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7WKC
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BU of 7wkc by Molmil
A prototype protein nanocage minimized from carboxysomes with gated oxygen permeability
分子名称: Carboxysome shell vertex protein CcmL
著者Tan, H, Yang, J.
登録日2022-01-08
公開日2022-02-16
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献A prototype protein nanocage minimized from carboxysomes with gated oxygen permeability.
Proc.Natl.Acad.Sci.USA, 119, 2022
5EQ0
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BU of 5eq0 by Molmil
Crystal Structure of chromodomain of CBX8 in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 8, UNKNOWN ATOM OR ION, unc3866
著者Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-11-12
公開日2015-12-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
5EPK
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BU of 5epk by Molmil
Crystal Structure of chromodomain of CBX2 in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 2, UNKNOWN ATOM OR ION, unc3866
著者Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-11-11
公開日2015-12-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
5EPL
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BU of 5epl by Molmil
Crystal Structure of chromodomain of CBX4 in complex with inhibitor UNC3866
分子名称: E3 SUMO-protein ligase CBX4, UNKNOWN ATOM OR ION, unc3866
著者Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-11-11
公開日2015-12-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
5EQP
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BU of 5eqp by Molmil
Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37)
分子名称: 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha
著者Zhou, T, Zhu, X, Dalgarno, D.C.
登録日2015-11-13
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
5F3W
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BU of 5f3w by Molmil
Structure of the ATPrS-Mre11/Rad50-DNA complex
分子名称: 27-MER DNA, DNA double-strand break repair Rad50 ATPase,DNA double-strand break repair Rad50 ATPase, DNA double-strand break repair protein Mre11, ...
著者Liu, Y.
登録日2015-12-03
公開日2016-03-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献ATP-dependent DNA binding, unwinding, and resection by the Mre11/Rad50 complex
Embo J., 35, 2016
5H06
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BU of 5h06 by Molmil
Crystal structure of AmyP in complex with maltose
分子名称: AmyP, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者He, C, Liu, Y.
登録日2016-10-03
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a raw-starch-degrading bacterial alpha-amylase belonging to subfamily 37 of the glycoside hydrolase family GH13
Sci Rep, 7, 2017
5H1U
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BU of 5h1u by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 2
分子名称: 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5VSF
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BU of 5vsf by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17
分子名称: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2017-05-11
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5H1T
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BU of 5h1t by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 1
分子名称: DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5VSE
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BU of 5vse by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
分子名称: Histone-lysine N-methyltransferase EHMT2, N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine, S-ADENOSYLMETHIONINE, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2017-05-11
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
7CQQ
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BU of 7cqq by Molmil
GmaS in complex with AMPPNP and MetSox
分子名称: (2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Li, C.Y, Zhang, Y.Z.
登録日2020-08-11
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
5H05
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BU of 5h05 by Molmil
Crystal structure of AmyP E221Q in complex with MALTOTRIOSE
分子名称: AmyP, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者He, C, Liu, Y.
登録日2016-10-03
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of a raw-starch-degrading bacterial alpha-amylase belonging to subfamily 37 of the glycoside hydrolase family GH13
Sci Rep, 7, 2017
5VSD
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BU of 5vsd by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 13
分子名称: 1,4-DIETHYLENE DIOXIDE, 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, GLYCEROL, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2017-05-11
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
7CQL
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BU of 7cql by Molmil
Apo GmaS without ligand
分子名称: Type III glutamate--ammonia ligase
著者Li, C.Y, Zhang, Y.Z.
登録日2020-08-11
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
7CQN
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BU of 7cqn by Molmil
GmaS in complex with AMPPCP
分子名称: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Type III glutamate--ammonia ligase
著者Li, C.Y, Zhang, Y.Z.
登録日2020-08-11
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
5H1D
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BU of 5h1d by Molmil
Crystal structure of C-terminal of RhoGDI2
分子名称: Rho GDP-dissociation inhibitor 2
著者Liu, J.
登録日2016-10-08
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献NMR characterization of weak interactions between RhoGDI2 and fragment screening hits.
Biochim. Biophys. Acta, 1861, 2017
7XS4
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BU of 7xs4 by Molmil
Crystal structure of URT1 in complex with AAAU RNA
分子名称: RNA (5'-R(*AP*AP*AP*U)-3'), UTP:RNA uridylyltransferase 1
著者Hu, Q, Zhu, L.R, lv, M.Q, Gong, Q.G.
登録日2022-05-12
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.846 Å)
主引用文献Molecular mechanism underlying the di-uridylation activity of Arabidopsis TUTase URT1.
Nucleic Acids Res., 50, 2022
7CQU
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BU of 7cqu by Molmil
GmaS/ADP/MetSox-P complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, MAGNESIUM ION, ...
著者Li, C.Y, Zhang, Y.Z.
登録日2020-08-11
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
5GMQ
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BU of 5gmq by Molmil
Structure of MERS-CoV RBD in complex with a fully human antibody MCA1
分子名称: 1,2-ETHANEDIOL, MCA1 heavy chain, MCA1 light chain, ...
著者Chen, C, Wang, J.M, Zou, T.T, Gao, X.P, Cui, S, Jin, Q.
登録日2016-07-15
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Human Neutralizing Monoclonal Antibody Inhibition of Middle East Respiratory Syndrome Coronavirus Replication in the Common Marmoset.
J. Infect. Dis., 215, 2017
7CM9
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BU of 7cm9 by Molmil
DMSP lyase DddX
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION
著者Li, C.Y, Zhang, Y.Z.
登録日2020-07-25
公開日2021-05-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
5H1V
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BU of 5h1v by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 6
分子名称: 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5VSC
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BU of 5vsc by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13
分子名称: 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Babault, N, Xiong, Y, Liu, J, Jin, J.
登録日2017-05-11
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
2MXP
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BU of 2mxp by Molmil
Solution structure of NDP52 ubiquitin-binding zinc finger
分子名称: Calcium-binding and coiled-coil domain-containing protein 2, ZINC ION
著者Pan, L, Xie, X.
登録日2015-01-12
公開日2015-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
5GH9
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BU of 5gh9 by Molmil
Crystal structure of CBP Bromodomain with H3K56ac peptide
分子名称: CREB-binding protein, Histone H3
著者Xu, L.
登録日2016-06-19
公開日2017-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017

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