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3GIQ
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BU of 3giq by Molmil
Crystal structure of N-acyl-D-Glutamate Deacylase from Bordetella Bronchiseptica complexed with zinc and phosphonate inhibitor, a mimic of the reaction tetrahedral intermediate.
Descriptor: N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid, N-acyl-D-glutamate deacylase, ZINC ION
Authors:Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C.
Deposit date:2009-03-05
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Annotating enzymes of uncertain function: the deacylation of D-amino acids by members of the amidohydrolase superfamily.
Biochemistry, 48, 2009
6HFP
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BU of 6hfp by Molmil
Human dihydroorotase mutant F1563T co-crystallized with carbamoyl aspartate at pH 7.0
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1982286 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
6HG3
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BU of 6hg3 by Molmil
Hybrid dihydroorotase domain of human CAD with E. coli flexible loop, bound to dihydroorotate
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:Ramon-Maiques, S, Del Cano-Ochoa, F.
Deposit date:2018-08-22
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
4RGW
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BU of 4rgw by Molmil
Crystal Structure of a TAF1-TAF7 Complex in Human Transcription Factor IID
Descriptor: GLYCEROL, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 7
Authors:Wang, H, Curran, E.C, Hinds, T.R, Wang, E.H, Zheng, N.
Deposit date:2014-09-30
Release date:2014-12-03
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Crystal structure of a TAF1-TAF7 complex in human transcription factor IID reveals a promoter binding module.
Cell Res., 24, 2014
4NMO
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BU of 4nmo by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-1)(ANSRWPTS[Ac-K]I)
Descriptor: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36(Ac-K-1) peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-11-15
Release date:2014-10-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Chemically Modified Peptide Scaffolds Target the CFTR-Associated Ligand PDZ Domain.
Plos One, 9, 2014
6HFI
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BU of 6hfi by Molmil
Human dihydroorotase mutant F1563A apo structure
Descriptor: CAD protein, FORMIC ACID, ZINC ION
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45994723 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
3G5F
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BU of 3g5f by Molmil
Crystallographic analysis of cytochrome P450 cyp121
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Belin, P, Le Du, M.H, Gondry, M.
Deposit date:2009-02-05
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
4NLC
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BU of 4nlc by Molmil
Crystal structure of the catalytic core of RRP6 from Trypanosoma brucei, mutant C496S
Descriptor: DI(HYDROXYETHYL)ETHER, Ribosomal RNA processing protein 6
Authors:Barbosa, R.L, Guimaraes, B.G.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:RRP6 from Trypanosoma brucei: Crystal Structure of the Catalytic Domain, Association with EAP3 and Activity towards Structured and Non-Structured RNA Substrates
Plos One, 9, 2014
5WXX
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BU of 5wxx by Molmil
Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with citrate
Descriptor: CITRIC ACID, McyF
Authors:Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z.
Deposit date:2017-01-09
Release date:2018-01-17
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the catalysis and substrate specificity of cyanobacterial aspartate racemase McyF.
Biochem.Biophys.Res.Commun., 514, 2019
3QOA
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BU of 3qoa by Molmil
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-Benzylpyridine.
Descriptor: 4-benzylpyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ...
Authors:Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R.
Deposit date:2011-02-09
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains.
Mol.Pharmacol., 80, 2011
5UNJ
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BU of 5unj by Molmil
Structure of Human Liver Receptor Homolog 1 in complex with PGC1a and RJW100
Descriptor: (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Peroxisome proliferator-activated gamma coactivator 1-alpha
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2017-01-31
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.959 Å)
Cite:Structure and Dynamics of the Liver Receptor Homolog 1-PGC1 alpha Complex.
Mol. Pharmacol., 92, 2017
4O0J
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BU of 4o0j by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-13
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
5UZG
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BU of 5uzg by Molmil
Crystal structure of Glorund qRRM1 domain
Descriptor: AT27789p, GLYCEROL, SULFATE ION
Authors:Teramoto, T, Hall, T.M.T.
Deposit date:2017-02-26
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The Drosophila hnRNP F/H Homolog Glorund Uses Two Distinct RNA-Binding Modes to Diversify Target Recognition.
Cell Rep, 19, 2017
4RKI
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BU of 4rki by Molmil
Crystal structure of sliding beta clamp from Helicobacter pylori
Descriptor: DNA polymerase III subunit beta
Authors:Satyawali, P, Tarique, K.F, Abdul Rehman, S.A, Gourinath, S.
Deposit date:2014-10-13
Release date:2016-01-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insight into beta-Clamp and its interaction with DNA Ligase in Helicobacter pylori.
Sci Rep, 6, 2016
6IJX
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BU of 6ijx by Molmil
Crystal Structure of AKR1C1 complexed with meclofenamic acid
Descriptor: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X.
Deposit date:2018-10-12
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
4OU3
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BU of 4ou3 by Molmil
Crystal structure of porcine aminopeptidase N complexed with CNGRCG tumor-homing peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ...
Authors:Liu, C, Yang, Y, Chen, L, Lin, Y.-L, Li, F.
Deposit date:2014-02-14
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Unified Mechanism for Aminopeptidase N-based Tumor Cell Motility and Tumor-homing Therapy.
J.Biol.Chem., 289, 2014
4RWL
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BU of 4rwl by Molmil
Crystal structure of FGFR1 (C488A, C584C) in complex with 6-(7-((1-aminocyclopropyl) methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide (E3810)
Descriptor: 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Sohl, C.D, Anderson, K.S.
Deposit date:2014-12-04
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
4TR7
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BU of 4tr7 by Molmil
Crystal structure of DNA polymerase sliding clamp from Mycobaterium tuberculosis
Descriptor: DNA polymerase III subunit beta
Authors:Olieric, V, Burnouf, D, Ennifar, E, Wolff, P.
Deposit date:2014-06-14
Release date:2014-09-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Differential Modes of Peptide Binding onto Replicative Sliding Clamps from Various Bacterial Origins.
J.Med.Chem., 57, 2014
4MTY
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BU of 4mty by Molmil
Structure at 1A resolution of a helical aromatic foldamer-protein complex.
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y.
Deposit date:2013-09-20
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution.
Angew.Chem.Int.Ed.Engl., 53, 2014
4MWB
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BU of 4mwb by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1509)
Descriptor: 1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MTX
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BU of 4mtx by Molmil
Structure of the ERS1 dimerization and histidine phosphotransfer domain from Arabidopsis thaliana
Descriptor: Ethylene response sensor 1
Authors:Mayerhofer, H, Mueller-Dieckmann, J.
Deposit date:2013-09-20
Release date:2014-10-01
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Model of the Cytosolic Domain of the Plant Ethylene Receptor 1 (ETR1).
J.Biol.Chem., 290, 2015
4MW9
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BU of 4mw9 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1478)
Descriptor: 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4TR8
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BU of 4tr8 by Molmil
Crystal structure of DNA polymerase sliding clamp from Pseudomonas aeruginosa
Descriptor: DNA polymerase III subunit beta, SODIUM ION
Authors:Olieric, V, Burnouf, D, Ennifar, E, Wolff, P.
Deposit date:2014-06-15
Release date:2014-09-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Differential Modes of Peptide Binding onto Replicative Sliding Clamps from Various Bacterial Origins.
J.Med.Chem., 57, 2014
4RTT
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BU of 4rtt by Molmil
Cyrstal structure of SLIT-ROBO Rho GTPase-activating protein 2 fragment
Descriptor: SLIT-ROBO Rho GTPase-activating protein 2, SULFATE ION
Authors:Opatowsky, Y, Guez-Hadad, J.
Deposit date:2014-11-16
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The Neuronal Migration Factor srGAP2 Achieves Specificity in Ligand Binding through a Two-Component Molecular Mechanism.
Structure, 23, 2015
4N5A
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BU of 4n5a by Molmil
Crystal structure of Efr3
Descriptor: Protein EFR3
Authors:Wu, X, Chi, R.J, Baskin, J.M, Lucast, L, Burd, C.G, De Camilli, P, Reinisch, K.M.
Deposit date:2013-10-09
Release date:2014-01-22
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (3.204 Å)
Cite:Structural insights into assembly and regulation of the plasma membrane phosphatidylinositol 4-kinase complex.
Dev.Cell, 28, 2014

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数据于2024-07-17公开中

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