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PDB: 457 件

3UOK
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Aurora A in complex with YL5-81-1
分子名称: 4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-16
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9506 Å)
主引用文献A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3SWA
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BU of 3swa by Molmil
E. Cloacae MurA R120A complex with UNAG and covalent adduct of PEP with CYS115
分子名称: 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Han, H, Zhu, J.-Y, Schonbrunn, E.
登録日2011-07-13
公開日2012-03-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3UO4
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Aurora A in complex with RPM1680
分子名称: 1,2-ETHANEDIOL, 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-16
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
4EII
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BU of 4eii by Molmil
Unliganded E. cloacae R91K MurA
分子名称: 1,2-ETHANEDIOL, GLYCEROL, TRIETHYLENE GLYCOL, ...
著者Han, H, Zhu, J.-Y, Schonbrunn, E.
登録日2012-04-05
公開日2013-04-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Open-close transition of MurA
To be Published
4RR4
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BU of 4rr4 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367
分子名称: 2-chloro-N-[3-(4-{[(2Z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Ren, X, Zhu, J, Li, H.
登録日2014-11-06
公開日2015-11-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367
TO BE PUBLISHED
3TV7
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BU of 3tv7 by Molmil
Human Rho-associated protein kinase 1 (ROCK 1) in COMPLEX WITH RKI1342
分子名称: 1,2-ETHANEDIOL, 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea, Rho-associated protein kinase 1
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-09-19
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2).
Medchemcomm, 3, 2012
6V0X
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BU of 6v0x by Molmil
Crystal structure of the bromodomain of human BRD9 bound to sunitinib
分子名称: Bromodomain-containing protein 9, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
著者Karim, M.R, Chan, A, Zhu, J.Y, Schonbrunn, E.
登録日2019-11-19
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
4G5R
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BU of 4g5r by Molmil
Structure of LGN GL4/Galphai3 complex
分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
登録日2012-07-18
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.481 Å)
主引用文献Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
4G5O
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BU of 4g5o by Molmil
Structure of LGN GL4/Galphai3(Q147L) complex
分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
登録日2012-07-18
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
4G5Q
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BU of 4g5q by Molmil
Structure of LGN GL4/Galphai1 complex
分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
登録日2012-07-18
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
6UYG
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BU of 6uyg by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1
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, Envelope glycoprotein E2, ...
著者Tzarum, N, Wilson, I.A, Zhu, J.
登録日2019-11-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.375 Å)
主引用文献Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
4LAM
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BU of 4lam by Molmil
Crystal structure of Cordyceps militaris IDCase D323N mutant in complex with 5-carboxyl-uracil
分子名称: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ...
著者Xu, S, Li, W, Zhu, J, Ding, J.
登録日2013-06-20
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4HK6
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BU of 4hk6 by Molmil
Crystal structure of Cordyceps militaris IDCase in complex with 5-nitro-uracil
分子名称: 5-nitrouracil, Uracil-5-carboxylate decarboxylase, ZINC ION
著者Xu, S, Zhu, J, Ding, J.
登録日2012-10-15
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4HK7
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BU of 4hk7 by Molmil
Crystal structure of Cordyceps militaris IDCase in complex with uracil
分子名称: URACIL, Uracil-5-carboxylate decarboxylase, ZINC ION
著者Xu, S, Zhu, J, Ding, J.
登録日2012-10-15
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.189 Å)
主引用文献Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4HK5
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BU of 4hk5 by Molmil
Crystal structure of Cordyceps militaris IDCase in apo form
分子名称: Uracil-5-carboxylate decarboxylase, ZINC ION
著者Xu, S, Zhu, J, Ding, J.
登録日2012-10-15
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
5GK9
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BU of 5gk9 by Molmil
Crystal structure of human HBO1 in complex with BRPF2
分子名称: ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ...
著者Tao, Y, Zhu, J, Xu, S, Ding, J.
登録日2016-07-04
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and mechanistic insights into regulation of HBO1 histone acetyltransferase activity by BRPF2.
Nucleic Acids Res., 45, 2017
4LAL
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BU of 4lal by Molmil
Crystal structure of Cordyceps militaris IDCase D323A mutant in complex with 5-carboxyl-uracil
分子名称: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ...
著者Xu, S, Li, W, Zhu, J, Ding, J.
登録日2013-06-20
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4LGB
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BU of 4lgb by Molmil
ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
分子名称: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ...
著者Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
登録日2013-06-27
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
4LG5
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BU of 4lg5 by Molmil
ABA-mimicking ligand QUINABACTIN in complex with ABA receptor PYL2 and PP2C HAB1
分子名称: Abscisic acid receptor PYL2, MAGNESIUM ION, Protein phosphatase 2C 16, ...
著者Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
登録日2013-06-27
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
4LGA
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BU of 4lga by Molmil
ABA-mimicking ligand N-(2-OXO-1-PROPYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-PHENYLMETHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
分子名称: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide, ...
著者Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
登録日2013-06-27
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
4HC1
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BU of 4hc1 by Molmil
Crystal structure of a loop deleted mutant of human MAdCAM-1 D1D2 complexed with Fab 10G3
分子名称: 10G3 heavy chain, 10G3 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Springer, T, Yu, Y, Zhu, J.
登録日2012-09-28
公開日2013-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.871 Å)
主引用文献A Different Fold with an Integrin-Binding Loop Specialized for Flexibility in Mucosal Addressin Cell Adhesion Molecule-1
TO BE PUBLISHED
4HCR
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BU of 4hcr by Molmil
Crystal structure of human MAdCAM-1 D1D2 complexed with Fab PF-547659
分子名称: Mucosal addressin cell adhesion molecule 1, PF-547659 heavy chain, PF-547659 light chain
著者Springer, T, Yu, Y, Zhu, J.
登録日2012-10-01
公開日2013-01-23
最終更新日2021-05-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Different Fold with an Integrin-Binding Loop Specialized for Flexibility in Mucosal Addressin Cell Adhesion Molecule-1
TO BE PUBLISHED
5C14
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BU of 5c14 by Molmil
Crystal structure of PECAM-1 D1D2 domain
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Zhou, D, Paddock, C, Newman, P, Zhu, J.
登録日2015-06-12
公開日2016-01-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for PECAM-1 homophilic binding.
Blood, 127, 2016
6J31
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BU of 6j31 by Molmil
Crystal Structure Analysis of the Glycotransferase of kitacinnamycin
分子名称: (2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid), DBB-DSG-VAL-MEA-VAL-GLY-GLY-DVA-DLE, kcn28
著者Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M.
登録日2019-01-03
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Genome mining and biosynthesis of kitacinnamycins as a STING activator.
Chem Sci, 10, 2019
6J32
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BU of 6j32 by Molmil
Crystal Structure Analysis of the Glycotransferase of kitacinnamycin
分子名称: Kcn28
著者Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M.
登録日2019-01-03
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Genome mining and biosynthesis of kitacinnamycins as a STING activator.
Chem Sci, 10, 2019

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