Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T08391 | Target Info | |||
| Target Name | Janus kinase 2 (JAK-2) | ||||
| Synonyms | Tyrosine-protein kinase JAK2 | ||||
| Target Type | Successful Target | ||||
| Gene Name | JAK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2W1I Structure determination of Aurora Kinase in complex with inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 QMAG
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| PDB ID: 5CF4 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | ||||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [2] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYRNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 NMA
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| PDB ID: 5CF5 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.02,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [2] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSRN924 LKLIMEYLPY934 GSLRDYLQKH944 KERIDHIKLL 954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD994 FGLTKVLPQD 1004 KEKVKEPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE1046 LFTYIEKSKS 1056 PPAEFMRMIG1066 NDKQGQMIVF1076 HLIELLKNNG1086 RLPRPDGCPD1096 EIYMIMTECW 1106 NNNVNQRPSF1116 RDLALRVDQI1126 RDNMAGH
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| PDB ID: 5CF6 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSRN924 LKLIMEYLPY934 GSLRDYLQKH944 KERIDHIKLL 954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD994 FGLTKVLPQD 1004 KEKVKEPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE1046 LFTYIEKSKS 1056 PPAEFMRMIG1066 NDKQGQMIVF1076 HLIELLKNNG1086 RLPRPDGCPD1096 EIYMIMTECW 1106 NNNVNQRPSF1116 RDLALRVDQI1126 RDNMA
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4ZIM CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [3] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSRN924 LKLIMEYLPY934 GSLRDYLQKH944 KERIDHIKLL 954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD994 FGLTKVLPQD 1004 KEKVKEPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE1046 LFTYIEKSKS 1056 PPAEFMRMIG1066 NDKQGQMIVF1076 HLIELLKNNG1086 RLPRPDGCPD1096 EIYMIMTECW 1106 NNNVNQRPSF1116 RDLALRVDQI1126 RDNMA
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5WEV Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [4] |
| PDB Sequence |
SGAFEDRDPT
842 QFEERHLKFL852 QQLGKGSVEM865 CRYDPLQDNT875 GEVVAVKKLQ885 HSTEEHLRDF 895 EREIEILKSL905 QHDNIVKYKG915 VCYSAGRRNL925 KLIMEYLPYG935 SLRDYLQKHK 945 ERIDHIKLLQ955 YTSQICKGME965 YLGTKRYIHR975 DLATRNILVE985 NENRVKIGDF 995 GLTKVLPQDK1005 EKVKEPGESP1017 IFWYAPESLT1027 ESKFSVASDV1037 WSFGVVLYEL 1047 FTYIEKSKSP1057 PAEFMRMIGN1067 DKQGQMIVFH1077 LIELLKNNGR1087 LPRPDGCPDE 1097 IYMIMTECWN1107 NNVNQRPSFR1117 DLALRVDQIR1127 DNM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:973 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7Q7K JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol | ||||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | No | [5] |
| PDB Sequence |
DPTQFEERHL
849 KFLQQLGKGN859 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYS919 AGRRNLKLIM929 EYLPYGSLRD939 YLQKHKERID 949 HIKLLQYTSQ959 ICKGMEYLGT969 KRYIHRDLAT979 RNILVENENR989 VKIGDFGLTK 999 VLPQDKEKVK1011 EPGESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI 1051 EKSKSPPAEF1061 MRMIGNDKQG1071 QSIVTHLIEL1081 LKNNGRLPRP1091 DGCPDEIYMI 1101 MTECWNNNVN1111 QRPSFRDLAL1121 RVDQIRDNMA1131
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7Q7I JAK2 in complex with 4-{8-methoxy-2-[(1-methyl-1H-pyrazol-4-yl)amino]quinazolin-6-yl}phenol | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [5] |
| PDB Sequence |
DPTQFEERHL
849 KFLQQLGKGN859 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYS919 AGRRNLKLIM929 EYLPYGSLRD939 YLQKHKERID 949 HIKLLQYTSQ959 ICKGMEYLGT969 KRYIHRDLAT979 RNILVENENR989 VKIGDFGLTK 999 VLPQDKEKVK1011 EPGESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI 1051 EKSKSPPAEF1061 MRMIGNDKQG1071 QSIVTHLIEL1081 LKNNGRLPRP1091 DGCPDEIYMI 1101 MTECWNNNVN1111 QRPSFRDLAL1121 RVDQIRDNMA1131
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7Q7W JAK2 in complex with 4-(2-{[5-(dimethylamino)pentyl]amino}-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [5] |
| PDB Sequence |
DPTQFEERHL
849 KFLQQLGKGN859 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYS919 AGRRNLKLIM929 EYLPYGSLRD939 YLQKHKERID 949 HIKLLQYTSQ959 ICKGMEYLGT969 KRYIHRDLAT979 RNILVENENR989 VKIGDFGLTK 999 VLPQDKEKVK1011 EPGESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI 1051 EKSKSPPAEF1061 MRMIGNDKQG1071 QSIVTHLIEL1081 LKNNGRLPRP1091 DGCPDEIYMI 1101 MTECWNNNVN1111 QRPSFRDLAL1121 RVDQIRDNMA1131
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:893 or .A:897 or .A:973 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1028 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7Q7L JAK2 in complex with 4-(2-amino-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol | ||||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [5] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEKVKEPG1014 ESPIFWYAPE1024 SLTESKFSVA1034 SDVWSFGVVL1044 YELFTYIEKS 1054 KSPPAEFMRM1064 IGNDKQGQSI1074 VTHLIELLKN1084 NGRLPRPDGC1094 PDEIYMIMTE 1104 CWNNNVNQRP1114 SFRDLALRVD1124 QIRDNMA
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5USY JAK2 JH1 in complex with JNJ-7706621 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [6] |
| PDB Sequence |
DPTQFEERHL
849 KFLQQLGKGN859 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYS919 AGRRNLKLIM929 EYLPYGSLRD939 YLQKHKERID 949 HIKLLQYTSQ959 ICKGMEYLGT969 KRYIHRDLAT979 RNILVENENR989 VKIGDFGLTK 999 VLPQDKEYKV1010 KESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1008 or .A:1009 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6DRW JAK2 JH1 in complex with JNJ-7706621 (Crystal Form 2) | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [7] |
| PDB Sequence |
FQGDPTQFEE
846 RHLKFLQQLG856 KFGSVEMCRY868 DPLQDNTGEV878 VAVKKLQHST888 EEHLRDFERE 898 IEILKSLQHD908 NIVKYKGVCY918 SAGRRNLKLI928 MEYLPYGSLR938 DYLQKHKERI 948 DHIKLLQYTS958 QICKGMEYLG968 TKRYIHRDLA978 TRNILVENEN988 RVKIGDFGLT 998 KVLPQDKEYK1009 VKESPIFWYA1022 PESLTESKFS1032 VASDVWSFGV1042 VLYELFTYIE 1052 KSKSPPAEFM1062 RMIGNDKQGQ1072 MIVFHLIELL1082 KNNGRLPRPD1092 GCPDEIYMIM 1102 TECWNNNVNQ1112 RPSFRDLALR1122 VDQIRDNMA
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1008 or .A:1009 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3IOK 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [8] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGGSV863 EMCRYDPLQD873 NTGEVVAVKK883 LQHSTEEHLR893 DFEREIEILK 903 SLQHDNIVKY913 KGVCYSAGRR923 NLKLIMEYLP933 YGSLRDYLQK943 HKERIDHIKL 953 LQYTSQICKG963 MEYLGTKRYI973 HRDLATRNIL983 VENENRVKIG993 DFGLTKVLPQ 1003 DKEKVKEPGE1015 SPIFWYAPES1025 LTESKFSVAS1035 DVWSFGVVLY1045 ELFTYIEKSK 1055 SPPAEFMRMI1065 GNDKQGQMIV1075 FHLIELLKNN1085 GRLPRPDGCP1095 DEIYMIMTEC 1105 WNNNVNQRPS1115 FRDLALRVDQ1125 IRDNM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3KCK A Novel Chemotype of Kinase Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [9] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGGSV863 EMCRYDPLQD873 NTGEVVAVKK883 LQHSTEEHLR893 DFEREIEILK 903 SLQHDNIVKY913 KGVCYSAGRR923 NLKLIMEYLP933 YGSLRDYLQK943 HKERIDHIKL 953 LQYTSQICKG963 MEYLGTKRYI973 HRDLATRNIL983 VENENRVKIG993 DFGLTKVLPQ 1003 DKEKVKEPGE1015 SPIFWYAPES1025 LTESKFSVAS1035 DVWSFGVVLY1045 ELFTYIEKSK 1055 SPPAEFMRMI1065 GNDKQGQMIV1075 FHLIELLKNN1085 GRLPRPDGCP1095 DEIYMIMTEC 1105 WNNNVNQRPS1115 FRDLALRVDQ1125 IRDNM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3IO7 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [8] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGGSV863 EMCRYDPLQD873 NTGEVVAVKK883 LQHSTEEHLR893 DFEREIEILK 903 SLQHDNIVKY913 KGVCYSRNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 NM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3JY9 Janus Kinase 2 Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [10] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGGSV863 EMCRYDPLQD873 NTGEVVAVKK883 LQHSTEEHLR893 DFEREIEILK 903 SLQHDNIVKY913 KGVCYSRNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 NM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1028 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6WTO Human JAK2 JH1 domain in complex with Baricitinib | ||||||
| Method | X-ray diffraction | Resolution | 1.74 Å | Mutation | No | [11] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLT875 GEVVAVKKLQ885 HSTEEHLRDF895 EREIEILKSL 905 QHDNIVKYKG915 VCYLKLIMEY931 LPYGSLRDYL941 QKHKERIDHI951 KLLQYTSQIC 961 KGMEYLGTKR971 YIHRDLATRN981 ILVENENRVK991 IGDFGLTKVL1001 PQDKEKVKSP 1017 IFWYAPESLT1027 ESKFSVASDV1037 WSFGVVLYEL1047 FTYIEKSKSP1057 PAEFMRMIGN 1067 DKQGQMIVFH1077 LIELLKNNGR1087 LPRPDGCPDE1097 IYMIMTECWN1107 NNVNQRPSFR 1117 DLALRVDQIR1127 DNMAGGS
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6WTQ Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [11] |
| PDB Sequence |
LKFLQQLGSV
863 EMCRYDPLEV878 VAVKKLQHST888 EEHLRDFERE898 IEILKSLQHD908 NIVKYKGVCY 918 LKLIMEYLPY934 GSLRDYLQKH944 KERIDHIKLL954 QYTSQICKGM964 EYLGTKRYIH 974 RDLATRNILV984 ENENRVKIGD994 FGLTKVLPQD1004 KEKVKSPIFW1020 YAPESLTESK 1030 FSVASDVWSF1040 GVVLYELFTY1050 IEKSKSPPAE1060 FMRMIGNDKG1071 QMIVFHLIEL 1081 LKNNGRLPRP1091 DGCPDEIYMI1101 MTECWNNNVN1111 QRPSFRDLAL1121 RVDQIRDNMA 1131 GGS
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6WTN Human JAK2 JH1 domain in complex with Ruxolitinib | ||||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [11] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSRRN924 LKLIMEYLPY934 GSLRDYLQKH944 KERIDHIKLL 954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD994 FGLTKVLPQD 1004 KEKVESPIFW1020 YAPESLTESK1030 FSVASDVWSF1040 GVVLYELFTY1050 IEKSKSPPAE 1060 FMRMIGNDKQ1070 GQMIVFHLIE1080 LLKNNGRLPR1090 PDGCPDEIYM1100 IMTECWNNNV 1110 NQRPSFRDLA1120 LRVDQIRDNM1130 AGGSG
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:893 or .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6WTP Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [11] |
| PDB Sequence |
FEELKFLQQL
855 GKGNFGSVEM865 CRYDPLQDNT875 GEVVAVKKLQ885 HSTEEHLRDF895 EREIEILKSL 905 QHDNIVKYKG915 VCNLKLIMEY931 LPYGSLRDYL941 QKHKERIDHI951 KLLQYTSQIC 961 KGMEYLGTKR971 YIHRDLATRN981 ILVENENRVK991 IGDFGLTKVL1001 PQDEKVSPIF 1019 WYAPESLTES1029 KFSVASDVWS1039 FGVVLYELFT1049 YIEKSKSPPA1059 EFMRMIGNDK 1069 QGQMIVFHLI1079 ELLKNNGRLP1089 RPDGCPDEIY1099 MIMTECWNNN1109 VNQRPSFRDL 1119 ALRVDQIRDN1129 MAGG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VGL JAK2 JH1 in complex with ruxolitinib | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .D:1001 or .D:1002 or .D:1005 or .D:1006 or .D:1008 or .D:1009 or .D:1028 or .D:1030 or .D:1031 or .D:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VN8 JAK2 JH1 in complex with baricitinib | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNJ JAK2 JH1 in complex with PN4-014 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [12] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSAG921 RRNLKLIMEY931 LPYGSLRDYL941 QKHKERIDHI 951 KLLQYTSQIC961 KGMEYLGTKR971 YIHRDLATRN981 ILVENENRVK991 IGDFGLTKVL 1001 PQDKEYKVKE1012 PGESPIFWYA1022 PESLTESKFS1032 VASDVWSFGV1042 VLYELFTYIE 1052 KSKSPPAEFM1062 RMIGNDKQGQ1072 MIVFHLIELL1082 KNNGRLPRPD1092 GCPDEIYMIM 1102 TECWNNNVNQ1112 RPSFRDLALR1122 VDQIRDNMA
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNK JAK2 JH1 in complex with PN4-073 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .D:1001 or .D:1002 or .D:1005 or .D:1006 or .D:1008 or .D:1009 or .D:1030 or .D:1031 or .D:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VS3 JAK2 JH1 in complex with BL2-057 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1008 or .A:1009 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNF JAK2 JH1 in complex with MA9-086 | ||||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [12] |
| PDB Sequence |
PTQFEERHLK
850 FLQQLGKGNF860 GSVEMCRYDP870 LQDNTGEVVA880 VKKLQHSTEE890 HLRDFEREIE 900 ILKSLQHDNI910 VKYKGVCYSA920 GRRNLKLIME930 YLPYGSLRDY940 LQKHKERIDH 950 IKLLQYTSQI960 CKGMEYLGTK970 RYIHRDLATR980 NILVENENRV990 KIGDFGLTKV 1000 LPQDKEYKVK1011 EPGESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI 1051 EKSKSPPAEF1061 MRMIGNDKQG1071 QMIVFHLIEL1081 LKNNGRLPRP1091 DGCPDEIYMI 1101 MTECWNNNVN1111 QRPSFRDLAL1121 RVDQIRDNMA1131
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNI JAK2 JH1 in complex with PN3-115 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNB JAK2 JH1 in complex with BL2-084 | ||||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNM JAK2 JH1 in complex with SY5-103 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNC JAK2 JH1 in complex with BL2-096 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNE JAK2 JH1 in complex with Fedratinib | ||||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNH JAK2 JH1 in complex with PN2-123 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNL JAK2 JH1 in complex with SG3-179 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .D:1001 or .D:1002 or .D:1005 or .D:1006 or .D:1008 or .D:1009 or .D:1030 or .D:1031 or .D:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VNG JAK2 JH1 in complex with PN2-118 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .B:1001 or .B:1002 or .B:1005 or .B:1006 or .B:1008 or .B:1009 or .B:1030 or .B:1031 or .B:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6VSN JAK2 JH1 in complex with BL2-110 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [12] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEYKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .D:1001 or .D:1002 or .D:1005 or .D:1006 or .D:1008 or .D:1009 or .D:1030 or .D:1031 or .D:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5TQ6 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin | ||||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | Yes | [13] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI1051 EKSKSPPAEF 1061 MRMISIVTHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN1108 NVNQRPSFRD 1118 LALRVDQIRD1128 NMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5TQ7 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [13] |
| PDB Sequence |
PTQFEERHLK
850 FLQQLGKGNF860 GSVEMCRYDP870 LQDNTGEVVA880 VKKLQHEHLR893 DFEREIEILK 903 SLQHDNIVKY913 KGVCYSAGNL925 KLIMEYLPYG935 SLRDYLQKHK945 ERIDHIKLLQ 955 YTSQICKGME965 YLGTKRYIHR975 DLATRNILVE985 NENRVKIGDF995 GLTKVLPQDK 1005 EKVESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI1051 EKSKSPPAEF 1061 MRMIGSIVTH1077 LIELLKNNGR1087 LPRPDGCPDE1097 IYMIMTECWN1107 NNVNQRPSFR 1117 DLALRVDQVR1127 DNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 5TQ3 Design and Synthesis of a pan-JAK kinase inhibitor clinical candidate (PF-06263276) suitable for the treatment of inflammatory diseases of the lungs and skin | ||||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | Yes | [13] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEKVPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE1046 LFTYIEKSKS 1056 PPAEFMRMIG1066 NQSIVTHLIE1080 LLKNNGRLPR1090 PDGCPDEIYM1100 IMTECWNNNV 1110 NQRPSFRDLA1120 LRVDQVRDNM1130 AG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3RVG Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [14] |
| PDB Sequence |
PTQFEERHLK
850 FLQQLGKGNF860 GSVEMCRYDP870 LQDNTGEVVA880 VKKLQHSTEE890 HLRDFEREIE 900 ILKSLQHDNI910 VKYKGVCYSA920 GRRNLKLIME930 YLPYGSLRDY940 LQKHKERIDH 950 IKLLQYTSQI960 CKGMEYLGTK970 RYIHRDLATR980 NILVENENRV990 KIGDFGLTKV 1000 LPQDKEKVSP1017 IFWYAPESLT1027 ESKFSVASDV1037 WSFGVVLYEL1047 FTYIEKSKSP 1057 PAEFMRMIGN1067 DKQGQMIVFH1077 LIELLKNNGR1087 LPRPDGCPDE1097 IYMIMTECWN 1107 NNVNQRPSFR1117 DLALRVDQIR1127 DNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4E4M JAK2 kinase (JH1 domain) in complex with compound 30 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [15] |
| PDB Sequence |
AFEDRDPTQF
844 EERHLKFLQQ854 LGKGNFGSVE864 MCRYDPLQDN874 TGEVVAVKKL884 QHSTEEHLRD 894 FEREIEILKS904 LQHDNIVKYK914 GVCYSAGRRN924 LKLIMEYLPY934 GSLRDYLQKH 944 KERIDHIKLL954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD 994 FGLTKVLPQD1004 KEKVKEPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE 1046 LFTYIEKSKS1056 PPAEFMRMIG1066 NDKQGQMIVF1076 HLIELLKNNG1086 RLPRPDGCPD 1096 EIYMIMTECW1106 NNNVNQRPSF1116 RDLALRVDQI1126 RDNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:973 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4GFM JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [16] |
| PDB Sequence |
DPTQFEERHL
849 KFLQQLGKGN859 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYS919 AGRRNLKLIM929 EYLPYGSLRD939 YLQKHKERID 949 HIKLLQYTSQ959 ICKGMEYLGT969 KRYIHRDLAT979 RNILVENENR989 VKIGDFGLTK 999 VLPQDKEKVK1011 EPGESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI 1051 EKSKSPPAEF1061 MRMIGNDKQG1071 QMIVFHLIEL1081 LKNNGRLPRP1091 DGCPDEIYMI 1101 MTECWNNNVN1111 QRPSFRDLAL1121 RVDQIRDNM
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4F09 Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [17] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEKVKEPG1014 ESPIFWYAPE1024 SLTESKFSVA1034 SDVWSFGVVL1044 YELFTYIEKS 1054 KSPPAEFMRM1064 IGNDKQGQMI1074 VFHLIELLKN1084 NGRLPRPDGC1094 PDEIYMIMTE 1104 CWNNNVNQRP1114 SFRDLALRVD1124 QIRDNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4GMY JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [16] |
| PDB Sequence |
SGAFEDRDPT
842 QFEERHLKFL852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL 892 RDFEREIEIL902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ 942 KHKERIDHIK952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI 992 GDFGLTKVLP1002 QDKEKVKEPG1014 ESPIFWYAPE1024 SLTESKFSVA1034 SDVWSFGVVL 1044 YELFTYIEKS1054 KSPPAEFMRM1064 IGNDKQGQMI1074 VFHLIELLKN1084 NGRLPRPDGC 1094 PDEIYMIMTE1104 CWNNNVNQRP1114 SFRDLALRVD1124 QIRDNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5HEZ JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 | ||||||
| Method | X-ray diffraction | Resolution | 2.66 Å | Mutation | Yes | [18] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSAR923 NLKLIMEYLP933 YGSLRDYLQK943 HKERIDHIKL 953 LQYTSQICKG963 MEYLGTKRYI973 HRDLATRNIL983 VENENRVKIG993 DFGLTKVLPQ 1003 DKEKVKEPGE1015 SPIFWYAPES1025 LTESKFSVAS1035 DVWSFGVVLY1045 ELFTYIEKSK 1055 SAPAEFMRMI1065 GNDKQGQMIV1075 FHLIELLKNN1085 GRLPRPDGCP1095 DEIYMIMTEC 1105 WNNNVNQRPS1115 FRDLALRVDQ1125 IRDNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4F08 Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2 | ||||||
| Method | X-ray diffraction | Resolution | 2.82 Å | Mutation | No | [17] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEKVKEPG1014 ESPIFWYAPE1024 SLTESKFSVA1034 SDVWSFGVVL1044 YELFTYIEKS 1054 KSPPAEFMRM1064 IGNDKQGQMI1074 VFHLIELLKN1084 NGRLPRPDGC1094 PDEIYMIMTE 1104 CWNNNVNQRP1114 SFRDLALRVD1124 QIRDNMAG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5CF8 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [19] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 NMAGH
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4AQC Triazolopyridine-based Inhibitor of Janus Kinase 2 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [20] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSAG921 RRNLKLIMEY931 LPYGSLRDYL941 QKHKERIDHI 951 KLLQYTSQIC961 KGMEYLGTKR971 YIHRDLATRN981 ILVENENRVK991 IGDFGLTKVL 1001 PQDKEKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3Q32 Structure of Janus kinase 2 with a pyrrolotriazine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [21] |
| PDB Sequence |
DPTQFEERHL
849 KFLQQLGKGN859 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYS919 AGRRNLKLIM929 EYLPYGSLRD939 YLQKHKERID 949 HIKLLQYTSQ959 ICKGMEYLGT969 KRYIHRDLAT979 RNILVENENR989 VKIGDFGLTK 999 VLPQDKEKVK1011 EPGESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI 1051 EKSKSPPAEF1061 MRMIGNDKQG1071 QMIVFHLIEL1081 LKNNGRLPRP1091 DGCPDEIYMI 1101 MTECWNNNVN1111 QRPSFRDLAL1121 RVDQIRDNMA1131 G
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4IVA JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [22] |
| PDB Sequence |
PTQFEERHLK
850 FLQQLGKGNF860 GSVEMCRYDP870 LQDNTGEVVA880 VKKLQHSTEE890 HLRDFEREIE 900 ILKSLQHDNI910 VKYKGVCYSA920 GRRNLKLIME930 YLPYGSLRDY940 LQKHKERIDH 950 IKLLQYTSQI960 CKGMEYLGTK970 RYIHRDLATR980 NILVENENRV990 KIGDFGLTKV 1000 LPQDKEKVKE1012 PGESPIFWYA1022 PESLTESKFS1032 VASDVWSFGV1042 VLYELFTYIE 1052 KSKSPPAEFM1062 RMIGNDKQGQ1072 MIVFHLIELL1082 KNNGRLPRPD1092 GCPDEIYMIM 1102 TECWNNNVNQ1112 RPSFRDLALR1122 VDQIRDNMAG1132
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4JIA JAK2 kinase (JH1 domain) in complex with compound 9 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [23] |
| PDB Sequence |
SGAFEDRDPT
842 QFEERHLKFL852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL 892 RDFEREIEIL902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ 942 KHKERIDHIK952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI 992 GDFGLTKVLP1002 QDKEKVKEPG1014 ESPIFWYAPE1024 SLTESKFSVA1034 SDVWSFGVVL 1044 YELFTYIEKS1054 KSPPAEFMRM1064 IGNDKQGQMI1074 VFHLIELLKN1084 NGRLPRPDGC 1094 PDEIYMIMTE1104 CWNNNVNQRP1114 SFRDLALRVD1124 QIRDNMAG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:973 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4HGE JAK2 kinase (JH1 domain) in complex with compound 8 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [24] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 NMAG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4JI9 JAK2 kinase (JH1 domain) in complex with TG101209 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [23] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 NMAG
|
|||||
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6AAJ Crystal structure of JAK2 in complex with peficitinib | ||||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | Yes | [25] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQSTEEHLR893 DFEREIEILK 903 SLQHDNIVKY913 KGVCYSNLKL927 IMEYLPYGSL937 RDYLQAHAER947 IDHIKLLQYT 957 SQICKGMEYL967 GTKRYIHRDL977 ATRNILVENE987 NRVKIGDFGL997 TKVLPQDKEK 1009 VKEPGESPIF1019 WYAPESLTES1029 KFSVASDVWS1039 FGVVLYELFT1049 YIEKSKSPPA 1059 EFMRMIGNDK1069 QGQMIVFHLI1079 ELLKNNGRLP1089 RPDGCPDEIY1099 MIMTECWNNN 1109 VNQRPSFRDL1119 ALRVDQIRDN1129 M
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4D1S Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [26] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSAGR922 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEKVSPIF1019 WYAPESLTES1029 KFSVASDVWS1039 FGVVLYELFT1049 YIESKSPPAE 1060 FMRMIGNDKQ1070 GQMIVFHLIE1080 LLKNNGRLPR1090 PDGCPDEIYM1100 IMTECWNNNV 1110 NQRPSFRDLA1120 LRVDQIRDNM1130
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6X8E Crystal structure of JAK2 with Compound 11 | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [27] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSRRN924 LKLIMEYLPY934 GSLRDYLQKH944 KERIDHIKLL 954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD994 FGLTKVLPQD 1004 KEKVKSPIFW1020 YAPESLTESK1030 FSVASDVWSF1040 GVVLYELFTY1050 IEKSKSPPAE 1060 FMRMIIVTHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN1108 NVNQRPSFRD 1118 LALRVDQIRD1128 NM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4D0W Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [26] |
| PDB Sequence |
RDPTQFEERH
848 LKFLQQLGKG858 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYS919 AGRRNLKLIM929 EYLPYGSLRD939 YLQKHKERID 949 HIKLLQYTSQ959 ICKGMEYLGT969 KRYIHRDLAT979 RNILVENENR989 VKIGDFGLTK 999 VLPQDKEKVK1011 EPGESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI 1051 EKSKSPPAEF1061 MRMIGNDKQG1071 QMIVFHLIEL1081 LKNNGRLPRP1091 DGCPDEIYMI 1101 MTECWNNNVN1111 QRPSFRDLAL1121 RVDQIRDNM
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4D0X Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [26] |
| PDB Sequence |
RDPTQFEERH
848 LKFLQQLGKG858 NFGSVEMCRY868 DPLQDNTGEV878 VAVKKLQHST888 EEHLRDFERE 898 IEILKSLQHD908 NIVKYKGVCY918 SAGRRNLKLI928 MEYLPYGSLR938 DYLQKHKERI 948 DHIKLLQYTS958 QICKGMEYLG968 TKRYIHRDLA978 TRNILVENEN988 RVKIGDFGLT 998 KVLPQDKEKV1010 KEPGESPIFW1020 YAPESLTESK1030 FSVASDVWSF1040 GVVLYELFTY 1050 IEKSKSPPAE1060 FMRMIGNDKQ1070 GQMIVFHLIE1080 LLKNNGRLPR1090 PDGCPDEIYM 1100 IMTECWNNNV1110 NQRPSFRDLA1120 LRVDQIRDNM1130 A
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1028 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4E6Q JAK2 kinase (JH1 domain) triple mutant in complex with compound 12 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [15] |
| PDB Sequence |
AFEDRDPTQF
844 EERHLKFLRQ854 LGKGNFGSVE864 MCRYDPLQDN874 TGEVVAVKKL884 QHSTEEHLRD 894 FEREIEILKS904 LQHDNIVKYK914 GVCYSAGRRN924 LKLIMEFLPY934 GSLREYLQKH 944 KERIDHIKLL954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD 994 FGLTKVLPQD1004 KEKVKEPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE 1046 LFTYIEKSKS1056 PPAEFMRMIG1066 NDKQGQMIVF1076 HLIELLKNNG1086 RLPRPDGCPD 1096 EIYMIMTECW1106 NNNVNQRPSF1116 RDLALRVDQI1126 RDNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:973 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 5AEP Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [28] |
| PDB Sequence |
DPTQFEERHL
849 KFLQQLGKGN859 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYS919 RNLKLIMEYL932 PYGSLRDYLQ942 KHKERIDHIK 952 LLQYTSQICK962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP 1002 QDKEKVKEPG1014 ESPIFWYAPE1024 SLTESKFSVA1034 SDVWSFGVVL1044 YELFTYIEKS 1054 KSPPAEFMRM1064 IGNDKQGQMI1074 VFHLIELLKN1084 NGRLPRPDGC1094 PDEIYMIMTE 1104 CWNNNVNQRP1114 SFRDLALRVD1124 QIRDNMA
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:973 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2XA4 Inhibitors of Jak2 Kinase domain | ||||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | Yes | [29] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKFGSVE864 MCRYDPLQDN874 TGEVVAVKKL884 QHSTEEHLRD894 FEREIEILKS 904 LQHDNIVKYK914 GVCYSNLKLI928 MEYLPYGSLR938 DYLQAHAERI948 DHIKLLQYTS 958 QICKGMEYLG968 TKRYIHRDLA978 TRNILVENEN988 RVKIGDFGLT998 KVLPQDKEKV 1010 ESPIFWYAPE1024 SLTESKFSVA1034 SDVWSFGVVL1044 YELFTYIEKS1054 KSPPAEFMRM 1064 IGNDKQGQMI1074 VFHLIELLKN1084 NGRLPRPDGC1094 PDEIYMIMTE1104 CWNNNVNQRP 1114 SFRDLALRVD1124 QIRDNM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:893 or .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4E6D JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 | ||||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | Yes | [15] |
| PDB Sequence |
DPTQFEERHL
849 KFLRQLGKGN859 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYN924 LKLIMEFLPY934 GSLREYLQKH944 KERIDHIKLL 954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD994 FGLTKVLPQD 1004 KEKVKEPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE1046 LFTYIEKSKS 1056 PPAEFMRMIG1066 NDKQGQMIVF1076 HLIELLKNNG1086 RLPRPDGCPD1096 EIYMIMTECW 1106 NNNVNQRPSF1116 RDLALRVDQI1126 RDNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 5TQ4 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [13] |
| PDB Sequence |
PTQFEERHLK
850 FLQQLGKGNF860 GSVEMCRYDP870 LQDNTGEVVA880 VKKLQHSTEE890 HLRDFEREIE 900 ILKSLQHDNI910 VKYKGVCYSA920 GRRNLKLIME930 YLPYGSLRDY940 LQKHKERIDH 950 IKLLQYTSQI960 CKGMEYLGTK970 RYIHRDLATR980 NILVENENRV990 KIGDFGLTKV 1000 LPQDKEKVKE1012 PGESPIFWYA1022 PESLTESKFS1032 VASDVWSFGV1042 VLYELFTYIE 1052 KSKSPPAEFM1062 RMIGNDKQGQ1072 SIVTHLIELL1082 KNNGRLPRPD1092 GCPDEIYMIM 1102 TECWNNNVNQ1112 RPSFRDLALR1122 VDQIRDNMAG1132
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1011 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3TJC Co-crystal structure of jak2 with thienopyridine 8 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [30] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 NMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4C61 Inhibitors of Jak2 Kinase domain | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [31] |
| PDB Sequence |
FEERHLKFLQ
853 QLGGSVEMCR867 YDPLQDNTGE877 VVAVKKLQHS887 TEEHLRDFER897 EIEILKSLQH 907 DNIVKYKGVC917 YNLKLIMEYL932 PYGSLRDYLQ942 AHAERIDHIK952 LLQYTSQICK 962 GMEYLGTKRY972 IHRDLATRNI982 LVENENRVKI992 GDFGLTKVLP1002 QDKEKVESPI 1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP1058 AEFMRMIGND 1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN1108 NVNQRPSFRD 1118 LALRVDQIRD1128 QM
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:894 or .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3ZMM Inhibitors of Jak2 Kinase domain | ||||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | Yes | [32] |
| PDB Sequence |
FEERHLKFLQ
853 QLGGSVEMCR867 YDPLQDNTGE877 VVAVKKLQHS887 TEEHLRDFER897 EIEILKSLQH 907 DNIVKYKGVC917 YRNLKLIMEY931 LPYGSLRDYL941 QAHAERIDHI951 KLLQYTSQIC 961 KGMEYLGTKR971 YIHRDLATRN981 ILVENENRVK991 IGDFGLTKVL1001 PQDKEKVESP 1017 IFWYAPESLT1027 ESKFSVASDV1037 WSFGVVLYEL1047 FTYIEKSKSP1057 PAEFMRMIGN 1067 DKQGQMIVFH1077 LIELLKNNGR1087 LPRPDGCPDE1097 IYMIMTECWN1107 NNVNQRPSFR 1117 DLALRVDQIR1127 DQM
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4C62 Inhibitors of Jak2 Kinase domain | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | Yes | [31] |
| PDB Sequence |
FEERHLKFLQ
853 QLGGSVEMCR867 YDPLQDNTGE877 VVAVKKLQHS887 TEEHLRDFER897 EIEILKSLQH 907 DNIVKYKGVC917 YRNLKLIMEY931 LPYGSLRDYL941 QAHAERIDHI951 KLLQYTSQIC 961 KGMEYLGTKR971 YIHRDLATRN981 ILVENENRVK991 IGDFGLTKVL1001 PQDKEKVESP 1017 IFWYAPESLT1027 ESKFSVASDV1037 WSFGVVLYEL1047 FTYIEKSKSP1057 PAEFMRMIGN 1067 DKQGQMIVFH1077 LIELLKNNGR1087 LPRPDGCPDE1097 IYMIMTECWN1107 NNVNQRPSFR 1117 DLALRVDQIR1127 DQM
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3TJD co-crystal structure of Jak2 with thienopyridine 19 | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [30] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 NMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7LL4 High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-114. | ||||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [33] |
| PDB Sequence |
AFARDPTQFE
845 ERHLKFLQQL855 GKGNFGSVEM865 CRYDPLQDNT875 GEVVAVKKLQ885 HSTEEHLRDF 895 EREIEILKSL905 QHDNIVKYKG915 VCYSAGRRNL925 KLIMEYLPYG935 SLRDYLQKHK 945 ERIDHIKLLQ955 YTSQICKGME965 YLGTKRYIHR975 DLATRNILVE985 NENRVKIGDF 995 GLTKVLPQDK1005 EYKVKEPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE 1046 LFTYIEKSKS1056 PPAEFMRMIG1066 NDKQGQMIVF1076 HLIELLKNNG1086 RLPRPDGCPD 1096 EIYMIMTECW1106 NNNVNQRPSF1116 RDLALRVDQI1126 RDNMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:973 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1008 or .A:1009 or .A:1030 or .A:1031 or .A:1032 or .A:1033; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7REE High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059 | ||||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [34] |
| PDB Sequence |
AFARDPTQFE
845 ERHLKFLQQL855 GKGNFGSVEM865 CRYDPLQDGE877 VVAVKKLQHS887 TEEHLRDFER 897 EIEILKSLQH907 DNIVKYKGVC917 YSAGRRNLKL927 IMEYLPYGSL937 RDYLQKHKER 947 IDHIKLLQYT957 SQICKGMEYL967 GTKRYIHRDL977 ATRNILVENE987 NRVKIGDFGL 997 TKVLPQDKEY1008 KVKEPSPIFW1020 YAPESLTESK1030 FSVASDVWSF1040 GVVLYELFTY 1050 IEKSKSPPAE1060 FMRMIGNDKQ1070 GQMIVFHLIE1080 LLKNNGRLPR1090 PDGCPDEIYM 1100 IMTECWNNNV1110 NQRPSFRDLA1120 LRVDQIRDNM1130
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1008 or .A:1009 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4YTF Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [35] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGGSV863 EMCRYDPLQD873 NTGEVVAVKK883 LQHSTEEHLR893 DFEREIEILK 903 SLQHDNIVKY913 KGVCYSRRNL925 KLIMEYLPYG935 SLRDYLQKHK945 ERIDHIKLLQ 955 YTSQICKGME965 YLGTKRYIHR975 DLATRNILVE985 NENRVKIGDF995 GLTKVLPQDK 1005 EKVKEPGESP1017 IFWYAPESLT1027 ESKFSVASDV1037 WSFGVVLYEL1047 FTYIEKSKSP 1057 PAEFMRMIGN1067 DKQGQMIVFH1077 LIELLKNNGR1087 LPRPDGCPDE1097 IYMIMTECWN 1107 NNVNQRPSFR1117 DLALRVDQIR1127 DNM
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1028 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4YTH Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases | ||||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [35] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSAG921 RRNLKLIMEY931 LPYGSLRDYL941 QKHKERIDHI 951 KLLQYTSQIC961 KGMEYLGTKR971 YIHRDLATRN981 ILVENENRVK991 IGDFGLTKVL 1001 PQDKEKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4YTC Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease | ||||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [35] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGGSV863 EMCRYDPLQD873 NTGEVVAVKK883 LQHSTEEHLR893 DFEREIEILK 903 SLQHDNIVKY913 KGVCYSARRN924 LKLIMEYLPY934 GSLRDYLQKH944 KERIDHIKLL 954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD994 FGLTKVLPQD 1004 KEKVKEPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE1046 LFTYIEKSKS 1056 PPAEFMRMIG1066 NDKQGQMIVF1076 HLIELLKNNG1086 RLPRPDGCPD1096 EIYMIMTECW 1106 NNNVNQRPSF1116 RDLALRVDQI1126 RDNM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:894 or .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4YTI Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease | ||||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [35] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSRN924 LKLIMEYLPY934 GSLRDYLQKH944 KERIDHIKLL 954 QYTSQICKGM964 EYLGTKRYIH974 RDLATRNILV984 ENENRVKIGD994 FGLTKVLPQD 1004 KEKVKEPGES1016 PIFWYAPESL1026 TESKFSVASD1036 VWSFGVVLYE1046 LFTYIEKSKS 1056 PPAEFMRMIG1066 NDKQGQMIVF1076 HLIELLKNNG1086 RLPRPDGCPD1096 EIYMIMTECW 1106 NNNVNQRPSF1116 RDLALRVDQI1126 RDNM
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:893 or .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3KRR Crystal Structure of JAK2 complexed with a potent quinoxaline ATP site inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [36] |
| PDB Sequence |
SDPTQFEERH
848 LKFLQQLGKG858 NFGSVEMCRY868 DPLQDNTGEV878 VAVKKLQHST888 EEHLRDFERE 898 IEILKSLQHD908 NIVKYKGVCY918 SAGRRNLKLI928 MEYLPYGSLR938 DYLQKHKERI 948 DHIKLLQYTS958 QICKGMEYLG968 TKRYIHRDLA978 TRNILVENEN988 RVKIGDFGLT 998 KVLPQDKEKV1010 KEPGESPIFW1020 YAPESLTESK1030 FSVASDVWSF1040 GVVLYELFTY 1050 IEKSKSPPAE1060 FMRMIGNDKQ1070 GQMIVFHLIE1080 LLKNNGRLPR1090 PDGCPDEIYM 1100 IMTECWNNNV1110 NQRPSFRDLA1120 LRVDQIRDNM1130 A
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3LPB Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [37] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT1103 ECWNNNVNQR 1113 PSFRDLALRV1123 DQIRDNMA
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7LL5 High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150. | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [38] |
| PDB Sequence |
DPTQFEERHL
849 KFLQQLGKGN859 FGSVEMCRYD869 PLQDGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSAG921 RRNLKLIMEY931 LPYGSLRDYL941 QKHKERIDHI 951 KLLQYTSQIC961 KGMEYLGTKR971 YIHRDLATRN981 ILVENENRVK991 IGDFGLTKVL 1001 PQDKEYKVKE1012 PGESPIFWYA1022 PESLTESKFS1032 VASDVWSFGV1042 VLYELFTYIE 1052 KSKSPPAEFM1062 RMIGNDKQGQ1072 MIVFHLIELL1082 KNNGRLPRPD1092 GCPDEIYMIM 1102 TECWNNNVNQ1112 RPSFRDLALR1122 VDQIRDNMAG1132
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:973 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1008 or .A:1009 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3E64 Fragment based discovery of JAK-2 inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [39] |
| PDB Sequence |
RDPTQFEERH
848 LKFLQQLGKG858 NFGSVEMCRY868 DPLQDNTGEV878 VAVKKLQHST888 EEHLRDFERE 898 IEILKSLQHD908 NIVKYKGVCY918 SAGRRNLKLI928 MEYLPYGSLR938 DYLQKHKERI 948 DHIKLLQYTS958 QICKGMEYLG968 TKRYIHRDLA978 TRNILVENEN988 RVKIGDFGLT 998 KVLPQDKEKV1010 KEPGESPIFW1020 YAPESLTESK1030 FSVASDVWSF1040 GVVLYELFTY 1050 IEKSKSPPAE1060 FMRMIGNDKQ1070 GQMIVFHLIE1080 LLKNNGRLPR1090 PDGCPDEIYM 1100 IMTECWNNNV1110 NQRPSFRDLA1120 LRVDQIRDNM1130 A
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3E63 Fragment based discovery of JAK-2 inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [39] |
| PDB Sequence |
DPTQFEERHL
849 KFLQQLGKGN859 FGSVEMCRYD869 PLQDNTGEVV879 AVKKLQHSTE889 EHLRDFEREI 899 EILKSLQHDN909 IVKYKGVCYS919 AGRRNLKLIM929 EYLPYGSLRD939 YLQKHKERID 949 HIKLLQYTSQ959 ICKGMEYLGT969 KRYIHRDLAT979 RNILVENENR989 VKIGDFGLTK 999 VLPQDKEKVK1011 EPGESPIFWY1021 APESLTESKF1031 SVASDVWSFG1041 VVLYELFTYI 1051 EKSKSPPAEF1061 MRMIGNDKQG1071 QMIVFHLIEL1081 LKNNGRLPRP1091 DGCPDEIYMI 1101 MTECWNNNVN1111 QRPSFRDLAL1121 RVDQIRDNMA1131
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:975 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3E62 Fragment based discovery of JAK-2 inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [39] |
| PDB Sequence |
RDPTQFEERH
848 LKFLQQLGKG858 NFGSVEMCRY868 DPLQDNTGEV878 VAVKKLQHST888 EEHLRDFERE 898 IEILKSLQHD908 NIVKYKGVCY918 SAGRRNLKLI928 MEYLPYGSLR938 DYLQKHKERI 948 DHIKLLQYTS958 QICKGMEYLG968 TKRYIHRDLA978 TRNILVENEN988 RVKIGDFGLT 998 KVLPQDKEKV1010 KEPGESPIFW1020 YAPESLTESK1030 FSVASDVWSF1040 GVVLYELFTY 1050 IEKSKSPPAE1060 FMRMIGNDKQ1070 GQMIVFHLIE1080 LLKNNGRLPR1090 PDGCPDEIYM 1100 IMTECWNNNV1110 NQRPSFRDLA1120 LRVDQIRDNM1130 A
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2B7A The structural basis of Janus Kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [40] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 QMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3FUP Crystal structures of JAK1 and JAK2 inhibitor complexes | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [41] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGND1068 KQGQMIVFHL1078 IELLKNNGRL1088 PRPDGCPDEI1098 YMIMTECWNN 1108 NVNQRPSFRD1118 LALRVDQIRD1128 QMAG
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4P7E Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [42] |
| PDB Sequence |
QFEERHLKFL
852 QQLGKGNFGS862 VEMCRYDPLQ872 DNTGEVVAVK882 KLQHSTEEHL892 RDFEREIEIL 902 KSLQHDNIVK912 YKGVCYSNLK926 LIMEYLPYGS936 LRDYLQKHKE946 RIDHIKLLQY 956 TSQICKGMEY966 LGTKRYIHRD976 LATRNILVEN986 ENRVKIGDFG996 LTKVLPQDKE 1006 KVKEPGESPI1018 FWYAPESLTE1028 SKFSVASDVW1038 SFGVVLYELF1048 TYIEKSKSPP 1058 AEFMRMIGNG1071 QMIVFHLIEL1081 LKNNGRLPRP1091 DGCPDEIYMI1101 MTECWNNNVN 1111 QRPSFRDLAL1121 RVDQIRDQMA1131 G
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:897 or .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7UYW Crystal structure of JAK2 kinase domain in complex with compound 30 | ||||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [43] |
| PDB Sequence |
TQFEERHLKF
851 LQQLGKGNFG861 SVEMCRYDPL871 QDNTGEVVAV881 KKLQHSTEEH891 LRDFEREIEI 901 LKSLQHDNIV911 KYKGVCYSAG921 RRNLKLIMEY931 LPYGSLRDYL941 QKHKERIDHI 951 KLLQYTSQIC961 KGMEYLGTKR971 YIHRDLATRN981 ILVENENRVK991 IGDFGLTKVL 1001 PQDKEKVKEP1013 GESPIFWYAP1023 ESLTESKFSV1033 ASDVWSFGVV1043 LYELFTYIEK 1053 SKSPPAEFMR1063 MIGNDKQGQM1073 IVFHLIELLK1083 NNGRLPRPDG1093 CPDEIYMIMT 1103 ECWNNNVNQR1113 PSFRDLALRV1123 DQIRDNMA
|
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1005 or .A:1006 or .A:1009 or .A:1010 or .A:1029 or .A:1030 or .A:1031 or .A:1032; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity. J Med Chem. 2009 Jan 22;52(2):379-88. | ||||
| REF 2 | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors. ACS Med Chem Lett. 2015 Jul 10;6(8):845-9. | ||||
| REF 3 | 9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors. Bioorg Med Chem Lett. 2015 Jul 15;25(14):2809-12 | ||||
| REF 4 | Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model. Bioorg Med Chem Lett. 2017 Sep 15;27(18):4370-4376. | ||||
| REF 5 | Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism. J Med Chem. 2022 Jan 13;65(1):633-664. | ||||
| REF 6 | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. ACS Med Chem Lett. 2017 May 17;8(6):618-621. | ||||
| REF 7 | JAK2 JH2 Binders | ||||
| REF 8 | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6529-33. | ||||
| REF 9 | A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors. Bioorg Med Chem Lett. 2010 Jan 1;20(1):153-6. | ||||
| REF 10 | Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole. J Med Chem. 2009 Dec 24;52(24):7938-41. | ||||
| REF 11 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood. 2021 Dec 9;138(23):2313-2326. | ||||
| REF 12 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J Med Chem. 2021 Feb 25;64(4):2228-2241. | ||||
| REF 13 | Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin. J Med Chem. 2017 Jan 26;60(2):767-786. | ||||
| REF 14 | Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders. J Med Chem. 2011 Oct 27;54(20):7334-49. | ||||
| REF 15 | Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors. J Med Chem. 2012 Jun 28;55(12):5901-21. | ||||
| REF 16 | Lead identification of novel and selective TYK2 inhibitors. Eur J Med Chem. 2013 Sep;67:175-87. | ||||
| REF 17 | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J Med Chem. 2012 Jul 12;55(13):6176-93. | ||||
| REF 18 | Resolving TYK2 locus genotype-to-phenotype differences in autoimmunity. Sci Transl Med. 2016 Nov 2;8(363):363ra149. | ||||
| REF 19 | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. ACS Med Chem Lett. 2015 Jul 12;6(8):850-5. | ||||
| REF 20 | A selective, orally bioavailable 1,2,4-triazolo[1,5-a]pyridine-based inhibitor of Janus kinase 2 for use in anticancer therapy: discovery of CEP-33779. J Med Chem. 2012 Jun 14;55(11):5243-54. | ||||
| REF 21 | Pyrrolo[1,2-f]triazines as JAK2 inhibitors: achieving potency and selectivity for JAK2 over JAK3. Bioorg Med Chem Lett. 2011 Mar 1;21(5):1425-8. | ||||
| REF 22 | Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2. J Med Chem. 2013 Jun 13;56(11):4764-85. | ||||
| REF 23 | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors. Bioorg Med Chem Lett. 2013 Sep 1;23(17):5014-21. | ||||
| REF 24 | Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J Med Chem. 2012 Nov 26;55(22):10090-107. | ||||
| REF 25 | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor. Bioorg Med Chem. 2018 Oct 1;26(18):4971-4983. | ||||
| REF 26 | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors. Bioorg Med Chem. 2014 Sep 1;22(17):4998-5012. | ||||
| REF 27 | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases. J Med Chem. 2020 Nov 25;63(22):13561-13577. | ||||
| REF 28 | Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders. Bioorg Med Chem. 2015 May 15;23(10):2387-407. | ||||
| REF 29 | Discovery of 5-chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (AZD1480) as a novel inhibitor of the Jak/Stat pathway. J Med Chem. 2011 Jan 13;54(1):262-76. | ||||
| REF 30 | Discovery of potent and highly selective thienopyridine Janus kinase 2 inhibitors. J Med Chem. 2011 Dec 22;54(24):8440-50. | ||||
| REF 31 | Discovery of 1-methyl-1H-imidazole derivatives as potent Jak2 inhibitors. J Med Chem. 2014 Jan 9;57(1):144-58. | ||||
| REF 32 | Discovery of novel Jak2-Stat pathway inhibitors with extended residence time on target. Bioorg Med Chem Lett. 2013 May 15;23(10):3105-10. | ||||
| REF 33 | High-resolution crystal structure of human Janus Kinase 2 kinase domain (JH1) bound to PN5-114. | ||||
| REF 34 | High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059. | ||||
| REF 35 | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases. J Med Chem. 2015 Sep 24;58(18):7195-216. | ||||
| REF 36 | Potent and selective inhibition of polycythemia by the quinoxaline JAK2 inhibitor NVP-BSK805. Mol Cancer Ther. 2010 Jul;9(7):1945-55. | ||||
| REF 37 | Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2609-13. | ||||
| REF 38 | High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150. | ||||
| REF 39 | Fragment-based discovery of JAK-2 inhibitors. Bioorg Med Chem Lett. 2009 Jan 1;19(1):279-82. | ||||
| REF 40 | The structural basis of Janus kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor. Blood. 2006 Jan 1;107(1):176-83. | ||||
| REF 41 | Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains. J Mol Biol. 2009 Mar 20;387(1):219-32. | ||||
| REF 42 | Triazolopyridines as selective JAK1 inhibitors: from hit identification to GLPG0634. J Med Chem. 2014 Nov 26;57(22):9323-42. | ||||
| REF 43 | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg Med Chem Lett. 2022 Oct 1;73:128891. | ||||
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