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PDB: 511 results

5VR7
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BU of 5vr7 by Molmil
ABA-mimicking ligand AMF1alpha in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
Authors:Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K.
Deposit date:2017-05-10
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.612 Å)
Cite:Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
4H6J
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BU of 4h6j by Molmil
Identification of Cys 255 in HIF-1 as a novel site for development of covalent inhibitors of HIF-1 /ARNT PasB domain protein-protein interaction.
Descriptor: ARYL HYDROCARBON NUCLEAR TRANSLOCATOR, HYPOXIA INDUCIBLE FACTOR 1-ALPHA
Authors:Cardoso, R, Love, R.A, Nilsson, C, Bergqvist, S, Nowlin, D, Yan, J, Liu, K, Zhu, J, Chen, P, Deng, Y.-L, Dyson, H.J, Greig, M.J, Brooun, A.
Deposit date:2012-09-19
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Identification of Cys255 in HIF-1 alpha as a novel site for development of covalent inhibitors of HIF-1 alpha /ARNT PasB domain protein-protein interaction.
Protein Sci., 21, 2012
5V67
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BU of 5v67 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH Volasertib
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E.
Deposit date:2017-03-16
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
5VBR
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BU of 5vbr by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH Volasertib
Descriptor: 1,2-ETHANEDIOL, Bromodomain testis-specific protein, CHLORIDE ION, ...
Authors:EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E.
Deposit date:2017-03-30
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
4EII
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BU of 4eii by Molmil
Unliganded E. cloacae R91K MurA
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, TRIETHYLENE GLYCOL, ...
Authors:Han, H, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2012-04-05
Release date:2013-04-10
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Open-close transition of MurA
To be Published
4G5Q
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BU of 4g5q by Molmil
Structure of LGN GL4/Galphai1 complex
Descriptor: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
Deposit date:2012-07-18
Release date:2012-09-05
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from G alpha i.
J.Biol.Chem., 287, 2012
4HBQ
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BU of 4hbq by Molmil
Crystal structure of a loop deleted mutant of Human MAdCAM-1 D1D2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Mucosal addressin cell adhesion molecule 1, ...
Authors:Springer, T, Yu, Y, Zhu, J.
Deposit date:2012-09-28
Release date:2013-01-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Different Fold with an Integrin-Binding Loop Specialized for Flexibility in Mucosal Addressin Cell Adhesion Molecule-1
TO BE PUBLISHED
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
Descriptor: 10G3 heavy chain, 10G3 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Springer, T, Yu, Y, Zhu, J.
Deposit date:2012-09-28
Release date:2013-01-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.871 Å)
Cite: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
Descriptor: Mucosal addressin cell adhesion molecule 1, PF-547659 heavy chain, PF-547659 light chain
Authors:Springer, T, Yu, Y, Zhu, J.
Deposit date:2012-10-01
Release date:2013-01-23
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Different Fold with an Integrin-Binding Loop Specialized for Flexibility in Mucosal Addressin Cell Adhesion Molecule-1
TO BE PUBLISHED
4HD9
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BU of 4hd9 by Molmil
Crystal structure of native human MAdCAM-1 D1D2 domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Mucosal addressin cell adhesion molecule 1
Authors:Springer, T, Yu, Y, Zhu, J.
Deposit date:2012-10-02
Release date:2013-01-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Different Fold with an Integrin-Binding Loop Specialized for Flexibility in Mucosal Addressin Cell Adhesion Molecule-1
TO BE PUBLISHED
4HK6
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BU of 4hk6 by Molmil
Crystal structure of Cordyceps militaris IDCase in complex with 5-nitro-uracil
Descriptor: 5-nitrouracil, Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Zhu, J, Ding, J.
Deposit date:2012-10-15
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: URACIL, Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Zhu, J, Ding, J.
Deposit date:2012-10-15
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.189 Å)
Cite: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
Descriptor: Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Zhu, J, Ding, J.
Deposit date:2012-10-15
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
8INB
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BU of 8inb by Molmil
Cryo-EM structure of Cas12j-SF05-crRNA-dsDNA complex
Descriptor: Cas12j-SF05, NTS-DNA, TS-DNA, ...
Authors:Zhang, X, Duan, Z.Q, Zhu, J.K.
Deposit date:2023-03-09
Release date:2024-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis for DNA cleavage by the hypercompact Cas12j-SF05.
Cell Discov, 9, 2023
7VFP
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BU of 7vfp by Molmil
Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with heme and single ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
Authors:Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P.
Deposit date:2021-09-13
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
7YLO
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BU of 7ylo by Molmil
Conversion of indole-3-acetic acid into indole-3-aldehyde in bacteria Metabolic network of tryptophan around the indole-3-aldehyde formation
Descriptor: Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cheng, J, Luo, Y, Zhu, J, Tan, R, Wang, N, Lebedev, A.A.
Deposit date:2022-07-26
Release date:2023-07-05
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Molecular Insights into the One-Carbon Loss Oxidation of Indole-3-acetic Acid
Acs Catalysis, 14, 2024
7WCC
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BU of 7wcc by Molmil
Oxidase ChaP-D49L/Q91C mutant
Descriptor: ChaP, FE (III) ION
Authors:Sun, M.X, Zheng, W, Wang, Y.S, Zhu, J.P, Tan, R.X.
Deposit date:2021-12-19
Release date:2023-05-24
Last modified:2024-12-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
5YBE
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BU of 5ybe by Molmil
Structure of KANK1/KIF21A complex
Descriptor: 1,2-ETHANEDIOL, KIF21A, Kank1 protein
Authors:Weng, Z.F, Shang, Y, Yao, D.Q, Zhu, J.W, Zhang, R.G.
Deposit date:2017-09-04
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Structural analyses of key features in the KANK1/KIF21A complex yield mechanistic insights into the cross-talk between microtubules and the cell cortex.
J. Biol. Chem., 293, 2018
5ZYS
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BU of 5zys by Molmil
Structure of Nephrin/MAGI1 complex
Descriptor: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, Nephrin
Authors:Weng, Z.F, Shng, Y, Zhu, J.W, Zhang, R.G.
Deposit date:2018-05-28
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis of Highly Specific Interaction between Nephrin and MAGI1 in Slit Diaphragm Assembly and Signaling.
J. Am. Soc. Nephrol., 29, 2018
6ALJ
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BU of 6alj by Molmil
ALDH1A2 liganded with NAD and compound WIN18,446
Descriptor: Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-08-08
Release date:2018-01-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5H
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BU of 6b5h by Molmil
ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Descriptor: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
3UAT
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BU of 3uat by Molmil
Guanylate Kinase Domains of the MAGUK Family Scaffold Proteins as Specific Phospho-Protein Binding Modules
Descriptor: Disks large homolog 1, phosphor-LGN peptide
Authors:Shang, Y, Zhu, J, Wen, W, Zhang, M.
Deposit date:2011-10-22
Release date:2011-12-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Guanylate kinase domains of the MAGUK family scaffold proteins as specific phospho-protein-binding modules
Embo J., 2011
8W6E
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BU of 8w6e by Molmil
De novo design of HBC599 binder
Descriptor: 4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile, HBC599 in complex with wFAP1.1
Authors:Liang, M.F, Zhu, J.Y, Lu, P.L.
Deposit date:2023-08-28
Release date:2024-11-27
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of transmembrane fluorescence-activating proteins.
Nature, 640, 2025

235666

数据于2025-05-07公开中

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