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8VQ4
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BU of 8vq4 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
分子名称: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
登録日2024-01-17
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
8VQ3
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BU of 8vq3 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
分子名称: (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
登録日2024-01-17
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
6PZP
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BU of 6pzp by Molmil
Crystal structure of caspase-1 in complex with VX-765
分子名称: Caspase-1, N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide
著者Yang, J, Liu, Z, Xiao, T.S.
登録日2019-08-01
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of caspase-1 in complex with VX-765
To Be Published
1MOT
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BU of 1mot by Molmil
NMR Structure Of Extended Second Transmembrane Domain Of Glycine Receptor alpha1 Subunit in SDS Micelles
分子名称: Glycine Receptor alpha-1 CHAIN
著者Yushmanov, V.E, Mandal, P.K, Liu, Z, Tang, P, Xu, Y.
登録日2002-09-09
公開日2003-09-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR Structure and Backbone Dynamics of the Extended Second Transmembrane Domain of the Human Neuronal Glycine Receptor Alpha1 Subunit
Biochemistry, 42, 2003
3NGM
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BU of 3ngm by Molmil
Crystal structure of lipase from Gibberella zeae
分子名称: Extracellular lipase
著者Lou, Z.Y, Li, M, Sun, Y.N, Liu, Y, Liu, Z, Rao, Z.H.
登録日2010-06-12
公開日2011-05-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a secreted lipase from Gibberella zeae reveals a novel "double-lock" mechanism
Protein Cell, 1, 2010
1P0R
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BU of 1p0r by Molmil
Solution Structure of UBL5 a human Ubiquitin-Like Protein
分子名称: ubiquitin-like 5
著者McNally, T, Huang, Q, Janis, R.S, Liu, Z, Olejniczak, E.T, Reilly, R.M.
登録日2003-04-10
公開日2003-10-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural analysis of UBL5, a novel ubiquitin-like modifier
Protein Sci., 12, 2003
1VRY
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BU of 1vry by Molmil
Second and Third Transmembrane Domains of the Alpha-1 Subunit of Human Glycine Receptor
分子名称: Glycine receptor alpha-1 chain
著者Ma, D, Liu, Z, Li, L, Tang, P, Xu, Y.
登録日2005-07-20
公開日2005-07-26
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure and Dynamics of the Second and Third Transmembrane Domains of Human Glycine Receptor.
Biochemistry, 44, 2005
1SSK
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BU of 1ssk by Molmil
Structure of the N-terminal RNA-binding Domain of the SARS CoV Nucleocapsid Protein
分子名称: Nucleocapsid protein
著者Huang, Q, Yu, L, Petros, A.M, Gunasekera, A, Liu, Z, Xu, N, Hajduk, P, Mack, J, Fesik, S.W, Olejniczak, E.T.
登録日2004-03-24
公開日2004-06-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the N-Terminal RNA-Binding Domain of the SARS CoV Nucleocapsid Protein.
Biochemistry, 43, 2004
1W9G
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BU of 1w9g by Molmil
Structure of ERH (Enhencer of Rudimentary Gene)
分子名称: ENHANCER OF RUDIMENTARY HOMOLOG
著者Wan, C, Tempel, W, Liu, Z, Wang, B.-C, Rose, R.B.
登録日2004-10-13
公開日2005-04-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Conserved Transcriptional Repressor Enhancer of Rudimentary Homolog
Biochemistry, 44, 2005
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
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
5CY9
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BU of 5cy9 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2015-07-30
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
5CRZ
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BU of 5crz 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, 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
6NHY
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BU of 6nhy by Molmil
Structure of the transmembrane domain of the Death Receptor 5 mutant (G217Y) - Trimer Only
分子名称: Tumor necrosis factor receptor superfamily member 10B
著者Chou, J.J, Pan, L, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H, Liu, Z.
登録日2018-12-24
公開日2019-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
1XOX
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BU of 1xox by Molmil
SOLUTION STRUCTURE OF HUMAN SURVIVIN
分子名称: Apoptosis inhibitor survivin, ZINC ION
著者Sun, C, Nettesheim, D, Liu, Z, Olejniczak, E.T.
登録日2004-10-07
公開日2005-01-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of human survivin and its binding interface with smac/diablo
Biochemistry, 44, 2005
1ZGH
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BU of 1zgh by Molmil
Methionyl-tRNA formyltransferase from Clostridium thermocellum
分子名称: Methionyl-tRNA formyltransferase, UNKNOWN ATOM OR ION
著者Yang, H, Kataeva, I, Xu, H, Zhao, M, Chang, J, Liu, Z, Chen, L, Tempel, W, Habel, J, Zhou, W, Lee, D, Lin, D, Chang, S, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Wang, B, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2005-04-21
公開日2005-05-03
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Methionyl-tRNA formyltransferase from Clostridium thermocellum
To be published
3HAG
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BU of 3hag by Molmil
Crystal structure of the Hepatitis E Virus-like Particle
分子名称: Capsid protein
著者Guu, T.S.Y, Liu, Z, Ye, Q, Mata, D.A, Li, K, Yin, C, Zhang, J, Tao, Y.J.
登録日2009-05-01
公開日2009-09-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of the hepatitis E virus-like particle suggests mechanisms for virus assembly and receptor binding.
Proc.Natl.Acad.Sci.USA, 106, 2009
3J7V
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BU of 3j7v by Molmil
Capsid Expansion Mechanism Of Bacteriophage T7 Revealed By Multi-State Atomic Models Derived From Cryo-EM Reconstructions
分子名称: Major capsid protein 10A
著者Guo, F, Liu, Z, Fang, P.A, Zhang, Q, Wright, E.T, Wu, W, Zhang, C, Vago, F, Ren, Y, Jakata, J, Chiu, W, Serwer, P, Jiang, W.
登録日2014-08-12
公開日2014-10-15
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Capsid expansion mechanism of bacteriophage T7 revealed by multistate atomic models derived from cryo-EM reconstructions.
Proc.Natl.Acad.Sci.USA, 111, 2014

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