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6LJ1
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BU of 6lj1 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02127 monomer
分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.151 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ2
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BU of 6lj2 by Molmil
Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer
分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, HYDROXIDE ION, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ5
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BU of 6lj5 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04145
分子名称: 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ0
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BU of 6lj0 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02122
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ4
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BU of 6lj4 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04146
分子名称: (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ6
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BU of 6lj6 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss05008
分子名称: 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ8
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BU of 6lj8 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04134
分子名称: 1,2-ETHANEDIOL, 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LIP
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BU of 6lip by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss0218
分子名称: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-12
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
4Q9U
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BU of 4q9u by Molmil
Crystal structure of the Rab5, Rabex-5delta and Rabaptin-5C21 complex
分子名称: Rab GTPase-binding effector protein 1, Rab5 GDP/GTP exchange factor, Ras-related protein Rab-5A
著者Zhang, Z, Zhang, T, Ding, J.
登録日2014-05-01
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.618 Å)
主引用文献Molecular mechanism for Rabex-5 GEF activation by Rabaptin-5
Elife, 3, 2014
6LIZ
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BU of 6liz by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02120
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ7
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BU of 6lj7 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss05010
分子名称: 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
7E3Z
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BU of 7e3z by Molmil
Non-Ribosomal Peptide Synthetases, Thioesterase
分子名称: CHLORIDE ION, thioesterase
著者Jung, Y.E, Cha, S.S.
登録日2021-02-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Unprecedented Noncanonical Features of the Nonlinear Nonribosomal Peptide Synthetase Assembly Line for WS9326A Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
4QWP
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BU of 4qwp by Molmil
co-crystal structure of chitosanase OU01 with substrate
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Lyu, Q, Liu, W, Han, B.
登録日2014-07-17
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and biochemical insights into the degradation mechanism of chitosan by chitosanase OU01.
Biochim.Biophys.Acta, 1850, 2015
3SP7
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BU of 3sp7 by Molmil
Crystal Structure of Bcl-xL bound to BM903
分子名称: 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, ACETATE ION, Bcl-2-like protein 1, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors
To be Published
6MFN
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BU of 6mfn by Molmil
Human Argonaute2-miR-27a bound to HSUR1 target RNA
分子名称: PHENOL, Protein argonaute-2, RNA (5'-R(P*UP*CP*UP*GP*UP*GP*AP*UP*AP*A)-3'), ...
著者Sheu-Gruttadauria, J, MacRae, I.J.
登録日2018-09-11
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
6MFR
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BU of 6mfr by Molmil
Human Argonaute2-miR-122 bound to a target RNA with three central mismatches (bu3)
分子名称: PHENOL, PHOSPHATE ION, Protein argonaute-2, ...
著者Sheu-Gruttadauria, J, MacRae, I.J.
登録日2018-09-12
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
5YHY
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BU of 5yhy by Molmil
Structure of Lactococcus lactis ZitR, C30S mutant
分子名称: ZINC ION, Zinc transport transcriptional regulator
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
3SPF
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BU of 3spf by Molmil
Crystal Structure of Bcl-xL bound to BM501
分子名称: 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL
著者Meagher, J.L, Stuckey, J.A.
登録日2011-07-01
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
5YHZ
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BU of 5yhz by Molmil
Structure of Lactococcus lactis ZitR, E41A mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ZINC ION, ...
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
5YI3
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BU of 5yi3 by Molmil
Structure of Lactococcus lactis ZitR, C30S mutant in complex with DNA
分子名称: DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
3T9V
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BU of 3t9v by Molmil
CNQX bound to a reduced double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2
分子名称: 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile, Glutamate receptor 2, ZINC ION
著者Ahmed, A.H, Oswald, R.E.
登録日2011-08-03
公開日2011-08-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS.
J.Biol.Chem., 286, 2011
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 36H6 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-01
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7WP8
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BU of 7wp8 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-08
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
3T9X
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BU of 3t9x by Molmil
Glutamate bound to a double cysteine mutant (V484C/E657C) of the ligand binding domain of GluA2
分子名称: GLUTAMIC ACID, Glutamate receptor 2, ZINC ION
著者Ahmed, A.H, Oswald, R.E.
登録日2011-08-03
公開日2011-08-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS.
J.Biol.Chem., 286, 2011
5YHX
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BU of 5yhx by Molmil
Structure of Lactococcus lactis ZitR, wild type
分子名称: ZINC ION, Zinc transport transcriptional regulator
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017

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