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7T1F
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BU of 7t1f by Molmil
Crystal structure of GDP-bound T50I mutant of human KRAS4B
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
著者Zhang, Y, Zhang, C.
登録日2021-12-01
公開日2022-12-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation.
JCI Insight, 8, 2023
5LQ6
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BU of 5lq6 by Molmil
Salmonella effector SpvD - R161 variant
分子名称: SODIUM ION, Virulence protein vsdE
著者Zhang, Y, Grabe, G.J, Rolhion, N, Yang, Y, Holden, D.W, Hare, S.A.
登録日2016-08-16
公開日2016-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence.
J. Biol. Chem., 291, 2016
6WXK
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BU of 6wxk by Molmil
PHF23 PHD Domain Apo
分子名称: PHD finger protein 23, ZINC ION
著者Vann, K.R, Zhang, J, Zhang, Y, Kutateladze, T.
登録日2020-05-11
公開日2020-07-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanistic insights into chromatin targeting by leukemic NUP98-PHF23 fusion.
Nat Commun, 11, 2020
5WTA
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BU of 5wta by Molmil
Crystal Structure of Staphylococcus aureus SdrE apo form
分子名称: Serine-aspartate repeat-containing protein E
著者Wu, M, Zhang, Y, Hang, T, Wang, C, Yang, Y, Zang, J, Zhang, M, Zhang, X.
登録日2016-12-10
公開日2017-07-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Staphylococcus aureus SdrE captures complement factor H's C-terminus via a novel 'close, dock, lock and latch' mechanism for complement evasion
Biochem. J., 474, 2017
5WTB
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BU of 5wtb by Molmil
Complex Structure of Staphylococcus aureus SdrE with human complement factor H
分子名称: Peptide from Complement factor H, Serine-aspartate repeat-containing protein E
著者Wu, M, Zhang, Y, Hang, T, Wang, C, Yang, Y, Zang, J, Zhang, M, Zhang, X.
登録日2016-12-10
公開日2017-07-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Staphylococcus aureus SdrE captures complement factor H's C-terminus via a novel 'close, dock, lock and latch' mechanism for complement evasion
Biochem. J., 474, 2017
4HVS
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BU of 4hvs by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX647
分子名称: 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine, Mast/stem cell growth factor receptor Kit
著者Zhang, Y, Zhang, C.
登録日2012-11-06
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and pharmacology of a highly specific dual FMS and KIT kinase inhibitor.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HW7
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BU of 4hw7 by Molmil
Crystal structure of FMS kinase domain with a small molecular inhibitor, PLX647-OME
分子名称: 5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y, Zhang, C.
登録日2012-11-07
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9001 Å)
主引用文献Design and pharmacology of a highly specific dual FMS and KIT kinase inhibitor.
Proc.Natl.Acad.Sci.USA, 110, 2013
3OG7
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BU of 3og7 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX4032
分子名称: AKAP9-BRAF fusion protein, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
著者Zhang, Y, Zhang, K.Y, Zhang, C.
登録日2010-08-16
公開日2010-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma.
Nature, 467, 2010
5WMG
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BU of 5wmg by Molmil
N-terminal bromodomain of BRD4 in complex with OTX-015
分子名称: 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4
著者Zhang, Y.
登録日2017-07-28
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
5WMD
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BU of 5wmd by Molmil
N-terminal bromodomain of BRD4 in complex with OTX-015
分子名称: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4
著者Zhang, Y.
登録日2017-07-28
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
5WMA
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BU of 5wma by Molmil
N-terminal bromodomain of BRD4 in complex with PLX5981
分子名称: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4
著者Zhang, Y.
登録日2017-07-28
公開日2018-08-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
6URG
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BU of 6urg by Molmil
Cryo-EM structure of human CPSF160-WDR33-CPSF30-CPSF100 PIM complex
分子名称: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 2, Cleavage and polyadenylation specificity factor subunit 4, ...
著者Sun, Y, Zhang, Y, Walz, T, Tong, L.
登録日2019-10-23
公開日2019-11-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural Insights into the Human Pre-mRNA 3'-End Processing Machinery.
Mol.Cell, 77, 2020
6URO
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BU of 6uro by Molmil
Cryo-EM structure of human CPSF160-WDR33-CPSF30-PAS RNA-CstF77 complex
分子名称: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, Cleavage stimulation factor subunit 3, ...
著者Sun, Y, Zhang, Y, Walz, T, Tong, L.
登録日2019-10-23
公開日2019-11-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Insights into the Human Pre-mRNA 3'-End Processing Machinery.
Mol.Cell, 77, 2020
4XVC
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BU of 4xvc by Molmil
Crystal structure of an esterase from the bacterial hormone-sensitive lipase (HSL) family
分子名称: Esterase E40, phenylmethanesulfonic acid
著者Zhang, Y, Li, P.
登録日2015-01-27
公開日2015-03-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interdomain Hydrophobic Interactions Modulate the Thermostability of Microbial Esterases from the Hormone-Sensitive Lipase Family.
J.Biol.Chem., 290, 2015
6P79
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BU of 6p79 by Molmil
Engineered single chain antibody C9+C14 ScFv
分子名称: Engineered antibody heavy chain, Engineered antibody light chain
著者Zhang, Y, Li, W, Marshall, N.
登録日2019-06-05
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.583 Å)
主引用文献Computer-based Engineering of Thermostabilized Antibody Fragments.
Aiche J, 66, 2020
5COI
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BU of 5coi by Molmil
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
5CPE
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BU of 5cpe by Molmil
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, N-cycloheptyl-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2015-07-21
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
5CP5
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BU of 5cp5 by Molmil
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
5CS8
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BU of 5cs8 by Molmil
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
5D0C
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BU of 5d0c by Molmil
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
5CTL
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BU of 5ctl by Molmil
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
5DX4
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BU of 5dx4 by Molmil
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, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-09-23
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 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
6O5W
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BU of 6o5w by Molmil
Crystal structure of MORC3 CW domain fused with viral influenza A NS1 peptide
分子名称: NS1-linked peptide,MORC family CW-type zinc finger protein 3, ZINC ION
著者Ahn, J, Zhang, Y, Vann, K.R, Kutateleadze, T.
登録日2019-03-04
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.412 Å)
主引用文献MORC3 Is a Target of the Influenza A Viral Protein NS1.
Structure, 27, 2019
5CQT
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BU of 5cqt by Molmil
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
5CRM
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BU of 5crm by Molmil
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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