5DDM
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5CWY
| Structure of Xoo1075, a peptide deformylase from Xanthomonas oryze pv oryzae, in complex with fragment 83 | Descriptor: | 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID, ACETATE ION, CADMIUM ION, ... | Authors: | Ngo, H.P.T, Kang, L.W. | Deposit date: | 2015-07-28 | Release date: | 2016-08-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Xoo1075, a peptide deformylase from Xanthomonas oryze pv oryzae, in complex with fragment 83 To Be Published
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1DX5
| Crystal structure of the thrombin-thrombomodulin complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FORMIC ACID, ... | Authors: | Fuentes-Prior, P, Iwanaga, Y, Huber, R, Pagila, R, Rumennik, G, Seto, M, Morser, J, Light, D.R, Bode, W. | Deposit date: | 1999-12-20 | Release date: | 2000-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis for the Anticoagulant Activity of the Thrombin-Thrombomodulin Complex Nature, 404, 2000
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6Q0F
| Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-valine | Descriptor: | CHLORIDE ION, Putative methyl-accepting chemotaxis protein, SODIUM ION, ... | Authors: | Ud-Din, I.A, Khan, M.F, Roujeinikova, A. | Deposit date: | 2019-08-01 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket. Mol.Plant Microbe Interact., 33, 2020
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6FT8
| Crystal structure of CLK1 in complex with inhibitor 8g | Descriptor: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one, CHLORIDE ION, ... | Authors: | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-20 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype. PLoS ONE, 13, 2018
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6Q8R
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6FP4
| Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | Deposit date: | 2018-02-09 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry. ACS Chem. Biol., 13, 2018
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1EBU
| HOMOSERINE DEHYDROGENASE COMPLEX WITH NAD ANALOGUE AND L-HOMOSERINE | Descriptor: | 3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE, HOMOSERINE DEHYDROGENASE, L-HOMOSERINE, ... | Authors: | DeLaBarre, B, Thompson, P.R, Wright, G.D, Berghuis, A.M. | Deposit date: | 2000-01-24 | Release date: | 2000-03-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of homoserine dehydrogenase suggest a novel catalytic mechanism for oxidoreductases. Nat.Struct.Biol., 7, 2000
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5D18
| Crystal structure of Mycobacterium tuberculosis Rv0302, form I | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ISOPROPYL ALCOHOL, SODIUM ION, ... | Authors: | Chou, T.-H, Delmar, J, Su, C.-C, Yu, E. | Deposit date: | 2015-08-04 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of the Mycobacterium tuberculosis transcriptional regulator Rv0302. Protein Sci., 2015
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6R89
| Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-cysteine | Descriptor: | CHLORIDE ION, CYSTEINE, GLYCEROL, ... | Authors: | Alfieri, A, Pederzoli, R, Costa, A. | Deposit date: | 2019-04-01 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel. Proc.Natl.Acad.Sci.USA, 117, 2020
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6FKY
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5DGW
| Crystal Structure of HIV-1 Protease Inhibitor GRL-105-11A Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand | Descriptor: | (3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Pol protein, ... | Authors: | Agniswamy, J, Wang, Y.-F, Weber, I.T. | Deposit date: | 2015-08-28 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Org.Biomol.Chem., 13, 2015
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6SFO
| MAPK14 with bound inhibitor SR-318 | Descriptor: | 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | Authors: | Schroeder, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | MAPK14 with bound inhibitor SR-318 To Be Published
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5D3D
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5D9T
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6SDL
| Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Gerber, H.D, Heine, A, Klebe, G. | Deposit date: | 2019-07-28 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide To Be Published
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5CY7
| Structure of Xoo1075, a peptide deformylase from Xanthomonas oryze pv oryze, in complex with fragment 275 | Descriptor: | 2-(difluoromethyl)-1H-benzimidazole, ACETATE ION, CADMIUM ION, ... | Authors: | Ngo, H.P.T, Kang, L.W. | Deposit date: | 2015-07-30 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Xoo1075, a peptide deformylase from Xanthomonas oryze pv oryze, in complex with fragment 275 To Be Published
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5D49
| Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination | Descriptor: | ACETATE ION, DNA (5'-D(*AP*AP*AP*AP*A)-3'), DNA (5'-D(*AP*AP*AP*AP*AP*C)-3'), ... | Authors: | Loc'h, J, Rosario, S, Delarue, M. | Deposit date: | 2015-08-07 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination. Structure, 24, 2016
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6G8K
| 14-3-3sigma in complex with a S131beta3S mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-BSE-LEU-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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6GED
| Adhesin domain of PrgB from Enterococcus faecalis bound to DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(P*CP*GP*GP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*CP*GP*GP*CP*CP*CP*G)-3'), ... | Authors: | Schmitt, A, Berntsson, R.P.A. | Deposit date: | 2018-04-26 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction. Mol. Microbiol., 109, 2018
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5CXB
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6SG6
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5DRF
| Green/cyan WasCFP-pH5.5 at pH 5.5 | Descriptor: | GLYCEROL, SODIUM ION, WasCFP-pH5.5 at pH 5.5 | Authors: | Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V. | Deposit date: | 2015-09-15 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Crystal structure of pH and T dependent green fluorescent protein WasCFP with Trp based chromophore Russ.J.Bioorganic Chem., 42 (6), 2016
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5DLL
| Aminopeptidase N (pepN) from Francisella tularensis subsp. tularensis SCHU S4 | Descriptor: | Aminopeptidase N, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Borek, D, Raczynska, J, Dubrovska, I, Grimshaw, S, Minasov, G, Shuvalova, L, Kwon, K, Anderson, W.F, Otwinowski, Z, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-09-07 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Aminopeptidase N (pepN) from Francisella tularensis subsp. tularensis SCHU S4 To Be Published
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6G5W
| Crystal Structure of KDM4A with compound YP-03-038 | Descriptor: | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | Malecki, P.H, Carter, D.M, Gohlke, U, Specker, E, Nazare, M, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-03-30 | Release date: | 2019-04-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. J.Med.Chem., 64, 2021
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