7L01
 
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM782 (N-(1-(5-cyano-1H-pyrazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2020-12-10 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
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4HXM
 | | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | | Descriptor: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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5TDM
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5O6R
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6IG6
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6IH1
 | | Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - c-di-GMP bound form | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, cyclic di nucleotide phoshodiesterase | | Authors: | Yadav, M, Pal, K, Sen, U. | | Deposit date: | 2018-09-28 | | Release date: | 2019-10-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of c-di-GMP/cGAMP degrading phosphodiesterase VcEAL: identification of a novel conformational switch and its implication.
Biochem.J., 476, 2019
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6IHH
 | | Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O | | Descriptor: | (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2018-09-30 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
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5O6Y
 | | Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, ... | | Authors: | Fadouloglou, V.E, Kotsifaki, D, Kokkinidis, M. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Crystal structure of the Bc1960 peptidoglycan N-acetylglucosamine deacetylase in complex with 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
To Be Published
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1CNO
 | | STRUCTURE OF PSEUDOMONAS NAUTICA CYTOCHROME C552, BY MAD METHOD | | Descriptor: | CYTOCHROME C552, GLYCEROL, HEME C | | Authors: | Brown, K, Nurizzo, D, Cambillau, C. | | Deposit date: | 1998-08-03 | | Release date: | 1999-07-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | MAD structure of Pseudomonas nautica dimeric cytochrome c552 mimicks the c4 Dihemic cytochrome domain association.
J.Mol.Biol., 289, 1999
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7NB0
 | | Structure of the DNA-binding domain of SEPALLATA 3 | | Descriptor: | Developmental protein SEPALLATA 3 | | Authors: | Zubieta, C, Nanao, M.H. | | Deposit date: | 2021-01-25 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The intervening domain is required for DNA-binding and functional identity of plant MADS transcription factors.
Nat Commun, 12, 2021
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5O9G
 | | Structure of nucleosome-Chd1 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chromo domain-containing protein 1, ... | | Authors: | Farnung, L, Vos, S.M, Wigge, C, Cramer, P. | | Deposit date: | 2017-06-19 | | Release date: | 2017-10-11 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Nucleosome-Chd1 structure and implications for chromatin remodelling.
Nature, 550, 2017
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6IF2
 | | Complex structure of Rab35 and its effector RUSC2 | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Iporin, MAGNESIUM ION, ... | | Authors: | Lin, L, Zhu, J, Zhang, R. | | Deposit date: | 2018-09-18 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rab35/ACAP2 and Rab35/RUSC2 Complex Structures Reveal Molecular Basis for Effector Recognition by Rab35 GTPase.
Structure, 27, 2019
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5O81
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5W1J
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5VSA
 | | Crystal structure of SsoPox AsA1 mutant (C258L-I261F-W263A) | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (II) ION, ... | | Authors: | Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M. | | Deposit date: | 2017-05-11 | | Release date: | 2018-01-10 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
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7MWY
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5OCV
 | | A Rare Lysozyme Crystal Form Solved Using High-Redundancy 3D Electron Diffraction Data from Micron-Sized Needle Shaped Crystals | | Descriptor: | Lysozyme C, SODIUM ION | | Authors: | Xu, H, Lebrette, H, Yang, T, Srinivas, V, Hovmoller, S, Hogbom, M, Zou, X. | | Deposit date: | 2017-07-03 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.2 Å) | | Cite: | A Rare Lysozyme Crystal Form Solved Using Highly Redundant Multiple Electron Diffraction Datasets from Micron-Sized Crystals.
Structure, 26, 2018
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7MWZ
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5OD1
 | | Structure of the engineered metalloesterase MID1sc10 complexed with a phosphonate transition state analogue | | Descriptor: | GLYCEROL, MID1sc10, ZINC ION, ... | | Authors: | Mittl, P.R.E, Studer, S, Hansen, D.A, Hilvert, D. | | Deposit date: | 2017-07-04 | | Release date: | 2018-12-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Science, 362, 2018
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8Q3C
 | | Structure of Selenomonas ruminantium lactate dehydrogenase I85R mutant | | Descriptor: | CHLORIDE ION, L-lactate dehydrogenase, NITRATE ION, ... | | Authors: | Bertrand, Q, Coquille, S, Iorio, A, Sterpone, F, Madern, D. | | Deposit date: | 2023-08-03 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases.
J.Struct.Biol., 215, 2023
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4HXL
 | | Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor | | Descriptor: | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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5W4Y
 | | Crystal Structure of Riboflavin Lyase (RcaE) with cofactor FMN | | Descriptor: | FLAVIN MONONUCLEOTIDE, Riboflavin Lyase | | Authors: | Bhandari, D.M, Chakrabarty, Y, Zhao, B, Wood, J, Li, P, Begley, T.P. | | Deposit date: | 2017-06-13 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cannibalism Among the Flavins: a Novel C-N Bond Cleavage in Riboflavin Catabolism Mediated by Flavin-Generated Superoxide Radical
To be Published
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6IK7
 | | Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,3-galactobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ... | | Authors: | Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M. | | Deposit date: | 2018-10-15 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
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5VWS
 | | Ligand free structure of Cytochrome P450 TbtJ1 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A. | | Deposit date: | 2017-05-22 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.411 Å) | | Cite: | P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides.
ACS Chem. Biol., 12, 2017
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8Q2E
 | | The 1.68-A X-ray crystal structure of Sporosarcina pasteurii urease inhibited by thiram and bound to dimethylditiocarbamate | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Ciurli, S. | | Deposit date: | 2023-08-02 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Kinetic and structural details of urease inactivation by thiuram disulphides.
J.Inorg.Biochem., 250, 2023
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