5CP5
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![BU of 5cp5 by Molmil](/molmil-images/mine/5cp5) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, Bromodomain-containing protein 4, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-21 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CS8
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![BU of 5cs8 by Molmil](/molmil-images/mine/5cs8) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-23 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5D0C
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![BU of 5d0c by Molmil](/molmil-images/mine/5d0c) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-08-03 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5COI
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![BU of 5coi by Molmil](/molmil-images/mine/5coi) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid, Bromodomain-containing protein 4 | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5GT7
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![BU of 5gt7 by Molmil](/molmil-images/mine/5gt7) | Crystal Structure of Arg-bound CASTOR1 | 分子名称: | ARGININE, GATS-like protein 3, MALONATE ION | 著者 | Guo, L, Deng, D. | 登録日 | 2016-08-18 | 公開日 | 2017-08-23 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.048 Å) | 主引用文献 | Crystal structures of arginine sensor CASTOR1 in arginine-bound and ligand free states Biochem. Biophys. Res. Commun., 508, 2019
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5CTL
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![BU of 5ctl by Molmil](/molmil-images/mine/5ctl) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-24 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CQT
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![BU of 5cqt by Molmil](/molmil-images/mine/5cqt) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-22 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CRM
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![BU of 5crm by Molmil](/molmil-images/mine/5crm) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-23 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CY9
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![BU of 5cy9 by Molmil](/molmil-images/mine/5cy9) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-30 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CRZ
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![BU of 5crz by Molmil](/molmil-images/mine/5crz) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ... | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | 登録日 | 2015-07-23 | 公開日 | 2016-01-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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8JTN
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![BU of 8jtn by Molmil](/molmil-images/mine/8jtn) | Tudor domain of TDRD3 in complex with a small molecule | 分子名称: | 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3 | 著者 | Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y. | 登録日 | 2023-06-22 | 公開日 | 2023-08-09 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist. Biochim Biophys Acta Gene Regul Mech, 1866, 2023
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7MBO
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![BU of 7mbo by Molmil](/molmil-images/mine/7mbo) | FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | 著者 | Sheriff, S. | 登録日 | 2021-04-01 | 公開日 | 2021-09-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.924 Å) | 主引用文献 | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J.Med.Chem., 65, 2022
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8H93
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![BU of 8h93 by Molmil](/molmil-images/mine/8h93) | Structure of dimeric mouse SCMC core complex | 分子名称: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | 著者 | Chi, P, Ou, G, Han, Z, Li, J, Deng, D. | 登録日 | 2022-10-24 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | 主引用文献 | Structural basis of the subcortical maternal complex and its implications in reproductive disorders. Nat.Struct.Mol.Biol., 31, 2024
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8H94
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![BU of 8h94 by Molmil](/molmil-images/mine/8h94) | Structure of mouse SCMC bound with KH domain of FILIA | 分子名称: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | 著者 | Chi, P, Ou, G, Han, Z, Li, J, Deng, D. | 登録日 | 2022-10-24 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis of the subcortical maternal complex and its implications in reproductive disorders. Nat.Struct.Mol.Biol., 31, 2024
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8H96
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![BU of 8h96 by Molmil](/molmil-images/mine/8h96) | Structure of mouse SCMC core complex | 分子名称: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | 著者 | Chi, P, Ou, G, Li, J, Han, Z, Deng, D. | 登録日 | 2022-10-24 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (2.78 Å) | 主引用文献 | Structural basis of the subcortical maternal complex and its implications in reproductive disorders. Nat.Struct.Mol.Biol., 31, 2024
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8H95
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![BU of 8h95 by Molmil](/molmil-images/mine/8h95) | Structure of mouse SCMC bound with full-length FILIA | 分子名称: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | 著者 | Chi, P, Ou, G, Han, Z, Li, L, Deng, D. | 登録日 | 2022-10-24 | 公開日 | 2024-01-10 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | 主引用文献 | Structural basis of the subcortical maternal complex and its implications in reproductive disorders. Nat.Struct.Mol.Biol., 31, 2024
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6W50
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![BU of 6w50 by Molmil](/molmil-images/mine/6w50) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2020-03-12 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J.Med.Chem., 63, 2020
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7DHS
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![BU of 7dhs by Molmil](/molmil-images/mine/7dhs) | Crystal Structure Analysis of the BRD4 | 分子名称: | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4 | 著者 | Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y. | 登録日 | 2020-11-17 | 公開日 | 2021-09-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Y06014 is a selective BET inhibitor for the treatment of prostate cancer. Acta Pharmacol.Sin., 42, 2021
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6D26
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![BU of 6d26 by Molmil](/molmil-images/mine/6d26) | Crystal structure of the prostaglandin D2 receptor CRTH2 with fevipiprant | 分子名称: | OLEIC ACID, Prostaglandin D2 receptor 2, Endolysin chimera, ... | 著者 | Wang, L, Yao, D, Deepak, K, Liu, H, Gong, W, Fan, H, Wei, Z, Zhang, C. | 登録日 | 2018-04-13 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.798 Å) | 主引用文献 | Structures of the Human PGD2Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition. Mol. Cell, 72, 2018
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6D27
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![BU of 6d27 by Molmil](/molmil-images/mine/6d27) | Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, OLEIC ACID, ... | 著者 | Wang, L, Yao, D, Deepak, K, Liu, H, Gong, W, Fan, H, Wei, Z, Zhang, C. | 登録日 | 2018-04-13 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.738 Å) | 主引用文献 | Structures of the Human PGD2Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition. Mol. Cell, 72, 2018
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4MQ2
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![BU of 4mq2 by Molmil](/molmil-images/mine/4mq2) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | 登録日 | 2013-09-15 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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8J40
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![BU of 8j40 by Molmil](/molmil-images/mine/8j40) | Crystal Structure of CATB8 in complex with chloramphenicol | 分子名称: | CHLORAMPHENICOL, CatB8, GLYCEROL, ... | 著者 | Liao, J, Kuang, L, Jiang, Y. | 登録日 | 2023-04-18 | 公開日 | 2024-02-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Chloramphenicol Binding Sites of Acinetobacter baumannii Chloramphenicol Acetyltransferase CatB8. Acs Infect Dis., 10, 2024
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4MQ1
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![BU of 4mq1 by Molmil](/molmil-images/mine/4mq1) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | 登録日 | 2013-09-15 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4ECC
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![BU of 4ecc by Molmil](/molmil-images/mine/4ecc) | Chimeric GST Containing Inserts of Kininogen Peptides | 分子名称: | chimeric protein between GSHKT10 and domain 5 of kininogen-1 | 著者 | Amber, A.B, Sergei, M.M, Yi, P, Rita, R, Xiaoping, Q, Marianne, P.-C, William, C.M, Vivien, Y, Keith, R.M, Anton, A.K. | 登録日 | 2012-03-26 | 公開日 | 2012-05-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Chimeric glutathione S-transferases containing inserts of kininogen peptides: potential novel protein therapeutics. J.Biol.Chem., 287, 2012
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4ECB
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![BU of 4ecb by Molmil](/molmil-images/mine/4ecb) | Chimeric GST Containing Inserts of Kininogen Peptides | 分子名称: | chimeric protein between GSHKT10 and domain 5 of kininogen-1 | 著者 | Amber, A.B, Sergei, M.M, Yi, P, Rita, R, Xiaoping, Q, Marianne, P.-C, William, C.M, Vivien, Y, Keith, R.M, Anton, A.K. | 登録日 | 2012-03-26 | 公開日 | 2012-05-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Chimeric glutathione S-transferases containing inserts of kininogen peptides: potential novel protein therapeutics. J.Biol.Chem., 287, 2012
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