1JPZ
| Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A. | Deposit date: | 2001-08-03 | Release date: | 2001-11-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Pivotal role of water in the mechanism of P450BM-3. Biochemistry, 40, 2001
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3VQU
| CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | Descriptor: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | Deposit date: | 2012-03-30 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation. Acs Med.Chem.Lett., 3, 2012
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3VUH
| Crystal structure of a cysteine-deficient mutant M3 in MAP kinase JNK1 | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, ... | Authors: | Nakaniwa, T, Kinoshita, T, Inoue, T. | Deposit date: | 2012-06-28 | Release date: | 2013-02-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
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3VUT
| Crystal structures of non-phosphorylated MAP2K4 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 4 | Authors: | Matsumoto, T, Kinoshita, T, Kirii, Y, Tada, T, Yamano, A. | Deposit date: | 2012-07-05 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal and solution structures disclose a putative transient state of mitogen-activated protein kinase kinase 4 Biochem.Biophys.Res.Commun., 425, 2012
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2UZT
| PKA structures of AKT, indazole-pyridine inhibitors | Descriptor: | (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2007-05-01 | Release date: | 2007-06-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension. J.Med.Chem., 50, 2007
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3VUD
| Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1 | Descriptor: | Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION | Authors: | Nakaniwa, T, Kinoshita, T, Inoue, T. | Deposit date: | 2012-06-28 | Release date: | 2013-02-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
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3VUM
| Crystal structure of a cysteine-deficient mutant M7 in MAP kinase JNK1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, ... | Authors: | Nakaniwa, T, Kinoshita, T, Inoue, T. | Deposit date: | 2012-07-02 | Release date: | 2013-02-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1 Biochemistry, 51, 2012
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2UZU
| PKA structures of indazole-pyridine series of AKT inhibitors | Descriptor: | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2007-05-01 | Release date: | 2007-06-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension. J.Med.Chem., 50, 2007
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2UZV
| PKA structures of indazole-pyridine series of AKT inhibitors | Descriptor: | (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2007-05-01 | Release date: | 2007-06-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension. J.Med.Chem., 50, 2007
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2C6H
| Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-11-09 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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1HAZ
| Snapshots of serine protease catalysis: (C) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 9 for 1 minute | Descriptor: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ... | 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 (1.4 Å) | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Nat.Struct.Biol., 8, 2001
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2UZW
| PKA structures of indazole-pyridine series of AKT inhibitors | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2007-05-01 | Release date: | 2007-06-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension. J.Med.Chem., 50, 2007
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1HCK
| HUMAN CYCLIN-DEPENDENT KINASE 2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, HUMAN CYCLIN-DEPENDENT KINASE 2, MAGNESIUM ION | Authors: | Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H. | Deposit date: | 1996-06-03 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design. J.Med.Chem., 39, 1996
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1HBI
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2BZI
| CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU2 | Descriptor: | PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, RU-PYRIDOCARBAZOLE-2 | Authors: | Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A. | Deposit date: | 2005-08-18 | Release date: | 2005-12-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands To be Published
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1GNR
| X-RAY CRYSTAL STRUCTURE ANALYSIS OF THE CATALYTIC DOMAIN OF THE ONCOGENE PRODUCT P21H-RAS COMPLEXED WITH CAGED GTP AND MANT DGPPNHP | Descriptor: | C-H-RAS P21 PROTEIN, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION | Authors: | Scheidig, A, Franken, S.M, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Pai, E.F, Goody, R.S. | Deposit date: | 1995-05-11 | Release date: | 1995-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray crystal structure analysis of the catalytic domain of the oncogene product p21H-ras complexed with caged GTP and mant dGppNHp. J.Mol.Biol., 253, 1995
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1VDQ
| The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution | Descriptor: | Lysozyme C | Authors: | Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Yamane, T, DeLucas, L.J, Hirose, M. | Deposit date: | 2004-03-24 | Release date: | 2004-04-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution to be published
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1VDT
| The crystal structure of the tetragonal form of hen egg white lysozyme at 1.7 angstroms resolution under basic conditions in space | Descriptor: | Lysozyme C | Authors: | Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Yamane, T, DeLucas, L.J, Hirose, M. | Deposit date: | 2004-03-24 | Release date: | 2004-04-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of the tetragonal form of hen egg white lysozyme at 1.7 angstroms resolution under basic conditions in space to be published
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1VHB
| BACTERIAL DIMERIC HEMOGLOBIN FROM VITREOSCILLA STERCORARIA | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tarricone, C, Galizzi, A, Coda, A, Ascenzi, P, Bolognesi, M. | Deposit date: | 1997-02-19 | Release date: | 1998-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Unusual structure of the oxygen-binding site in the dimeric bacterial hemoglobin from Vitreoscilla sp. Structure, 5, 1997
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1HFX
| ALPHA-LACTALBUMIN | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION | Authors: | Pike, A.C.W, Brew, K, Acharya, K.R. | Deposit date: | 1996-06-13 | Release date: | 1997-07-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of guinea-pig, goat and bovine alpha-lactalbumin highlight the enhanced conformational flexibility of regions that are significant for its action in lactose synthase. Structure, 4, 1996
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1VIP
| ANTICOAGULANT CLASS II PHOSPHOLIPASE A2 FROM THE VENOM OF VIPERA RUSSELLI RUSSELLI | Descriptor: | PHOSPHOLIPASE A2, SULFATE ION | Authors: | Carredano, E, Westerlund, B, Persson, B, Saarinen, M, Ramaswamy, S, Eaker, D, Eklund, H. | Deposit date: | 1997-02-27 | Release date: | 1997-06-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The three-dimensional structures of two toxins from snake venom throw light on the anticoagulant and neurotoxic sites of phospholipase A2. Toxicon, 36, 1998
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2BWK
| Murine angiogenin, sulphate complex | Descriptor: | ANGIOGENIN, SULFATE ION | Authors: | Holloway, D.E, Chavali, G.B, Hares, M.C, Subramanian, V, Acharya, K.R. | Deposit date: | 2005-07-15 | Release date: | 2005-11-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of Murine Angiogenin: Features of the Substrate- and Cell-Binding Regions and Prospects for Inhibitor-Binding Studies. Acta Crystallogr.,Sect.D, 61, 2005
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2XZS
| Death associated protein kinase 1 residues 1-312 | Descriptor: | DEATH ASSOCIATED KINASE 1, MAGNESIUM ION | Authors: | Yumerefendi, H, Mas, P.J, Dordevic, N, McCarthy, A.A, Hart, D.J. | Deposit date: | 2010-11-29 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Death-Associated Protein Kinase Activity is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites. Structure, 24, 2016
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1VPI
| PHOSPHOLIPASE A2 INHIBITOR FROM VIPOXIN | Descriptor: | PHOSPHOLIPASE A2 INHIBITOR | Authors: | Devedjiev, Y.D, Popov, A.N. | Deposit date: | 1996-12-17 | Release date: | 1997-12-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | X-ray structure at 1.76 A resolution of a polypeptide phospholipase A2 inhibitor. J.Mol.Biol., 266, 1997
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3HVC
| Crystal structure of human p38alpha MAP kinase | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | Perry, J.J, Tainer, J.A. | Deposit date: | 2009-06-15 | Release date: | 2009-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses. J.Mol.Biol., 391, 2009
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