5N3V
| Thermolysin in complex with inhibitor JC292 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2017-02-09 | Release date: | 2017-06-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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1FQL
| X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT | Descriptor: | CARBONIC ANHYDRASE, MERCURY (II) ION, ZINC ION | Authors: | Cox, J.D, Hunt, J.A, Compher, K.M, Fierke, C.A, Christianson, D.W. | Deposit date: | 2000-09-05 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural influence of hydrophobic core residues on metal binding and specificity in carbonic anhydrase II. Biochemistry, 39, 2000
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4OK3
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1A8V
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5TI5
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841880 | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E. | Deposit date: | 2016-10-01 | Release date: | 2017-08-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. ACS Omega, 2, 2017
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5TI6
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841881 | Descriptor: | 1,2-ETHANEDIOL, 2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E. | Deposit date: | 2016-10-01 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. ACS Omega, 2, 2017
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2OLC
| Crystal structure of 5-methylthioribose kinase in complex with ADP-2Ho | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ADENOSINE-5'-DIPHOSPHATE, HOLMIUM ATOM, ... | Authors: | Ku, S.Y, Smith, G.D, Howell, P.L. | Deposit date: | 2007-01-18 | Release date: | 2007-05-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | ADP-2Ho as a phasing tool for nucleotide-containing proteins. Acta Crystallogr.,Sect.D, 63, 2007
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2E48
| Crystal Structure of Human D-Amino Acid Oxidase: Substrate-Free Holoenzyme | Descriptor: | D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kawazoe, T, Tsuge, H, Imagawa, T, Fukui, K. | Deposit date: | 2006-12-05 | Release date: | 2007-03-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis. Biochem.Biophys.Res.Commun., 355, 2007
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5TI4
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841871 | Descriptor: | 1,2-ETHANEDIOL, 3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E. | Deposit date: | 2016-09-30 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. ACS Omega, 2, 2017
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5HUT
| Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP-glucose | Descriptor: | Alpha,alpha-trehalose-phosphate synthase [UDP-forming], PENTAETHYLENE GLYCOL, SODIUM ION, ... | Authors: | Miao, Y, Brennan, R.G. | Deposit date: | 2016-01-27 | Release date: | 2017-05-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design. MBio, 8, 2017
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4GVY
| Crystal structure of arginine kinase in complex with L-citrulline and MgADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, CITRULLINE, ... | Authors: | Clark, S.A, Davulcu, O, Chapman, M.S. | Deposit date: | 2012-08-31 | Release date: | 2012-10-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs. Biochem.Biophys.Res.Commun., 427, 2012
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2V7L
| PrnB 7Cl-L-tryptophan complex | Descriptor: | 7-CHLOROTRYPTOPHAN, PRNB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Naismith, J.H. | Deposit date: | 2007-07-30 | Release date: | 2007-08-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily. Biochemistry, 46, 2007
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3RNZ
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2E4A
| Crystal Structure of Human D-Amino Acid Oxidase in complex with o-aminobenzoate | Descriptor: | 2-AMINOBENZOIC ACID, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kawazoe, T, Tsuge, H, Imagawa, T, Fukui, K. | Deposit date: | 2006-12-05 | Release date: | 2007-03-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis. Biochem.Biophys.Res.Commun., 355, 2007
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3O6X
| Crystal Structure of the type III Glutamine Synthetase from Bacteroides fragilis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamine synthetase, ... | Authors: | van Rooyen, J.M, Belrhali, H, Abratt, V.R, Sewell, B.T. | Deposit date: | 2010-07-29 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal Structure of Type III Glutamine Synthetase: Surprising Reversal of the Inter-Ring Interface. Structure, 19, 2011
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3MBP
| MALTODEXTRIN-BINDING PROTEIN WITH BOUND MALTOTRIOSE | Descriptor: | MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Spurlino, J.C, Quiocho, F.A. | Deposit date: | 1997-06-25 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor. Structure, 5, 1997
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4OK5
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1BVA
| MANGANESE BINDING MUTANT IN CYTOCHROME C PEROXIDASE | Descriptor: | MANGANESE (II) ION, PROTEIN (CYTOCHROME C PEROXIDASE), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wilcox, S.K, Mcree, D.E, Goodin, D.B. | Deposit date: | 1998-09-15 | Release date: | 1998-12-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Rational design of a functional metalloenzyme: introduction of a site for manganese binding and oxidation into a heme peroxidase. Biochemistry, 37, 1998
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1CD9
| 2:2 COMPLEX OF G-CSF WITH ITS RECEPTOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (G-CSF RECEPTOR), PROTEIN (GRANULOCYTE COLONY-STIMULATING FACTOR) | Authors: | Aritomi, M, Kunishima, N, Okamoto, T, Kuroki, R, Ota, Y, Morikawa, K. | Deposit date: | 1999-03-08 | Release date: | 2000-03-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atomic structure of the GCSF-receptor complex showing a new cytokine-receptor recognition scheme. Nature, 401, 1999
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3H8N
| Crystal Structure Analysis of KIR2DS4 | Descriptor: | Killer cell immunoglobulin-like receptor 2DS4 | Authors: | Graef, T, Bushnell, D.A, Parham, P. | Deposit date: | 2009-04-29 | Release date: | 2009-10-20 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | KIR2DS4 is a product of gene conversion with KIR3DL2 that introduced specificity for HLA-A*11 while diminishing avidity for HLA-C. J.Exp.Med., 206, 2009
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1Z8A
| Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor | Descriptor: | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | Authors: | Steuber, H, Zentgraf, M, Podjarny, A, Heine, A, Klebe, G. | Deposit date: | 2005-03-30 | Release date: | 2006-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group. J.Mol.Biol., 356, 2006
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7LUL
| Structure of the MM2 Erbin PDZ variant in complex with a high-affinity peptide | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Singer, A.U, Teyra, J, McLaughlin, M, Ernst, A, Sicheri, F, Sidhu, S.S. | Deposit date: | 2021-02-22 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Comprehensive Assessment of the Relationship Between Site -2 Specificity and Helix alpha 2 in the Erbin PDZ Domain. J.Mol.Biol., 433, 2021
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2E49
| Crystal Structure of Human D-Amino Acid Oxidase in Complex with Imino-Serine | Descriptor: | 3-hydroxy-2-iminopropanoic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kawazoe, T, Tsuge, H, Imagawa, T, Fukui, K. | Deposit date: | 2006-12-05 | Release date: | 2007-03-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis. Biochem.Biophys.Res.Commun., 355, 2007
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4GVZ
| Crystal structure of arginine kinase in complex with D-arginine, MgADP, and nitrate. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, D-ARGININE, ... | Authors: | Clark, S.A, Davulcu, O, Chapman, M.S. | Deposit date: | 2012-08-31 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs. Biochem.Biophys.Res.Commun., 427, 2012
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2PE6
| Non-covalent complex between human SUMO-1 and human Ubc9 | Descriptor: | SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1 | Authors: | Capili, A.D, Lima, C.D. | Deposit date: | 2007-04-02 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and Analysis of a Complex between SUMO and Ubc9 Illustrates Features of a Conserved E2-Ubl Interaction. J.Mol.Biol., 369, 2007
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