1HDA
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7S34
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1HDP
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![BU of 1hdp by Molmil](/molmil-images/mine/1hdp) | SOLUTION STRUCTURE OF A POU-SPECIFIC HOMEODOMAIN: 3D-NMR STUDIES OF HUMAN B-CELL TRANSCRIPTION FACTOR OCT-2 | Descriptor: | OCT-2 POU HOMEODOMAIN | Authors: | Sivaraja, M, Botfield, M.C, Mueller, M, Jancso, A, Weiss, M.A. | Deposit date: | 1994-03-08 | Release date: | 1995-01-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a POU-specific homeodomain: 3D-NMR studies of human B-cell transcription factor Oct-2. Biochemistry, 33, 1994
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1HB0
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![BU of 1hb0 by Molmil](/molmil-images/mine/1hb0) | Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes | Descriptor: | CALCIUM ION, ELASTASE 1, SULFATE ION | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | Deposit date: | 2001-04-10 | Release date: | 2001-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
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7S35
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7S2U
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7S2E
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1HEM
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7S84
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![BU of 7s84 by Molmil](/molmil-images/mine/7s84) | Crystal structure of CDK2 liganded with compound TW8972 | Descriptor: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
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1HER
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7S2Q
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7S31
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1H01
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![BU of 1h01 by Molmil](/molmil-images/mine/1h01) | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2002-06-10 | Release date: | 2003-07-11 | Last modified: | 2011-10-19 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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7S7A
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![BU of 7s7a by Molmil](/molmil-images/mine/7s7a) | Crystal structure of CDK2 liganded with compound EF3019 | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-15 | Release date: | 2022-09-28 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
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7S85
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![BU of 7s85 by Molmil](/molmil-images/mine/7s85) | Crystal structure of CDK2 liganded with compound WN316 | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
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1HFD
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![BU of 1hfd by Molmil](/molmil-images/mine/1hfd) | HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM | Descriptor: | COMPLEMENT FACTOR D | Authors: | Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L. | Deposit date: | 1998-06-18 | Release date: | 1999-06-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity. J.Mol.Biol., 282, 1998
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1HFN
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![BU of 1hfn by Molmil](/molmil-images/mine/1hfn) | NMR solution structures of vMIP-II 1-71 from Kaposi's sarcoma-associated herpesvirus. | Descriptor: | VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II | Authors: | Crump, M.P, Elisseeva, E, Gong, J.-H, Clark-Lewis, I, Sykes, B.D. | Deposit date: | 2000-12-07 | Release date: | 2001-01-07 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Structure/Function of Human Herpesvirus-8 Mip-II (1-71) and the Antagonist N-Terminal Segment (1-10) FEBS Lett., 489, 2001
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1H52
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![BU of 1h52 by Molmil](/molmil-images/mine/1h52) | Binding of Phosphate and Pyrophosphate ions at the active site of human Angiogenin as revealed by X-ray Crystallography | Descriptor: | ANGIOGENIN, PYROPHOSPHATE 2- | Authors: | Leonidas, D.D, Chavali, G.B, Jardine, A.M, Li, S, Shapiro, R, Acharya, K.R. | Deposit date: | 2001-05-18 | Release date: | 2001-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of Phosphate and Pyrophosphate Ions at the Active Site of Human Angiogenin as Revealed by X-Ray Crystallography Protein Sci., 10, 2001
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7S3T
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![BU of 7s3t by Molmil](/molmil-images/mine/7s3t) | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2021-09-08 | Release date: | 2022-10-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases. Angew.Chem.Int.Ed.Engl., 2023
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1GTL
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![BU of 1gtl by Molmil](/molmil-images/mine/1gtl) | The thermostable serine-carboxyl type proteinase, kumamolisin (KSCP) - complex with Ac-Ile-Pro-Phe-cho | Descriptor: | ALDEHYDE INHIBITOR, CALCIUM ION, KUMAMOLYSIN, ... | Authors: | Comellas-Bigler, M, Fuentes-Prior, P, Maskos, K, Huber, R, Oyama, H, Uchida, K, Dunn, B.M, Oda, K, Bode, W. | Deposit date: | 2002-01-16 | Release date: | 2002-06-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase Structure, 10, 2002
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1H9L
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![BU of 1h9l by Molmil](/molmil-images/mine/1h9l) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH ACETYL-VAL-GLU-PRO-ILE-COOH | Descriptor: | CALCIUM ION, ELASTASE, PEPTIDE INHIBITOR, ... | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | Deposit date: | 2001-03-13 | Release date: | 2001-11-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Kinetic and Crystallographic Analysis of Complexes Formed between Elastase and Peptides from Beta-Casein Eur.J.Biochem., 268, 2001
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1GUJ
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![BU of 1guj by Molmil](/molmil-images/mine/1guj) | Insulin at pH 2: structural analysis of the conditions promoting insulin fibre formation. | Descriptor: | INSULIN, SULFATE ION | Authors: | Whittingham, J.L, Scott, D.J, Chance, K, Wilson, A, Finch, J, Brange, J, Dodson, G.G. | Deposit date: | 2002-01-28 | Release date: | 2002-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Insulin at Ph2: Structural Analysis of the Conditions Promoting Insulin Fibre Formation J.Mol.Biol., 318, 2002
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1HD3
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![BU of 1hd3 by Molmil](/molmil-images/mine/1hd3) | A-SPECTRIN SH3 DOMAIN F52Y MUTANT | Descriptor: | GLYCEROL, SPECTRIN ALPHA CHAIN, SULFATE ION | Authors: | Vega, M.C, Viguera, A.R, Serrano, L. | Deposit date: | 2000-11-06 | Release date: | 2001-11-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Unspecific Hydrophobic Stabilization of Folding Transition States Proc.Natl.Acad.Sci.USA, 99, 2002
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1GVU
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![BU of 1gvu by Molmil](/molmil-images/mine/1gvu) | Endothiapepsin complex with H189 | Descriptor: | ENDOTHIAPEPSIN, INHIBITOR, H189, ... | Authors: | Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B. | Deposit date: | 2002-02-27 | Release date: | 2002-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism J.Mol.Biol., 318, 2002
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7SK9
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![BU of 7sk9 by Molmil](/molmil-images/mine/7sk9) | Cryo-EM structure of human ACKR3 in complex with a small molecule partial agonist CCX662, and an intracellular Fab | Descriptor: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Atypical chemokine receptor 3, CHOLESTEROL, ... | Authors: | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias. Sci Adv, 8, 2022
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