3FI2
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![BU of 3fi2 by Molmil](/molmil-images/mine/3fi2) | Crystal structure of JNK3 with amino-pyrazole inhibitor, SR-3451 | Descriptor: | 1,2-ETHANEDIOL, 3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10 | Authors: | Habel, J.E. | Deposit date: | 2008-12-10 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38. J.Biol.Chem., 284, 2009
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2A5X
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![BU of 2a5x by Molmil](/molmil-images/mine/2a5x) | Crystal Structure of a Cross-linked Actin Dimer | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Actin, alpha skeletal muscle, ... | Authors: | Kudryashov, D.S, Sawaya, M.R, Adisetiyo, H, Norcross, T, Hegyi, G, Reisler, E, Yeates, T.O. | Deposit date: | 2005-07-01 | Release date: | 2005-08-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The crystal structure of a cross-linked actin dimer suggests a detailed molecular interface in F-actin Proc.Natl.Acad.Sci.Usa, 102, 2005
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2A9O
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![BU of 2a9o by Molmil](/molmil-images/mine/2a9o) | Crystal structures of an activated YycF homologue, the essential response regulator from S.pneumoniae in complex with BeF3 and the effect of pH on BeF3 binding, possible phosphate in the active site | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MANGANESE (II) ION, Response regulator | Authors: | Riboldi-Tunnicliffe, A, Isaacs, N.W, Mitchell, T.J. | Deposit date: | 2005-07-12 | Release date: | 2006-09-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of an activated YycF homologue, the essential response regulator from S.pneumoniae in complex with BeF3 and the effect of pH on BeF3 binding, possible phosphate in the active site. TO BE PUBLISHED
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1TIO
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![BU of 1tio by Molmil](/molmil-images/mine/1tio) | HIGH PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE | Descriptor: | BENZAMIDINE, CALCIUM ION, CYCLOHEXANE, ... | Authors: | Huang, Q, Zhu, G, Wang, Z, Tang, Q. | Deposit date: | 1998-09-17 | Release date: | 1998-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane. Biochim.Biophys.Acta, 1429, 1998
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2AAS
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![BU of 2aas by Molmil](/molmil-images/mine/2aas) | HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF RIBONUCLEASE A IN SOLUTION BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | Descriptor: | RIBONUCLEASE A | Authors: | Santoro, J, Gonzalez, C, Bruix, M, Neira, J.L, Nieto, J.L, Herranz, J, Rico, M. | Deposit date: | 1992-11-20 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | High-resolution three-dimensional structure of ribonuclease A in solution by nuclear magnetic resonance spectroscopy. J.Mol.Biol., 229, 1993
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1HVJ
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![BU of 1hvj by Molmil](/molmil-images/mine/1hvj) | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | Deposit date: | 1994-01-26 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
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3EZV
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![BU of 3ezv by Molmil](/molmil-images/mine/3ezv) | CDK-2 with indazole inhibitor 9 bound at its active site | Descriptor: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | Deposit date: | 2008-10-23 | Release date: | 2009-02-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor Bioorg.Med.Chem.Lett., 19, 2009
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1HVI
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![BU of 1hvi by Molmil](/molmil-images/mine/1hvi) | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | Deposit date: | 1994-01-26 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
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2AC5
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![BU of 2ac5 by Molmil](/molmil-images/mine/2ac5) | Structure of human Mnk2 Kinase Domain mutant D228G | Descriptor: | MAP kinase-interacting serine/threonine kinase 2, ZINC ION | Authors: | Jauch, R, Wahl, M.C, Jakel, S, Schreiter, K, Aicher, B, Jackle, H. | Deposit date: | 2005-07-18 | Release date: | 2005-10-04 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of the Mnk2 kinase domain reveal an inhibitory conformation and a zinc binding site. Structure, 13, 2005
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1HSH
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1HUR
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![BU of 1hur by Molmil](/molmil-images/mine/1hur) | HUMAN ADP-RIBOSYLATION FACTOR 1 COMPLEXED WITH GDP, FULL LENGTH NON-MYRISTOYLATED | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, HUMAN ADP-RIBOSYLATION FACTOR 1, MAGNESIUM ION | Authors: | Amor, J.C, Harrison, D.H, Kahn, R.A, Ringe, D. | Deposit date: | 1995-04-19 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the human ADP-ribosylation factor 1 complexed with GDP. Nature, 372, 1994
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1HVK
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![BU of 1hvk by Molmil](/molmil-images/mine/1hvk) | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | Deposit date: | 1994-01-26 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
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1HPX
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![BU of 1hpx by Molmil](/molmil-images/mine/1hpx) | HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE | Authors: | Bhat, T.N, Erickson, J.W. | Deposit date: | 1995-05-18 | Release date: | 1996-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine. Structure, 3, 1995
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1HSY
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![BU of 1hsy by Molmil](/molmil-images/mine/1hsy) | |
1HVS
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![BU of 1hvs by Molmil](/molmil-images/mine/1hvs) | STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Baldwin, E.T, Bhat, T.N, Liu, B, Pattabiraman, N, Erickson, J.W. | Deposit date: | 1994-11-17 | Release date: | 1995-02-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase. Nat.Struct.Biol., 2, 1995
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1HVL
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![BU of 1hvl by Molmil](/molmil-images/mine/1hvl) | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | Deposit date: | 1994-01-26 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease J.Am.Chem.Soc., 116, 1994
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1XCH
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![BU of 1xch by Molmil](/molmil-images/mine/1xch) | |
2AC3
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![BU of 2ac3 by Molmil](/molmil-images/mine/2ac3) | Structure of human Mnk2 Kinase Domain | Descriptor: | MAP kinase-interacting serine/threonine kinase 2, ZINC ION | Authors: | Jauch, R, Wahl, M.C, Netter, C, Jakel, S, Schreiter, K, Aicher, B, Jackle, H. | Deposit date: | 2005-07-18 | Release date: | 2005-10-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the Mnk2 kinase domain reveal an inhibitory conformation and a zinc binding site. Structure, 13, 2005
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1XGL
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![BU of 1xgl by Molmil](/molmil-images/mine/1xgl) | HUMAN INSULIN DISULFIDE ISOMER, NMR, 10 STRUCTURES | Descriptor: | INSULIN | Authors: | Hua, Q.X, Gozani, S.N, Chance, R.E, Hoffmann, J.A, Frank, B.H, Weiss, M.A. | Deposit date: | 1996-10-10 | Release date: | 1997-04-01 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structure of a protein in a kinetic trap. Nat.Struct.Biol., 2, 1995
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1HYL
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![BU of 1hyl by Molmil](/molmil-images/mine/1hyl) | THE 1.8 A STRUCTURE OF COLLAGENASE FROM HYPODERMA LINEATUM | Descriptor: | HYPODERMA LINEATUM COLLAGENASE | Authors: | Broutin, I, Arnoux, B, Riche, C, Lecroisey, A, Keil, B, Pascard, C, Ducruix, A. | Deposit date: | 1995-05-02 | Release date: | 1995-07-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 A structure of Hypoderma lineatum collagenase: a member of the serine proteinase family. Acta Crystallogr.,Sect.D, 52, 1996
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1HUP
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![BU of 1hup by Molmil](/molmil-images/mine/1hup) | |
1XEK
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1HNE
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![BU of 1hne by Molmil](/molmil-images/mine/1hne) | Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-angstroms resolution | Descriptor: | HUMAN LEUCOCYTE ELASTASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALA CHLOROMETHYL KETONE INHIBITOR | Authors: | Navia, M.A, Mckeever, B.M, Springer, J.P, Lin, T.-Y, Williams, H.R, Fluder, E.M, Dorn, C.P, Hoogsteen, K. | Deposit date: | 1989-04-10 | Release date: | 1989-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure of human neutrophil elastase in complex with a peptide chloromethyl ketone inhibitor at 1.84-A resolution. Proc.Natl.Acad.Sci.USA, 86, 1989
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1HNL
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1XEI
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![BU of 1xei by Molmil](/molmil-images/mine/1xei) | |