 or .OH73 or :3OH7;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide | Ligand Info | |||||
| Structure Description | WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide | PDB:6PG9 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [9] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OH1 or .OH12 or .OH13 or :3OH1;style chemicals stick;color identity;select .A:48 or .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:149 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Butyl-5-hydroxymethylimidazole | Ligand Info | |||||
| Structure Description | WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol | PDB:6PG3 | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [9] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLN214 PPVSFVKFSP224 NGKYILAATL234 DNTLKLWDYS 244 KGKCLKTYTG254 HKNEKYCIFA264 NFSVTGGKWI274 VSGSEDNLVY284 IWNLQTKEIV 294 QKLQGHTDVV304 ISTACHPTEN314 IIASAALEND324 KTIKLWKSDC334 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OHJ or .OHJ2 or .OHJ3 or :3OHJ;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:218 or .A:219 or .A:261 or .A:262 or .A:263 or .A:305; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[(1H-Imidazol-1-yl)methyl]furan-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity | PDB:6E1Z | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [10] |
| PDB Sequence |
PTPVKPNYAL
37 KFTLAGHTKA47 VSSVKFSPNG57 EWLASSSADK67 LIKIWGAYDG77 KFEKTISGHK 87 LGISDVAWSS97 DSNLLVSASD107 DKTLKIWDVS117 SGKCLKTLKG127 HSNYVFCCNF 137 NPQSNLIVSG147 SFDESVRIWD157 VKTGKCLKTL167 PAHSDPVSAV177 HFNRDGSLIV 187 SSSYDGLCRI197 WDTASGQCLK207 TLIDDDNPPV217 SFVKFSPNGK227 YILAATLDNT 237 LKLWDYSKGK247 CLKTYTGHKN257 EKYCIFANFS267 VTGGKWIVSG277 SEDNLVYIWN 287 LQTKEIVQKL297 QGHTDVVIST307 ACHPTENIIA317 SAALENDKTI327 KLWKSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HLP or .HLP2 or .HLP3 or :3HLP;style chemicals stick;color identity;select .A:48 or .A:49 or .A:50 or .A:91 or .A:92 or .A:133 or .A:134 or .A:135 or .A:175 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:306 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide | Ligand Info | |||||
| Structure Description | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | PDB:6E1Y | ||||
| Method | X-ray diffraction | Resolution | 1.22 Å | Mutation | No | [10] |
| PDB Sequence |
KPNYALKFTL
41 AGHTKAVSSV51 KFSPNGEWLA61 SSSADKLIKI71 WGAYDGKFEK81 TISGHKLGIS 91 DVAWSSDSNL101 LVSASDDKTL111 KIWDVSSGKC121 LKTLKGHSNY131 VFCCNFNPQS 141 NLIVSGSFDE151 SVRIWDVKTG161 KCLKTLPAHS171 DPVSAVHFNR181 DGSLIVSSSY 191 DGLCRIWDTA201 SGQCLKTLNP215 PVSFVKFSPN225 GKYILAATLD235 NTLKLWDYSK 245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI285 WNLQTKEIVQ 295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HLM or .HLM2 or .HLM3 or :3HLM;style chemicals stick;color identity;select .A:48 or .A:49 or .A:50 or .A:65 or .A:90 or .A:91 or .A:92 or .A:133 or .A:134 or .A:135 or .A:149 or .A:173 or .A:174 or .A:175 or .A:176 or .A:191 or .A:216 or .A:218 or .A:219 or .A:234 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:306 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL48
4.468
SER49
2.375
SER50
4.161
ALA65
4.681
ILE90
4.787
SER91
2.172
ASP92
2.360
PHE133
2.309
CYS134
2.301
CYS135
4.787
PHE149
2.566
PRO173
2.969
VAL174
4.168
SER175
2.503
|
|||||
| Ligand Name: 1-(2,5-Dichlorophenyl)sulfonylbenzimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of human WDR5 in complex with compound 19 | PDB:7WVK | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [11] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6IQ or .6IQ2 or .6IQ3 or :36IQ;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:228 or .A:240 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:288 or .A:289; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2r)-2-(4-Chlorophenyl)-3-oxobutanenitrile | Ligand Info | |||||
| Structure Description | Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction | PDB:6UJH | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [12] |
| PDB Sequence |
SATQSKPTPV
31 KPNYALKFTL41 AGHTKAVSSV51 KFSPNGEWLA61 SSSADKLIKI71 WGAYDGKFEK 81 TISGHKLGIS91 DVAWSSDSNL101 LVSASDDKTL111 KIWDVSSGKC121 LKTLKGHSNY 131 VFCCNFNPQS141 NLIVSGSFDE151 SVRIWDVKTG161 KCLKTLPAHS171 DPVSAVHFNR 181 DGSLIVSSSY191 DGLCRIWDTA201 SGQCLKTLID211 DDNPPVSFVK221 FSPNGKYILA 231 ATLDNTLKLW241 DYSKGKCLKT251 YTGHKNEKYC261 IFANFSVTGG271 KWIVSGSEDN 281 LVYIWNLQTK291 EIVQKLQGHT301 DVVISTACHP311 TENIIASAAL321 ENDKTIKLWK 331 SDC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QBS or .QBS2 or .QBS3 or :3QBS;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:228 or .A:240 or .A:266 or .A:268 or .A:272 or .A:288; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol | Ligand Info | |||||
| Structure Description | Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction | PDB:6UJL | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [12] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QBM or .QBM2 or .QBM3 or :3QBM;style chemicals stick;color identity;select .A:58 or .A:75 or .A:181 or .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:266 or .A:268 or .A:272 or .A:288 or .A:313 or .A:331; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]benzamide | Ligand Info | |||||
| Structure Description | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | PDB:6DAK | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [13] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G1Y or .G1Y2 or .G1Y3 or :3G1Y;style chemicals stick;color identity;select .A:49 or .A:90 or .A:91 or .A:92 or .A:133 or .A:134 or .A:149 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: US10807959, Example B15 | Ligand Info | |||||
| Structure Description | Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity | PDB:6E22 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [10] |
| PDB Sequence |
VKPNYALKFT
19 LAGHTKAVSS29 VKFSPNGEWL39 ASSSADKLIK49 IWGAYDGKFE59 KTISGHKLGI 69 SDVAWSSDSN79 LLVSASDDKT89 LKIWDVSSGK99 CLKTLKGHSN109 YVFCCNFNPQ 119 SNLIVSGSFD129 ESVRIWDVKT139 GKCLKTLPAH149 SDPVSAVHFN159 RDGSLIVSSS 169 YDGLCRIWDT179 ASGQCLKTLI189 DDDNPPVSFV199 KFSPNGKYIL209 AATLDNTLKL 219 WDYSKGKCLK229 TYTGHKNEKY239 CIFANFSVTG249 GKWIVSGSED259 NLVYIWNLQT 269 KEIVQKLQGH279 TDVVISTACH289 PTENIIASAA299 LENDKTIKLW309 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HLS or .HLS2 or .HLS3 or :3HLS;style chemicals stick;color identity;select .A:28 or .A:69 or .A:70 or .A:71 or .A:112 or .A:113 or .A:128 or .A:152 or .A:153 or .A:154 or .A:170 or .A:197 or .A:198 or .A:238 or .A:239 or .A:240 or .A:241 or .A:242 or .A:284; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline | Ligand Info | |||||
| Structure Description | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | PDB:6DAI | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [13] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G2V or .G2V2 or .G2V3 or :3G2V;style chemicals stick;color identity;select .A:47 or .A:49 or .A:65 or .A:90 or .A:91 or .A:92 or .A:107 or .A:131 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
4.036
SER49
3.364
ALA65
4.212
ILE90
4.598
SER91
3.236
ASP92
3.871
ASP107
3.325
TYR131
3.514
PHE133
3.191
CYS134
3.730
PHE149
3.646
PRO173
3.374
|
|||||
| Ligand Name: 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole | Ligand Info | |||||
| Structure Description | Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction | PDB:6UJJ | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [12] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QBP or .QBP2 or .QBP3 or :3QBP;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:228 or .A:240 or .A:249 or .A:250 or .A:266 or .A:288 or .A:289; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: US10501466, Example B12 | Ligand Info | |||||
| Structure Description | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | PDB:6DAS | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [13] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G2D or .G2D2 or .G2D3 or :3G2D;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Ligand Info | |||||
| Structure Description | Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization | PDB:7UAS | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [5] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DNPPVSFVKF222 SPNGKYILAA232 TLDNTLKLWD 242 YSKGKCLKTY252 TGHKNEKYCI262 FANFSVTGGK272 WIVSGSEDNL282 VYIWNLQTKE 292 IVQKLQGHTD302 VVISTACHPT312 ENIIASAALE322 NDKTIKLWKS332 DC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MBU or .MBU2 or .MBU3 or :3MBU;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321 or .A:322; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.098
VAL48
3.328
SER49
3.344
SER64
4.840
ALA65
3.646
GLY89
3.843
ILE90
3.541
SER91
2.934
ASP92
4.002
ASP107
3.197
PHE133
3.212
CYS134
4.440
PHE149
3.427
PRO173
3.949
|
|||||
| Ligand Name: 2-Phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole | Ligand Info | |||||
| Structure Description | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | PDB:6D9X | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [13] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FZM or .FZM2 or .FZM3 or :3FZM;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:218 or .A:219 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-[(2-Azanyl-3-methyl-imidazol-1-yl)methyl]-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoranyl-2-methyl-phenyl)-3,4-dihydroisoquinolin-1-one | Ligand Info | |||||
| Structure Description | Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core | PDB:6UCS | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [14] |
| PDB Sequence |
ATQSKPTPVK
32 PNYALKFTLA42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT 82 ISGHKLGISD92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV 132 FCCNFNPQSN142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD 182 GSLIVSSSYD192 GLCRIWDTAS202 GQCLKTLINP215 PVSFVKFSPN225 GKYILAATLD 235 NTLKLWDYSK245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI 285 WNLQTKEIVQ295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q41 or .Q412 or .Q413 or :3Q41;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
4.224
VAL48
4.261
SER49
3.364
SER50
4.690
SER64
4.262
ALA65
3.192
GLY89
3.561
ILE90
3.498
SER91
2.939
ASP92
3.626
ASP107
4.286
PHE133
3.274
CYS134
3.767
PHE149
3.417
|
|||||
| Ligand Name: N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide | Ligand Info | |||||
| Structure Description | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | PDB:6DAR | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [13] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KS |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G2J or .G2J2 or .G2J3 or :3G2J;style chemicals stick;color identity;select .A:48 or .A:49 or .A:90 or .A:91 or .A:92 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL48
4.945
SER49
3.470
ILE90
4.918
SER91
3.118
ASP92
3.591
PHE133
3.206
CYS134
3.667
PHE149
3.361
PRO173
4.294
VAL174
4.710
SER175
3.070
|
|||||
| Ligand Name: 2-Chloro-4-Fluoro-3-Methyl-N-[2-(4-Methylpiperazin-1-Yl)-5-Nitrophenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide | PDB:4IA9 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [15] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IA9 or .IA92 or .IA93 or :3IA9;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:173 or .A:174 or .A:175 or .A:191 or .A:261 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.812
VAL48
4.289
SER49
3.391
SER50
3.480
SER64
3.942
ALA65
3.097
GLY89
3.969
ILE90
3.316
SER91
2.787
ASP92
3.600
ASP107
3.956
|
|||||
| Ligand Name: N-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human WDR5 in complex with compound 9e | PDB:5EAP | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [16] |
| PDB Sequence |
GTQSKPTPVK
32 PNYALKFTLA42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT 82 ISGHKLGISD92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV 132 FCCNFNPQSN142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD 182 GSLIVSSSYD192 GLCRIWDTAS202 GQCLKTLIDN214 PPVSFVKFSP224 NGKYILAATL 234 DNTLKLWDYS244 KGKCLKTYTG254 HKNEKYCIFA264 NFSVTGGKWI274 VSGSEDNLVY 284 IWNLQTKEIV294 QKLQGHTDVV304 ISTACHPTEN314 IIASAALEND324 KTIKLWKSDC 334
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5MO or .5MO2 or .5MO3 or :35MO;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:131 or .A:133 or .A:134 or .A:149 or .A:173 or .A:175 or .A:191 or .A:260 or .A:261 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
4.020
VAL48
4.232
SER49
3.309
SER50
3.447
SER64
4.283
ALA65
3.645
GLY89
3.870
ILE90
3.296
SER91
3.181
ASP92
3.754
ASP107
4.898
TYR131
4.702
|
|||||
| Ligand Name: 3-Methyl-~{n}-[2-(4-Methylpiperazin-1-Yl)-5-Quinolin-3-Yl-Phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human WDR5 in complex with compound 9h | PDB:5EAL | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [17] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5ML or .5ML2 or .5ML3 or :35ML;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:149 or .A:173 or .A:175 or .A:191 or .A:260 or .A:261 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.954
VAL48
4.187
SER49
3.311
SER50
3.461
SER64
4.321
ALA65
3.679
GLY89
3.898
ILE90
3.385
SER91
3.185
ASP92
3.699
ASP107
4.641
|
|||||
| Ligand Name: Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate | Ligand Info | |||||
| Structure Description | Crystal structure of human WD repeat domain 5 with compound | PDB:3UR4 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [18] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDNPPVSFVK221 FSPNGKYILA231 ATLDNTLKLW 241 DYSKGKCLKT251 YTGHKNEKYC261 IFANFSVTGG271 KWIVSGSEDN281 LVYIWNLQTK 291 EIVQKLQGHT301 DVVISTACHP311 TENIIASAAL321 ENDKTIKLWK331 SDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0BW or .0BW2 or .0BW3 or :30BW;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:149 or .A:173 or .A:175 or .A:191 or .A:260 or .A:261 or .A:263 or .A:305 or .A:306 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.939
VAL48
3.838
SER49
3.204
SER50
3.466
SER64
4.287
ALA65
3.412
GLY89
3.659
ILE90
3.334
SER91
3.069
ASP92
3.771
ASP107
3.852
PHE133
3.016
|
|||||
| Ligand Name: N-[5-(1H-indol-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human WDR5 in complex with compound 9o | PDB:5EAM | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [16] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5MN or .5MN2 or .5MN3 or :35MN;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:191 or .A:260 or .A:261 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.927
VAL48
4.023
SER49
3.374
SER50
3.425
SER64
4.252
ALA65
3.629
GLY89
3.850
ILE90
3.231
SER91
3.279
ASP92
3.671
ASP107
4.592
PHE133
3.010
|
|||||
| Ligand Name: N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human WDR5 in complex with compound 9d | PDB:5EAR | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [16] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 NPPVSFVKFS223 PNGKYILAAT233 LDNTLKLWDY 243 SKGKCLKTYT253 GHKNEKYCIF263 ANFSVTGGKW273 IVSGSEDNLV283 YIWNLQTKEI 293 VQKLQGHTDV303 VISTACHPTE313 NIIASAALEN323 DKTIKLWKSD333 C |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5MQ or .5MQ2 or .5MQ3 or :35MQ;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:131 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:191 or .A:260 or .A:261 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.884
VAL48
4.127
SER49
3.346
SER50
3.429
SER64
4.209
ALA65
3.573
GLY89
3.939
ILE90
3.280
SER91
3.222
ASP92
3.723
TYR131
4.350
PHE133
3.070
|
|||||
| Ligand Name: 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human WD repeat domain 5 with compound | PDB:3SMR | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [18] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DNPPVSFVKF222 SPNGKYILAA232 TLDNTLKLWD 242 YSKGKCLKTY252 TGHKNEKYCI262 FANFSVTGGK272 WIVSGSEDNL282 VYIWNLQTKE 292 IVQKLQGHTD302 VVISTACHPT312 ENIIASAALE322 NDKTIKLWKS332 DC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NP7 or .NP72 or .NP73 or :3NP7;style chemicals stick;color identity;select .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:173 or .A:174 or .A:175 or .A:191 or .A:261 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer | PDB:7Q2J | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [19] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8KH or .8KH2 or .8KH3 or :38KH;style chemicals stick;color identity;select .D:47 or .D:48 or .D:49 or .D:50 or .D:64 or .D:65 or .D:89 or .D:90 or .D:91 or .D:92 or .D:107 or .D:133 or .D:134 or .D:149 or .D:172 or .D:173 or .D:174 or .D:175 or .D:191 or .D:260 or .D:261 or .D:263 or .D:305 or .D:306 or .D:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
4.495
VAL48
4.039
SER49
3.396
SER50
3.411
SER64
4.589
ALA65
3.438
GLY89
3.297
ILE90
3.413
SER91
2.542
ASP92
3.768
ASP107
3.069
PHE133
3.139
CYS134
4.145
|
|||||
| Ligand Name: 5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction | PDB:6U6W | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [20] |
| PDB Sequence |
TQSKPTPVKP
33 NYALKFTLAG43 HTKAVSSVKF53 SPNGEWLASS63 SADKLIKIWG73 AYDGKFEKTI 83 SGHKLGISDV93 AWSSDSNLLV103 SASDDKTLKI113 WDVSSGKCLK123 TLKGHSNYVF 133 CCNFNPQSNL143 IVSGSFDESV153 RIWDVKTGKC163 LKTLPAHSDP173 VSAVHFNRDG 183 SLIVSSSYDG193 LCRIWDTASG203 QCLKTLIDNP215 PVSFVKFSPN225 GKYILAATLD 235 NTLKLWDYSK245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI 285 WNLQTKEIVQ295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q0Y or .Q0Y2 or .Q0Y3 or :3Q0Y;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:250 or .A:252 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:274 or .A:288 or .A:289; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{[(5-Bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid | Ligand Info | |||||
| Structure Description | Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction | PDB:6U8B | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | No | [20] |
| PDB Sequence |
TQSKPTPVKP
33 NYALKFTLAG43 HTKAVSSVKF53 SPNGEWLASS63 SADKLIKIWG73 AYDGKFEKTI 83 SGHKLGISDV93 AWSSDSNLLV103 SASDDKTLKI113 WDVSSGKCLK123 TLKGHSNYVF 133 CCNFNPQSNL143 IVSGSFDESV153 RIWDVKTGKC163 LKTLPAHSDP173 VSAVHFNRDG 183 SLIVSSSYDG193 LCRIWDTASG203 QCLKTLINPP216 VSFVKFSPNG226 KYILAATLDN 236 TLKLWDYSKG246 KCLKTYTGHK256 NEKYCIFANF266 SVTGGKWIVS276 GSEDNLVYIW 286 NLQTKEIVQK296 LQGHTDVVIS306 TACHPTENII316 ASAALENDKT326 IKLWKSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q1M or .Q1M2 or .Q1M3 or :3Q1M;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:250 or .A:252 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:288 or .A:289; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction | PDB:6U80 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [20] |
| PDB Sequence |
TQSKPTPVKP
33 NYALKFTLAG43 HTKAVSSVKF53 SPNGEWLASS63 SADKLIKIWG73 AYDGKFEKTI 83 SGHKLGISDV93 AWSSDSNLLV103 SASDDKTLKI113 WDVSSGKCLK123 TLKGHSNYVF 133 CCNFNPQSNL143 IVSGSFDESV153 RIWDVKTGKC163 LKTLPAHSDP173 VSAVHFNRDG 183 SLIVSSSYDG193 LCRIWDTASG203 QCLKTLIDNP215 PVSFVKFSPN225 GKYILAATLD 235 NTLKLWDYSK245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI 285 WNLQTKEIVQ295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q1J or .Q1J2 or .Q1J3 or :3Q1J;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:274 or .A:288 or .A:289; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-{(3r,6s,9s,12r)-6-Ethyl-12-Methyl-9-[3-(N'-Methylcarbamimidamido)propyl]-2,5,8,11-Tetraoxo-3-Phenyl-1,4,7,10-Tetraazacyclotetradecan-12-Yl}-2-Methylpropanamide | Ligand Info | |||||
| Structure Description | WDR5 bound to inhibitor MM-589 | PDB:5VFC | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [21] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9BA or .9BA2 or .9BA3 or :39BA;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:149 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321 or .A:322; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
2.979
VAL48
3.112
SER49
2.584
SER50
4.377
SER64
3.778
ALA65
3.204
GLY89
3.049
ILE90
2.786
SER91
1.879
ASP92
2.689
ASP107
1.855
TYR131
2.920
VAL132
4.950
PHE133
2.117
CYS134
3.076
|
|||||
| Ligand Name: Protac MS33 | Ligand Info | |||||
| Structure Description | Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | PDB:7JTO | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [22] |
| PDB Sequence |
KPNYALKFTL
41 AGHTKAVSSV51 KFSPNGEWLA61 SSSADKLIKI71 WGAYDGKFEK81 TISGHKLGIS 91 DVAWSSDSNL101 LVSASDDKTL111 KIWDVSSGKC121 LKTLKGHSNY131 VFCCNFNPQS 141 NLIVSGSFDE151 SVRIWDVKTG161 KCLKTLPAHS171 DPVSAVHFNR181 DGSLIVSSSY 191 DGLCRIWDTA201 SGQCLKTLID211 DDNPPVSFVK221 FSPNGKYILA231 ATLDNTLKLW 241 DYSKGKCLKT251 YTGHKNEKYC261 IFANFSVTGG271 KWIVSGSEDN281 LVYIWNLQTK 291 EIVQKLQGHT301 DVVISTACHP311 TENIIASAAL321 ENDKTIKLWK331 SDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VKA or .VKA2 or .VKA3 or :3VKA;style chemicals stick;color identity;select .B:47 or .B:48 or .B:49 or .B:50 or .B:64 or .B:65 or .B:89 or .B:90 or .B:91 or .B:92 or .B:107 or .B:133 or .B:134 or .B:149 or .B:172 or .B:173 or .B:175 or .B:191 or .B:216 or .B:234 or .B:258 or .B:259 or .B:260 or .B:261 or .B:263 or .B:305 or .B:321 or .B:322; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.791
VAL48
4.094
SER49
3.258
SER50
3.624
SER64
4.272
ALA65
3.207
GLY89
3.217
ILE90
3.253
SER91
2.907
ASP92
3.754
ASP107
2.919
PHE133
3.196
CYS134
4.666
PHE149
4.008
|
|||||
| Ligand Name: N-(6-fluoro-3'-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carbonyl]amino}-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-carbonyl)glycyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide | Ligand Info | |||||
| Structure Description | Crystal structure of Protac MS67 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | PDB:7JTP | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [22] |
| PDB Sequence |
KPNYALKFTL
41 AGHTKAVSSV51 KFSPNGEWLA61 SSSADKLIKI71 WGAYDGKFEK81 TISGHKLGIS 91 DVAWSSDSNL101 LVSASDDKTL111 KIWDVSSGKC121 LKTLKGHSNY131 VFCCNFNPQS 141 NLIVSGSFDE151 SVRIWDVKTG161 KCLKTLPAHS171 DPVSAVHFNR181 DGSLIVSSSY 191 DGLCRIWDTA201 SGQCLKTLID211 DDNPPVSFVK221 FSPNGKYILA231 ATLDNTLKLW 241 DYSKGKCLKT251 YTGHKNEKYC261 IFANFSVTGG271 KWIVSGSEDN281 LVYIWNLQTK 291 EIVQKLQGHT301 DVVISTACHP311 TENIIASAAL321 ENDKTIKLWK331 SDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X6M or .X6M2 or .X6M3 or :3X6M;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:131 or .A:133 or .A:134 or .A:149 or .A:151 or .A:172 or .A:173 or .A:174 or .A:175 or .A:191 or .A:260 or .A:261 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
4.023
VAL48
4.248
SER49
2.991
SER50
3.526
SER64
4.762
ALA65
3.282
GLY89
3.436
ILE90
3.801
SER91
2.806
ASP92
3.587
ASP107
2.870
TYR131
3.866
PHE133
3.140
|
|||||
| Ligand Name: N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide | Ligand Info | |||||
| Structure Description | WDR5delta32 bound to peptidomimetic | PDB:6PGD | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [9] |
| PDB Sequence |
GSKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OK4 or .OK42 or .OK43 or :3OK4;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:131 or .A:133 or .A:134 or .A:149 or .A:175 or .A:176 or .A:177 or .A:218 or .A:219 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.603
VAL48
3.654
SER49
3.180
ALA65
3.702
GLY89
3.496
ILE90
3.692
SER91
2.744
ASP92
3.776
ASP107
2.833
TYR131
3.660
PHE133
3.378
CYS134
3.822
|
|||||
| Ligand Name: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide | Ligand Info | |||||
| Structure Description | WDR5delta32 bound to N-(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acrylamide | PDB:6PGF | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [9] |
| PDB Sequence |
GSKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OJP or .OJP2 or .OJP3 or :3OJP;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2-Methyl-1H-imidazol-4-yl)methanol | Ligand Info | |||||
| Structure Description | WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol | PDB:6PG4 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [9] |
| PDB Sequence |
GSKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OHG or .OHG2 or .OHG3 or :3OHG;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:218 or .A:219 or .A:261 or .A:262 or .A:263 or .A:305; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide | Ligand Info | |||||
| Structure Description | WDR5delta32 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)-2-phenylacetamide | PDB:6PGB | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [9] |
| PDB Sequence |
GSKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OJG or .OJG2 or .OJG3 or :3OJG;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate | Ligand Info | |||||
| Structure Description | WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)propanoate | PDB:6PGE | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [9] |
| PDB Sequence |
GSKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OJM or .OJM2 or .OJM3 or :3OJM;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:65 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:177 or .A:218 or .A:219 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate | Ligand Info | |||||
| Structure Description | WDR5delta32 bound to methyl benzyl(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate | PDB:6PGC | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [9] |
| PDB Sequence |
GSKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OJJ or .OJJ2 or .OJJ3 or :3OJJ;style chemicals stick;color identity;select .A:47 or .A:49 or .A:65 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321 or .A:322; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one | Ligand Info | |||||
| Structure Description | WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one | PDB:7U9Y | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M4U or .M4U2 or .M4U3 or :3M4U;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.222
VAL48
3.514
SER49
3.457
ALA65
3.754
GLY89
3.841
ILE90
3.435
SER91
3.054
ASP92
3.995
ASP107
3.921
PHE133
3.223
CYS134
4.550
PHE149
3.499
PRO173
3.334
|
|||||
| Ligand Name: benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate | Ligand Info | |||||
| Structure Description | WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate | PDB:6PG5 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [9] |
| PDB Sequence |
GSKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OHV or .OHV2 or .OHV3 or :3OHV;style chemicals stick;color identity;select .A:48 or .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:149 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate | Ligand Info | |||||
| Structure Description | WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate | PDB:6PGA | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [9] |
| PDB Sequence |
GSKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OGM or .OGM2 or .OGM3 or :3OGM;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol | Ligand Info | |||||
| Structure Description | WDR5delta32 bound to (2-(3-methoxy-3-phenylpropyl)-1H-imidazol-4-yl)methanol | PDB:6PG7 | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [9] |
| PDB Sequence |
GSKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OH4 or .OH42 or .OH43 or :3OH4;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:64 or .A:65 or .A:90 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:218 or .A:219 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide | Ligand Info | |||||
| Structure Description | WDR5 in complex with a WIN site inhibitor | PDB:6DYA | ||||
| Method | X-ray diffraction | Resolution | 2.56 Å | Mutation | No | [10] |
| PDB Sequence |
PVKPNYALKF
39 TLAGHTKAVS49 SVKFSPNGEW59 LASSSADKLI69 KIWGAYDGKF79 EKTISGHKLG 89 ISDVAWSSDS99 NLLVSASDDK109 TLKIWDVSSG119 KCLKTLKGHS129 NYVFCCNFNP 139 QSNLIVSGSF149 DESVRIWDVK159 TGKCLKTLPA169 HSDPVSAVHF179 NRDGSLIVSS 189 SYDGLCRIWD199 TASGQCLKTL209 IDDDNPPVSF219 VKFSPNGKYI229 LAATLDNTLK 239 LWDYSKGKCL249 KTYTGHKNEK259 YCIFANFSVT269 GGKWIVSGSE279 DNLVYIWNLQ 289 TKEIVQKLQG299 HTDVVISTAC309 HPTENIIASA319 ALENDKTIKL329 WKSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HHM or .HHM2 or .HHM3 or :3HHM;style chemicals stick;color identity;select .A:49 or .A:91 or .A:92 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:191 or .A:259 or .A:260 or .A:261 or .A:263 or .A:305; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-Cyclohexyl-1H-benzotriazole-5-carboxylic acid | Ligand Info | |||||
| Structure Description | WDR5 in complex with Myc site fragment inhibitor | PDB:6UHZ | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | No | [12] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 NPPVSFVKFS223 PNGKYILAAT233 LDNTLKLWDY 243 SKGKCLKTYT253 GHKNEKYCIF263 ANFSVTGGKW273 IVSGSEDNLV283 YIWNLQTKEI 293 VQKLQGHTDV303 VISTACHPTE313 NIIASAALEN323 DKTIKLWKSD333 C |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q8D or .Q8D2 or .Q8D3 or :3Q8D;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:288 or .A:289; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-Cyclohexylbenzodiazole-5-carboxylic acid | Ligand Info | |||||
| Structure Description | WDR5 in complex with Myc site fragment inhibitor | PDB:6UHY | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | No | [12] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 NPPVSFVKFS223 PNGKYILAAT233 LDNTLKLWDY 243 SKGKCLKTYT253 GHKNEKYCIF263 ANFSVTGGKW273 IVSGSEDNLV283 YIWNLQTKEI 293 VQKLQGHTDV303 VISTACHPTE313 NIIASAALEN323 DKTIKLWKSD333 C |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q8G or .Q8G2 or .Q8G3 or :3Q8G;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:288 or .A:289; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide | Ligand Info | |||||
| Structure Description | Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction | PDB:6U5Y | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [20] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q0M or .Q0M2 or .Q0M3 or :3Q0M;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:274 or .A:288 or .A:289; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction | PDB:6UJ4 | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [12] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLN214 PPVSFVKFSP224 NGKYILAATL234 DNTLKLWDYS 244 KGKCLKTYTG254 HKNEKYCIFA264 NFSVTGGKWI274 VSGSEDNLVY284 IWNLQTKEIV 294 QKLQGHTDVV304 ISTACHPTEN314 IIASAALEND324 KTIKLWKSDC334 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q8S or .Q8S2 or .Q8S3 or :3Q8S;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:274 or .A:288 or .A:289; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction | PDB:6UOZ | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [12] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QF1 or .QF12 or .QF13 or :3QF1;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:274 or .A:288 or .A:289; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{[(5-Bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid | Ligand Info | |||||
| Structure Description | Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction | PDB:6U8L | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [20] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q1P or .Q1P2 or .Q1P3 or :3Q1P;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:252 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:288 or .A:289; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine | Ligand Info | |||||
| Structure Description | Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction | PDB:6U8L | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [20] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q1S or .Q1S2 or .Q1S3 or :3Q1S;style chemicals stick;color identity;select .A:47 or .A:49 or .A:50 or .A:64 or .A:65 or .A:90 or .A:91 or .A:92 or .A:133 or .A:134 or .A:173 or .A:174 or .A:175 or .A:191 or .A:260 or .A:261 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide | Ligand Info | |||||
| Structure Description | Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction | PDB:6UIF | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [12] |
| PDB Sequence |
KPNYALKFTL
41 AGHTKAVSSV51 KFSPNGEWLA61 SSSADKLIKI71 WGAYDGKFEK81 TISGHKLGIS 91 DVAWSSDSNL101 LVSASDDKTL111 KIWDVSSGKC121 LKTLKGHSNY131 VFCCNFNPQS 141 NLIVSGSFDE151 SVRIWDVKTG161 KCLKTLPAHS171 DPVSAVHFNR181 DGSLIVSSSY 191 DGLCRIWDTA201 SGQCLKTLID213 NPPVSFVKFS223 PNGKYILAAT233 LDNTLKLWDY 243 SKGKCLKTYT253 GHKNEKYCIF263 ANFSVTGGKW273 IVSGSEDNLV283 YIWNLQTKEI 293 VQKLQGHTDV303 VISTACHPTE313 NIIASAALEN323 DKTIKLWKSD333 C |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q8P or .Q8P2 or .Q8P3 or :3Q8P;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:252 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:274 or .A:288 or .A:289; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction | PDB:6UIK | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [12] |
| PDB Sequence |
KPNYALKFTL
41 AGHTKAVSSV51 KFSPNGEWLA61 SSSADKLIKI71 WGAYDGKFEK81 TISGHKLGIS 91 DVAWSSDSNL101 LVSASDDKTL111 KIWDVSSGKC121 LKTLKGHSNY131 VFCCNFNPQS 141 NLIVSGSFDE151 SVRIWDVKTG161 KCLKTLPAHS171 DPVSAVHFNR181 DGSLIVSSSY 191 DGLCRIWDTA201 SGQCLKTLID211 DDNPPVSFVK221 FSPNGKYILA231 ATLDNTLKLW 241 DYSKGKCLKT251 YTGHKNEKYC261 IFANFSVTGG271 KWIVSGSEDN281 LVYIWNLQTK 291 EIVQKLQGHT301 DVVISTACHP311 TENIIASAAL321 ENDKTIKLWK331 SDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q8M or .Q8M2 or .Q8M3 or :3Q8M;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:274 or .A:288 or .A:289; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction | PDB:6U8O | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [20] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q1G or .Q1G2 or .Q1G3 or :3Q1G;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:226 or .A:228 or .A:240 or .A:249 or .A:250 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:274 or .A:288 or .A:289; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction | PDB:6U5M | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [20] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DNPPVSFVKF222 SPNGKYILAA232 TLDNTLKLWD 242 YSKGKCLKTY252 TGHKNEKYCI262 FANFSVTGGK272 WIVSGSEDNL282 VYIWNLQTKE 292 IVQKLQGHTD302 VVISTACHPT312 ENIIASAALE322 NDKTIKLWKS332 DC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q0S or .Q0S2 or .Q0S3 or :3Q0S;style chemicals stick;color identity;select .A:223 or .A:224 or .A:225 or .A:228 or .A:240 or .A:249 or .A:250 or .A:252 or .A:266 or .A:267 or .A:268 or .A:272 or .A:273 or .A:274 or .A:288 or .A:289; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine | Ligand Info | |||||
| Structure Description | WDR5 in complex with a WIN site inhibitor | PDB:6DY7 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [10] |
| PDB Sequence |
VKPNYALKFT
40 LAGHTKAVSS50 VKFSPNGEWL60 ASSSADKLIK70 IWGAYDGKFE80 KTISGHKLGI 90 SDVAWSSDSN100 LLVSASDDKT110 LKIWDVSSGK120 CLKTLKGHSN130 YVFCCNFNPQ 140 SNLIVSGSFD150 ESVRIWDVKT160 GKCLKTLPAH170 SDPVSAVHFN180 RDGSLIVSSS 190 YDGLCRIWDT200 ASGQCLKTLI210 DDDNPPVSFV220 KFSPNGKYIL230 AATLDNTLKL 240 WDYSKGKCLK250 TYTGHKNEKY260 CIFANFSVTG270 GKWIVSGSED280 NLVYIWNLQT 290 KEIVQKLQGH300 TDVVISTACH310 PTENIIASAA320 LENDKTIKLW330 KSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HH7 or .HH72 or .HH73 or :3HH7;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:65 or .A:91 or .A:92 or .A:133 or .A:134 or .A:175 or .A:176 or .A:218 or .A:219 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: H-Ser-Ala-Arg-Ala-Unk-Val-al | Ligand Info | |||||
| Structure Description | Modulation of MLL1 Methyltransferase Activity | PDB:5M23 | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [23] |
| PDB Sequence |
PNYALKFTLA
42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT82 ISGHKLGISD 92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV132 FCCNFNPQSN 142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD182 GSLIVSSSYD 192 GLCRIWDTAS202 GQCLKTLIDD212 DNPPVSFVKF222 SPNGKYILAA232 TLDNTLKLWD 242 YSKGKCLKTY252 TGHKNEKYCI262 FANFSVTGGK272 WIVSGSEDNL282 VYIWNLQTKE 292 IVQKLQGHTD302 VVISTACHPT312 ENIIASAALE322 NDKTIKLWKS332 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7DC or .7DC2 or .7DC3 or :37DC;style chemicals stick;color identity;select .A:47 or .A:49 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:131 or .A:133 or .A:134 or .A:149 or .A:175 or .A:218 or .A:234 or .A:258 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.467
SER49
3.275
SER64
4.549
ALA65
3.694
GLY89
3.455
ILE90
3.401
SER91
2.739
ASP92
4.090
ASP107
2.811
TYR131
3.745
PHE133
2.974
CYS134
3.827
|
|||||
| Ligand Name: (E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol | Ligand Info | |||||
| Structure Description | Structure of WDR5:CS-VIP8 crystal after illumination at 405 nm and room temperature | PDB:7AXX | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [3] |
| PDB Sequence |
ATQSKPTPVK
32 PNYALKFTLA42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT 82 ISGHKLGISD92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV 132 FCCNFNPQSN142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD 182 GSLIVSSSYD192 GLCRIWDTAS202 GQCLKTLINP215 PVSFVKFSPN225 GKYILAATLD 235 NTLKLWDYSK245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI 285 WNLQTKEIVQ295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S7Z or .S7Z2 or .S7Z3 or :3S7Z;style chemicals stick;color identity;select .A:149 or .A:191 or .A:260; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide | Ligand Info | |||||
| Structure Description | Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity | PDB:6E23 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [10] |
| PDB Sequence |
KPNYALKFTL
41 AGHTKAVSSV51 KFSPNGEWLA61 SSSADKLIKI71 WGAYDGKFEK81 TISGHKLGIS 91 DVAWSSDSNL101 LVSASDDKTL111 KIWDVSSGKC121 LKTLKGHSNY131 VFCCNFNPQS 141 NLIVSGSFDE151 SVRIWDVKTG161 KCLKTLPAHS171 DPVSAVHFNR181 DGSLIVSSSY 191 DGLCRIWDTA201 SGQCLKTLNP215 PVSFVKFSPN225 GKYILAATLD235 NTLKLWDYSK 245 GKCLKTYTGH255 KNEKYCIFAN265 FSVTGGKWIV275 SGSEDNLVYI285 WNLQTKEIVQ 295 KLQGHTDVVI305 STACHPTENI315 IASAALENDK325 TIKLWKSDC
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HLJ or .HLJ2 or .HLJ3 or :3HLJ;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:176 or .A:190 or .A:191 or .A:217 or .A:218 or .A:219 or .A:234 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
4.036
VAL48
4.368
SER49
3.390
SER50
4.996
SER64
4.393
ALA65
3.174
GLY89
3.436
ILE90
3.569
SER91
2.980
ASP92
3.789
ASP107
3.878
PHE133
3.222
CYS134
3.821
PHE149
3.838
PRO173
3.877
VAL174
4.035
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| Ligand Name: N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide | Ligand Info | |||||
| Structure Description | WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) | PDB:6UFX | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [14] |
| PDB Sequence |
KPNYALKFTL
41 AGHTKAVSSV51 KFSPNGEWLA61 SSSADKLIKI71 WGAYDGKFEK81 TISGHKLGIS 91 DVAWSSDSNL101 LVSASDDKTL111 KIWDVSSGKC121 LKTLKGHSNY131 VFCCNFNPQS 141 NLIVSGSFDE151 SVRIWDVKTG161 KCLKTLPAHS171 DPVSAVHFNR181 DGSLIVSSSY 191 DGLCRIWDTA201 SGQCLKTLID211 DDNPPVSFVK221 FSPNGKYILA231 ATLDNTLKLW 241 DYSSGKCLKT251 YTGHKNEKYC261 IFANFSVTGG271 KWIVSGSEDN281 LVYIWNLQTK 291 EIVQKLQGHT301 DVVISTACHP311 TENIIASAAL321 ENDKTIKLWK331 SDC |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q6S or .Q6S2 or .Q6S3 or :3Q6S;style chemicals stick;color identity;select .A:47 or .A:48 or .A:49 or .A:50 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:133 or .A:134 or .A:149 or .A:173 or .A:174 or .A:175 or .A:176 or .A:191 or .A:218 or .A:219 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:305 or .A:321; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
4.147
VAL48
3.973
SER49
3.377
SER50
4.809
SER64
4.312
ALA65
3.184
GLY89
3.276
ILE90
3.550
SER91
2.881
ASP92
3.603
ASP107
3.946
PHE133
3.190
CYS134
3.800
PHE149
3.581
|
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| Ligand Name: (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide | Ligand Info | |||||
| Structure Description | Modulation of MLL1 Methyltransferase Activity | PDB:5M25 | ||||
| Method | X-ray diffraction | Resolution | 2.43 Å | Mutation | No | [23] |
| PDB Sequence |
PNYALKFTLA
42 GHTKAVSSVK52 FSPNGEWLAS62 SSADKLIKIW72 GAYDGKFEKT82 ISGHKLGISD 92 VAWSSDSNLL102 VSASDDKTLK112 IWDVSSGKCL122 KTLKGHSNYV132 FCCNFNPQSN 142 LIVSGSFDES152 VRIWDVKTGK162 CLKTLPAHSD172 PVSAVHFNRD182 GSLIVSSSYD 192 GLCRIWDTAS202 GQCLKTLIDD212 DNPPVSFVKF222 SPNGKYILAA232 TLDNTLKLWD 242 YSKGKCLKTY252 TGHKNEKYCI262 FANFSVTGGK272 WIVSGSEDNL282 VYIWNLQTKE 292 IVQKLQGHTD302 VVISTACHPT312 ENIIASAALE322 NDKTIKLWKS332 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7DU or .7DU2 or .7DU3 or :37DU;style chemicals stick;color identity;select .A:47 or .A:49 or .A:64 or .A:65 or .A:89 or .A:90 or .A:91 or .A:92 or .A:107 or .A:131 or .A:133 or .A:134 or .A:149 or .A:175 or .A:216 or .A:234 or .A:258 or .A:259 or .A:260 or .A:261 or .A:263 or .A:305 or .A:321; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA47
3.816
SER49
3.330
SER64
4.563
ALA65
3.800
GLY89
3.686
ILE90
3.066
SER91
2.703
ASP92
3.921
ASP107
2.832
TYR131
3.783
PHE133
3.004
CYS134
4.196
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry. 2020 Oct 6;59(39):3696-3708. | ||||
| REF 2 | Structural insights into the recognition of histone H3Q5 serotonylation by WDR5. Sci Adv. 2021 Jun 18;7(25):eabf4291. | ||||
| REF 3 | Bistable Photoswitch Allows in Vivo Control of Hematopoiesis. ACS Cent Sci. 2022 Jan 26;8(1):57-66. | ||||
| REF 4 | Pharmacological targeting of the Wdr5-MLL interaction in C/EBPAlpha N-terminal leukemia. Nat Chem Biol. 2015 Aug;11(8):571-578. | ||||
| REF 5 | Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization. J Med Chem. 2022 Apr 28;65(8):6287-6312. | ||||
| REF 6 | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1) | ||||
| REF 7 | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker | ||||
| REF 8 | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker | ||||
| REF 9 | Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn. 2019 Nov 14;6(6):064701. | ||||
| REF 10 | Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep. 2019 Mar 12;26(11):2916-2928.e13. | ||||
| REF 11 | Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma. Acta Pharmacol Sin. 2023 Apr;44(4):877-887. | ||||
| REF 12 | Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J Med Chem. 2020 Apr 23;63(8):4315-4333. | ||||
| REF 13 | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J Med Chem. 2018 Jul 12;61(13):5623-5642. | ||||
| REF 14 | Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J Med Chem. 2020 Jan 23;63(2):656-675. | ||||
| REF 15 | Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction. ACS Med Chem Lett. 2013 Feb 4;4(3):353-7. | ||||
| REF 16 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J Med Chem. 2016 Mar 24;59(6):2478-96. | ||||
| REF 17 | Crystal structure of human WDR5 in complex with compound 9h | ||||
| REF 18 | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5. Biochem J. 2013 Jan 1;449(1):151-9. | ||||
| REF 19 | Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer | ||||
| REF 20 | Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J Med Chem. 2019 Dec 26;62(24):11232-11259. | ||||
| REF 21 | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J Med Chem. 2017 Jun 22;60(12):4818-4839. | ||||
| REF 22 | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models. Sci Transl Med. 2021 Sep 29;13(613):eabj1578. | ||||
| REF 23 | Controlled inhibition of methyltransferases using photoswitchable peptidomimetics: towards an epigenetic regulation of leukemia. Chem Sci. 2017 Jun 1;8(6):4612-4618. | ||||
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