2WGY
 
 | | Crystal structure of the G243A mutant of CYP130 from M. tuberculosis | | Descriptor: | CYTOCHROME P450 130, ISOPROPYL ALCOHOL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | | Deposit date: | 2009-04-28 | | Release date: | 2009-05-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.
J. Biol. Chem., 284, 2009
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6HSD
 | | Crystal structure of the oxidized form of the transcription regulator RsrR | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2018-09-30 | | Release date: | 2019-01-30 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Transcription Regulator RsrR Reveals a [2Fe-2S] Cluster Coordinated by Cys, Glu, and His Residues.
J. Am. Chem. Soc., 141, 2019
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3CMT
 | | Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*DTP*DTP*DTP*DTP*DTP*DCP*DCP*DCP*DAP*DCP*DCP*DTP*DTP*DTP*DT)-3'), DNA (5'-D(P*DGP*DGP*DTP*DGP*DGP*DG)-3'), ... | | Authors: | Chen, Z, Yang, H, Pavletich, N.P. | | Deposit date: | 2008-03-24 | | Release date: | 2008-05-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures.
Nature, 453, 2008
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6HT2
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6G5Y
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5Y7Q
 | | Crystal structure of paFAN1 bound to 2nt 5'flap DNA with gap | | Descriptor: | DNA (5'-D(*TP*TP*CP*AP*CP*AP*CP*AP*TP*TP*CP*AP*A)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*AP*CP*TP*T)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ... | | Authors: | Jin, H, Cho, Y. | | Deposit date: | 2017-08-17 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural mechanism of DNA interstrand cross-link unhooking by the bacterial FAN1 nuclease.
J. Biol. Chem., 293, 2018
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4L0F
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7QF8
 | | Crystal structure of a bacterial pyranose 2-oxidase from Pseudoarthrobacter siccitolerans | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase family protein, ... | | Authors: | Borges, P.T, Frazao, T, Taborda, A, Frazao, C, Martins, L.O. | | Deposit date: | 2021-12-04 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms.
Nat Commun, 14, 2023
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6FWG
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with tetramannoside yeast mannan fragment | | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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2W0H
 | | X ray structure of Leishmania infantum Trypanothione reductase in complex with antimony and NADPH | | Descriptor: | ANTIMONY (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Baiocco, P, Colotti, G, Franceschini, S, Ilari, A. | | Deposit date: | 2008-08-18 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular Basis of Antimony Treatment in Leishmaniasis.
J.Med.Chem., 52, 2009
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4L1O
 | | Crystal structure of human ALDH3A1 with inhibitor 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-1H-indole-2,3-dione | | Descriptor: | (3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one, ACETATE ION, Aldehyde dehydrogenase, ... | | Authors: | Hurley, T.D, Parajuli, B. | | Deposit date: | 2013-06-03 | | Release date: | 2014-04-16 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones.
J.Med.Chem., 57, 2014
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6FWM
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme | | Descriptor: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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3JD1
 | | Glutamate dehydrogenase in complex with NADH, closed conformation | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glutamate dehydrogenase 1, mitochondrial | | Authors: | Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. | | Deposit date: | 2016-03-28 | | Release date: | 2016-04-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
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6FWQ
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | | Descriptor: | Glycosyl hydrolase family 71, SODIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-07 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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4L9X
 | | Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli | | Descriptor: | ACETATE ION, Triazine hydrolase | | Authors: | Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C. | | Deposit date: | 2013-06-18 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization.
Appl.Environ.Microbiol., 80, 2014
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2FTW
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6FMD
 | | Targeting myeloid differentiation using potent human dihydroorotate dehydrogenase (hDHODH) inhibitors based on 2-hydroxypyrazolo[1,5-a]pyridine scaffold | | Descriptor: | 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Jarva, M, Andersson, M, Lolli, M.L, Friemann, R. | | Deposit date: | 2018-01-30 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors.
J. Med. Chem., 61, 2018
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7Q0U
 | | Lysozyme soaked with V(IV)OSO4 and bipy | | Descriptor: | 2,2'-bipyridine, ACETATE ION, CHLORIDE ION, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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4L36
 | | Crystal structure of the cytochrome P450 enzyme TxtE | | Descriptor: | HEME B/C, IMIDAZOLE, Putative P450-like protein | | Authors: | Yu, F, Li, M.J, Xu, C.Y, Wang, Z.J, Zhou, H, Yang, M, Chen, Y.X, Tang, L, He, J.H. | | Deposit date: | 2013-06-05 | | Release date: | 2013-12-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Structural Insights into the Mechanism for Recognizing Substrate of the Cytochrome P450 Enzyme TxtE.
Plos One, 8, 2013
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7Q0V
 | | Lysozyme soaked with V(IV)OSO4 and phen | | Descriptor: | 1,10-PHENANTHROLINE, ACETATE ION, CHLORIDE ION, ... | | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
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2VYN
 | | Structure of E.Coli GAPDH Rat Sperm GAPDH heterotetramer | | Descriptor: | FORMIC ACID, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Frayne, J, Taylor, A, Hall, L, Hadfield, A. | | Deposit date: | 2008-07-25 | | Release date: | 2008-08-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Insoluble Rat Sperm Glyceraldehyde-3-Phosphate Dehydrogenase (Gapdh) Via Heterotetramer Formation with Escherichia Coli Gapdh Reveals Target for Contraceptive Design.
J.Biol.Chem., 284, 2009
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6BKX
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1 | | Descriptor: | (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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4RLM
 | | Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with CrystFEL | | Descriptor: | Lysozyme C | | Authors: | Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B. | | Deposit date: | 2014-10-17 | | Release date: | 2015-02-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams.
Acta Crystallogr.,Sect.D, 71, 2015
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3D0O
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6BO1
 | | Mono-adduct formed after 3 days in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL | | Descriptor: | Lysozyme C, SODIUM ION, dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2017-11-17 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct.
Chem. Commun. (Camb.), 54, 2018
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