Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T39486 | Target Info | |||
| Target Name | Dual-specificity tyrosine-phosphorylation regulated kinase 2 (DYRK2) | ||||
| Synonyms | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | DYRK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | L-serine-O-phosphate | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | ||||
| InChIKey | BZQFBWGGLXLEPQ-REOHCLBHSA-N | ||||
| PubChem Compound ID | 68841 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6HDR Human DYRK2 bound to Curcumin | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
HHHSGVDLGT
65 ENLYFQSMGK75 VKATPMTPEQ85 AMKQYMQKLT95 AFEHHEIFSY105 PEIYFLGLNA 115 KKRQGMTGGP125 NNGGYDDDQG135 SYVQVPHDHV145 AYRYEVLKVI155 GKGSFGQVVK 165 AYDHKVHQHV175 ALKMVRNEKR185 FHRQAAEEIR195 ILEHLRKQDK205 DNTMNVIHML 215 ENFTFRNHIC225 MTFELLSMNL235 YELIKKNKFQ245 GFSLPLVRKF255 AHSILQCLDA 265 LHKNRIIHCD275 LKPENILLKQ285 QGRSGIKVID295 FGSSCYEHQR305 VYTIQSRFYR 316 APEVILGARY326 GMPIDMWSLG336 CILAELLTGY346 PLLPGEDEGD356 QLACMIELLG 366 MPSQKLLDAS376 KRAKNFVSKG387 YPRYCTVTTL397 SDVVLNGGRS409 RRGKLRGPPE 419 SREWGNALKG429 CDDPLFLDFL439 KQCLEWDPAV449 RMTPGQALRH459 PWLR |
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| PDB ID: 3KVW Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | ||||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [2] |
| PDB Sequence |
HHSGVDLGTE
-6 NLYFQSMGKV76 KATPMTPEQA86 MKQYMQKLTA96 FEHHEIFSYP106 EIYFLGLNAK 116 KRQGMTGGPN126 NGGYDDDQGS136 YVQVPHDHVA146 YRYEVLKVIG156 KGSFGQVVKA 166 YDHKVHQHVA176 LKMVRNEKRF186 HRQAAEEIRI196 LEHLRKQDKD206 NTMNVIHMLE 216 NFTFRNHICM226 TFELLSMNLY236 ELIKKNKFQG246 FSLPLVRKFA256 HSILQCLDAL 266 HKNRIIHCDL276 KPENILLKQQ286 GRSGIKVIDF296 GSSCYEHQRV306 YTIQSRFYRA 317 PEVILGARYG327 MPIDMWSLGC337 ILAELLTGYP347 LLPGEDEGDQ357 LACMIELLGM 367 PSQKLLDASK377 RAKNFVSKGY388 PRYCTVTTLS398 DVVLNGGRSR410 RGKLRGPPES 420 REWGNALKGC430 DDPLFLDFLK440 QCLEWDPAVR450 MTPGQALRHP460 WLR |
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| PDB ID: 6HDP Human DYRK2 bound to Scorzodihydrostilbene A | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| PDB Sequence |
VDLGTENLYF
70 QSMGKVKATP80 MTPEQAMKQY90 MQKLTAFEHH100 EIFSYPEIYF110 LGLNAKKRQG 120 MTGGPNNGGY130 DDDQGSYVQV140 PHDHVAYRYE150 VLKVIGKGSF160 GQVVKAYDHK 170 VHQHVALKMV180 RNEKRFHRQA190 AEEIRILEHL200 RKQDKDNTMN210 VIHMLENFTF 220 RNHICMTFEL230 LSMNLYELIK240 KNKFQGFSLP250 LVRKFAHSIL260 QCLDALHKNR 270 IIHCDLKPEN280 ILLKQQGRSG290 IKVIDFGSSC300 YEHQRVYTIQ311 SRFYRAPEVI 321 LGARYGMPID331 MWSLGCILAE341 LLTGYPLLPG351 EDEGDQLACM361 IELLGMPSQK 371 LLDASKRAKN381 FVSKGYPRYC392 TVTTLSDGSV402 VLNGGRSRRG412 KLRGPPESRE 422 WGNALKGCDD432 PLFLDFLKQC442 LEWDPAVRMT452 PGQALRHPWL462 RRRLPKP |
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| PDB ID: 5ZTN The crystal structure of human DYRK2 in complex with Curcumin | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [4] |
| PDB Sequence |
GVDLGTENLY
69 FQSMGKVKAT79 PMTPEQAMKQ89 YMQKLTAFEH99 HEIFSYPEIY109 FLGLNAKKRQ 119 GMTGGPNNGG129 YDDDQGSYVQ139 VPHDHVAYRY149 EVLKVIGKGS159 FGQVVKAYDH 169 KVHQHVALKM179 VRNEKRFHRQ189 AAEEIRILEH199 LRKQDKDNTM209 NVIHMLENFT 219 FRNHICMTFE229 LLSMNLYELI239 KKNKFQGFSL249 PLVRKFAHSI259 LQCLDALHKN 269 RIIHCDLKPE279 NILLKQQGRS289 GIKVIDFGSS299 CYEHQRVYTI310 QSRFYRAPEV 320 ILGARYGMPI330 DMWSLGCILA340 ELLTGYPLLP350 GEDEGDQLAC360 MIELLGMPSQ 370 KLLDASKRAK380 NFVSKGYPRY391 CTVTVLNGGR408 SRRGKLRGPP418 ESREWGNALK 428 GCDDPLFLDF438 LKQCLEWDPA448 VRMTPGQALR458 HPWLR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:383 or .A:384 or .A:386 or .A:387 or .A:390; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7AKF Structure of DYRK2 in complex with compound 50 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [5] |
| PDB Sequence |
VDLGTENLYF
143 QSMGKVKATP153 MTPEQAMKQY163 MQKLTAFEHH173 EIFSYPEIYF183 LGLNAKKRQG 193 MTGGPNNGGY203 DDDQGSYVQV213 PHDHVAYRYE223 VLKVIGKGFG234 QVVKAYDHKV 244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR274 KQDKDNTMNV284 IHMLENFTFR 294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL324 VRKFAHSILQ334 CLDALHKNRI 344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY374 EHQRVYTIQS385 RFYRAPEVIL 395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE425 DEGDQLACMI435 ELLGMPSQKL 445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV476 LNGGRSRRGK486 LRGPPESREW 496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP526 GQALRHPWL
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:230 or .A:231 or .A:233 or .A:234 or .A:254 or .A:259 or .A:348 or .A:350 or .A:453 or .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7AKH Structure of DYRK2 in complex with compound 58 | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [5] |
| PDB Sequence |
VDLGTENLYF
143 QSMGKVKATP153 MTPEQAMKQY163 MQKLTAFEHH173 EIFSYPEIYF183 LGLNAKKRQG 193 MTGGPNNGGY203 DDDQGSYVQV213 PHDHVAYRYE223 VLKVIGKGFG234 QVVKAYDHKV 244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR274 KQDKDNTMNV284 IHMLENFTFR 294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL324 VRKFAHSILQ334 CLDALHKNRI 344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY374 EHQRVYTIQS385 RFYRAPEVIL 395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE425 DEGDQLACMI435 ELLGMPSQKL 445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV476 LNGGRSRRGK486 LRGPPESREW 496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP526 GQALRHPWL
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:230 or .A:231 or .A:233 or .A:234 or .A:254 or .A:259 or .A:368 or .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4AZF Human DYRK2 in complex with Leucettine L41 | ||||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [6] |
| PDB Sequence |
HHHSGVDLGT
65 ENLYFQSMGK75 VKATPMTPEQ85 AMKQYMQKLT95 AFEHHEIFSY105 PEIYFLGLNA 115 KKRQGMTGGP125 NNGGYDDDQG135 SYVQVPHDHV145 AYRYEVLKVI155 GKGSFGQVVK 165 AYDHKVHQHV175 ALKMVRNEKR185 FHRQAAEEIR195 ILEHLRKQDK205 DNTMNVIHML 215 ENFTFRNHIC225 MTFELLSMNL235 YELIKKNKFQ245 GFSLPLVRKF255 AHSILQCLDA 265 LHKNRIIHCD275 LKPENILLKQ285 QGRSGIKVID295 FGSSCYEHQR305 VYTIQSRFYR 316 APEVILGARY326 GMPIDMWSLG336 CILAELLTGY346 PLLPGEDEGD356 QLACMIELLG 366 MPSQKLLDAS376 KRAKNFVSKG387 YPRYCTVTTL397 SDVVLNGGRS409 RRGKLRGPPE 419 SREWGNALKG429 CDDPLFLDFL439 KQCLEWDPAV449 RMTPGQALRH459 PWLR |
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:57 or .A:58 or .A:60 or .A:61 or .A:167 or .A:169 or .A:172 or .A:383 or .A:384 or .A:386 or .A:387 or .A:390; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6K0J The co-crystal structure of DYRK2 with a small molecule inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [7] |
| PDB Sequence |
QVPHDHVAYR
221 YEVLKVIGKG231 SFGQVVKAYD241 HKVHQHVALK251 MVRNNKRFHR261 QAAEEIRILE 271 HLRKQDKDNT281 MNVIHMLENF291 TFRNHICMTF301 ELLSMNLYEL311 IKKNKFQGFS 321 LPLVRKFAHS331 ILQCLDALHK341 NRIIHCDAKP351 ENILLKQQGR361 SGIKVIDFGS 371 SCYEHQRVYT381 IQSRFYRAPE392 VILGARYGMP402 IDMWSLGCIL412 AELLTGYPLL 422 PGEDEGDQLA432 CMIELLGMPS442 QKLLDASKRA452 KNFVSKGYPR463 YCTVTTLSDG 473 SVVLNGGRSR483 RGKLRGPPES493 REWGNALKGC503 DDPLFLDFLK513 QCLEWDPAVR 523 MTPGQALRHP533 WLRAA
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DHV The co-crystal structure of DYRK2 with a small molecule inhibitor 8 | ||||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [8] |
| PDB Sequence |
QVPHDHVAYR
221 YEVLKVIGKG231 SFGQVVKAYD241 HKVHQHVALK251 MVRNEKRFHR261 QAAEEIRILE 271 HLRKQDKDNT281 MNVIHMLENF291 TFRNHICMTF301 ELLSMNLYEL311 IKKNKFQGFS 321 LPLVRKFAHS331 ILQCLDALHK341 NRIIHCDLKP351 ENILLKQQGR361 SGIKVIDFGS 371 SCYEHQRVYT381 IQSRFYRAPE392 VILGARYGMP402 IDMWSLGCIL412 AELLTGYPLL 422 PGEDEGDQLA432 CMIELLGMPS442 QKLLDASKRA452 KNFVSKGYPR463 YCTVTTLSDG 473 SVVLNGGRSR483 RGKLRGPPES493 REWGNALKGC503 DDPLFLDFLK513 QCLEWDPAVR 523 MTPGQALRHP533 WLRRR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DH3 The co-crystal structure of DYRK2 with a small molecule inhibitor 5 | ||||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [9] |
| PDB Sequence |
VPHDHVAYRY
222 EVLKVIGKGS232 FGQVVKAYDH242 KVHQHVALKM252 VRNEKRFHRQ262 AAEEIRILEH 272 LRKQDKDNTM282 NVIHMLENFT292 FRNHICMTFE302 LLSMNLYELI312 KKNKFQGFSL 322 PLVRKFAHSI332 LQCLDALHKN342 RIIHCDLKPE352 NILLKQQGRS362 GIKVIDFGSS 372 CYEHQRVYTI383 QSRFYRAPEV393 ILGARYGMPI403 DMWSLGCILA413 ELLTGYPLLP 423 GEDEGDQLAC433 MIELLGMPSQ443 KLLDASKRAK453 NFVSKGYPRY464 CTVTTLSDGS 474 VVLNGGRSRR484 GKLRGPPESR494 EWGNALKGCD504 DPLFLDFLKQ514 CLEWDPAVRM 524 TPGQALRHPW534 LRRR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DH9 The co-crystal structure of DYRK2 with a small molecule inhibitor 7 | ||||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [8] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DHK The co-crystal structure of DYRK2 with a small molecule inhibitor 13 | ||||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | No | [8] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DHN The co-crystal structure of DYRK2 with a small molecule inhibitor 20 | ||||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [8] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DHH The co-crystal structure of DYRK2 with a small molecule inhibitor 19 | ||||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [8] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:453 or .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DJO The co-crystal structure of DYRK2 with a small molecule inhibitor 17 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [8] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DG4 The co-crystal structure of DYRK2 with a small molecule inhibitor 6 | ||||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [8] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:453 or .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DHC The co-crystal structure of DYRK2 with a small molecule inhibitor 10 | ||||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | No | [8] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DL6 The co-crystal structure of DYRK2 with a small molecule inhibitor 18 | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [8] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:456 or .A:457 or .A:459 or .A:460 or .A:463; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7DHO The co-crystal structure of DYRK2 with a small molecule inhibitor 14 | ||||||
| Method | X-ray diffraction | Resolution | 3.29 Å | Mutation | No | [8] |
| PDB Sequence |
HDHVAYRYEV
224 LKVIGKGSFG234 QVVKAYDHKV244 HQHVALKMVR254 NEKRFHRQAA264 EEIRILEHLR 274 KQDKDNTMNV284 IHMLENFTFR294 NHICMTFELL304 SMNLYELIKK314 NKFQGFSLPL 324 VRKFAHSILQ334 CLDALHKNRI344 IHCDLKPENI354 LLKQQGRSGI364 KVIDFGSSCY 374 EHQRVYTIQS385 RFYRAPEVIL395 GARYGMPIDM405 WSLGCILAEL415 LTGYPLLPGE 425 DEGDQLACMI435 ELLGMPSQKL445 LDASKRAKNF455 VSKGYPRYCT466 VTTLSDGSVV 476 LNGGRSRRGK486 LRGPPESREW496 GNALKGCDDP506 LFLDFLKQCL516 EWDPAVRMTP 526 GQALRHPWLR536 RR
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | DYRK2 bound to Curcumin | ||||
| REF 2 | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | ||||
| REF 3 | DYRK2 bound to Scorzodihydrostilbene A | ||||
| REF 4 | Ancient drug curcumin impedes 26S proteasome activity by direct inhibition of dual-specificity tyrosine-regulated kinase 2. Proc Natl Acad Sci U S A. 2018 Aug 7;115(32):8155-8160. | ||||
| REF 5 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J Med Chem. 2021 May 27;64(10):6745-6764. | ||||
| REF 6 | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B. J Med Chem. 2012 Nov 8;55(21):9312-30. | ||||
| REF 7 | Inhibition of dual-specificity tyrosine phosphorylation-regulated kinase 2 perturbs 26S proteasome-addicted neoplastic progression. Proc Natl Acad Sci U S A. 2019 Dec 3;116(49):24881-24891. | ||||
| REF 8 | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife. 2022 Apr 19;11:e77696. | ||||
| REF 9 | The co-crystal structure of DYRK2 with a small molecule inhibitor 5 | ||||
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