6AUA
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5MW6
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![BU of 5mw6 by Molmil](/molmil-images/mine/5mw6) | Crystal structure of the BCL6 BTB-domain with compound 1 | Descriptor: | 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine, B-cell lymphoma 6 protein | Authors: | Davies, D.R, Kessler, D. | Deposit date: | 2017-01-18 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep, 20, 2017
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8ELS
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![BU of 8els by Molmil](/molmil-images/mine/8els) | HRAS R97A Crystal Form 1 R-state | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Davis, D, Johnson, C.W, Mattos, C. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | Allosteric site variants affect GTP hydrolysis on Ras. Protein Sci., 32, 2023
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7UMP
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![BU of 7ump by Molmil](/molmil-images/mine/7ump) | CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, Egl nine homolog 1, FE (II) ION, ... | Authors: | Davie, D.R, Abendroth, J, Boyd, J. | Deposit date: | 2022-04-07 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia. J.Pharmacol.Exp.Ther., 383, 2022
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1GK5
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![BU of 1gk5 by Molmil](/molmil-images/mine/1gk5) | Solution Structure the mEGF/TGFalpha44-50 chimeric growth factor | Descriptor: | Pro-epidermal growth factor,Protransforming growth factor alpha | Authors: | Chamberlin, S.G, Brennan, L, Puddicombe, S.M, Davies, D.E, Turner, D.L. | Deposit date: | 2001-08-08 | Release date: | 2002-08-08 | Last modified: | 2018-03-28 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Megf/Tgfalpha44-50 Chimeric Growth Factor. Eur.J.Biochem., 268, 2001
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4NPC
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![BU of 4npc by Molmil](/molmil-images/mine/4npc) | Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis | Descriptor: | ACETATE ION, Sorbitol dehydrogenase | Authors: | Dranow, D.M, Davies, D.R, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2013-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis To be Published
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1TTQ
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![BU of 1ttq by Molmil](/molmil-images/mine/1ttq) | TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF POTASSIUM AT ROOM TEMPERATURE | Descriptor: | POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE | Authors: | Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex. Biochemistry, 35, 1996
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1TTP
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![BU of 1ttp by Molmil](/molmil-images/mine/1ttp) | TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF CESIUM, ROOM TEMPERATURE | Descriptor: | CESIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE | Authors: | Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R. | Deposit date: | 1995-10-11 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex. Biochemistry, 35, 1996
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1UBS
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![BU of 1ubs by Molmil](/molmil-images/mine/1ubs) | TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) WITH A MUTATION OF LYS 87->THR IN THE B SUBUNIT AND IN THE PRESENCE OF LIGAND L-SERINE | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE, SODIUM ION, ... | Authors: | Rhee, S, Parris, K, Ahmed, S.A, Miles, E.W, Davies, D.R. | Deposit date: | 1995-12-14 | Release date: | 1996-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes. Biochemistry, 36, 1997
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1MCP
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![BU of 1mcp by Molmil](/molmil-images/mine/1mcp) | PHOSPHOCHOLINE BINDING IMMUNOGLOBULIN FAB MC/PC603. AN X-RAY DIFFRACTION STUDY AT 2.7 ANGSTROMS | Descriptor: | IGA-KAPPA MCPC603 FAB (HEAVY CHAIN), IGA-KAPPA MCPC603 FAB (LIGHT CHAIN), SULFATE ION | Authors: | Satow, Y, Cohen, G.H, Padlan, E.A, Davies, D.R. | Deposit date: | 1984-07-09 | Release date: | 1985-01-02 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Phosphocholine binding immunoglobulin Fab McPC603. An X-ray diffraction study at 2.7 A. J.Mol.Biol., 190, 1986
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1AER
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![BU of 1aer by Molmil](/molmil-images/mine/1aer) | DOMAIN III OF PSEUDOMONAS AERUGINOSA EXOTOXIN COMPLEXED WITH BETA-TAD | Descriptor: | 2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZOLE, ADENOSINE MONOPHOSPHATE, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ... | Authors: | Li, M, Dyda, F, Benhar, I, Pastan, I, Davies, D.R. | Deposit date: | 1995-12-11 | Release date: | 1996-06-10 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the catalytic domain of Pseudomonas exotoxin A complexed with a nicotinamide adenine dinucleotide analog: implications for the activation process and for ADP ribosylation Proc.Natl.Acad.Sci.USA, 93, 1996
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1A30
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![BU of 1a30 by Molmil](/molmil-images/mine/1a30) | HIV-1 PROTEASE COMPLEXED WITH A TRIPEPTIDE INHIBITOR | Descriptor: | HIV-1 PROTEASE, TRIPEPTIDE GLU-ASP-LEU | Authors: | Louis, J.M, Dyda, F, Nashed, N.T, Kimmel, A.R, Davies, D.R. | Deposit date: | 1998-01-27 | Release date: | 1998-04-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hydrophilic peptides derived from the transframe region of Gag-Pol inhibit the HIV-1 protease. Biochemistry, 37, 1998
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1A5A
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![BU of 1a5a by Molmil](/molmil-images/mine/1a5a) | CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 | Descriptor: | POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE (ALPHA CHAIN), ... | Authors: | Rhee, S, Miles, E.W, Davies, D.R. | Deposit date: | 1998-02-12 | Release date: | 1998-05-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49. J.Biol.Chem., 273, 1998
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1A5B
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![BU of 1a5b by Molmil](/molmil-images/mine/1a5b) | CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHA D60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 | Descriptor: | INDOLE-3-GLYCEROL PHOSPHATE, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Rhee, S, Miles, E.W, Davies, D.R. | Deposit date: | 1998-02-12 | Release date: | 1998-05-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49. J.Biol.Chem., 273, 1998
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2APR
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5VPV
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4APR
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6APR
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5APR
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2A0Z
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![BU of 2a0z by Molmil](/molmil-images/mine/2a0z) | The molecular structure of toll-like receptor 3 ligand binding domain | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bell, J.K, Botos, I, Hall, P.R, Askins, J, Shiloach, J, Segal, D.M, Davies, D.R. | Deposit date: | 2005-06-17 | Release date: | 2005-08-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The molecular structure of the Toll-like receptor 3 ligand-binding domain Proc.Natl.Acad.Sci.USA, 102, 2005
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3HFM
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7AJR
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![BU of 7ajr by Molmil](/molmil-images/mine/7ajr) | Virtual screening approach leading to the identification of a novel and tractable series of Pseudomonas aeruginosa elastase inhibitors | Descriptor: | 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid, Keratinase KP2, SULFATE ION, ... | Authors: | Leiris, S, Davies, D.T, Sprinsky, N, Castandet, J, Behria, L, Bodnarchuk, M.S, Sutton, J.M, Mullins, T.M.G, Jones, M.W, Forrest, A.K, Pallin, T.D, Karunakar, P, Martha, S.K, Parusharamulu, B, Ramula, R, Kotha, V, Pottabathini, N, Pothukanuri, S, Lemonnier, M, Everett, M. | Deposit date: | 2020-09-29 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual Screening Approach to Identifying a Novel and Tractable Series of Pseudomonas aeruginosa Elastase Inhibitors. Acs Med.Chem.Lett., 12, 2021
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1ITG
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![BU of 1itg by Molmil](/molmil-images/mine/1itg) | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HIV-1 INTEGRASE: SIMILARITY TO OTHER POLYNUCLEOTIDYL TRANSFERASES | Descriptor: | CACODYLATE ION, HIV-1 INTEGRASE | Authors: | Dyda, F, Hickman, A.B, Jenkins, T.M, Engelman, A, Craigie, R, Davies, D.R. | Deposit date: | 1994-11-21 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases. Science, 266, 1994
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1ZYM
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![BU of 1zym by Molmil](/molmil-images/mine/1zym) | AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI | Descriptor: | ENZYME I | Authors: | Liao, D.-I, Davies, D.R. | Deposit date: | 1996-05-21 | Release date: | 1996-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The first step in sugar transport: crystal structure of the amino terminal domain of enzyme I of the E. coli PEP: sugar phosphotransferase system and a model of the phosphotransfer complex with HPr. Structure, 4, 1996
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2MCP
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