1L8S
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2DZO
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1LA3
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![BU of 1la3 by Molmil](/molmil-images/mine/1la3) | Solution structure of recoverin mutant, E85Q | Descriptor: | CALCIUM ION, MYRISTIC ACID, Recoverin | Authors: | Ames, J.B, Hamasaki, N, Molchanova, T. | Deposit date: | 2002-03-27 | Release date: | 2002-06-19 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Structure and calcium-binding studies of a recoverin mutant (E85Q) in an allosteric intermediate state. Biochemistry, 41, 2002
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3ION
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![BU of 3ion by Molmil](/molmil-images/mine/3ion) | PDK1 in complex with Compound 8h | Descriptor: | 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION | Authors: | Olland, A.M. | Deposit date: | 2009-08-14 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1). Eur.J.Med.Chem., 45, 2010
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2E0L
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![BU of 2e0l by Molmil](/molmil-images/mine/2e0l) | Mutant Human Ribonuclease 1 (Q28L, R31L, R32L) | Descriptor: | CADMIUM ION, CHLORIDE ION, Ribonuclease | Authors: | Yamada, H, Tamada, T, Kosaka, M, Kuroki, R. | Deposit date: | 2006-10-10 | Release date: | 2007-08-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines Protein Sci., 16, 2007
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3FI4
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![BU of 3fi4 by Molmil](/molmil-images/mine/3fi4) | P38 kinase crystal structure in complex with RO4499 | Descriptor: | (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Knapp, M, Dunten, P. | Deposit date: | 2008-12-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
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1IP2
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![BU of 1ip2 by Molmil](/molmil-images/mine/1ip2) | G48A HUMAN LYSOZYME | Descriptor: | LYSOZYME C, SODIUM ION | Authors: | Takano, K, Yamagata, Y, Yutani, K. | Deposit date: | 2001-04-20 | Release date: | 2001-11-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein. Proteins, 45, 2001
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1XXS
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![BU of 1xxs by Molmil](/molmil-images/mine/1xxs) | Structural insights for fatty acid binding in a Lys49 phospholipase A2: crystal structure of myotoxin II from Bothrops moojeni complexed with stearic acid | Descriptor: | Phospholipase A2 homolog 2, STEARIC ACID, SULFATE ION | Authors: | Watanabe, L, Soares, A.M, Ward, R.J, Fontes, M.R, Arni, R.K. | Deposit date: | 2004-11-08 | Release date: | 2005-03-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights for fatty acid binding in a Lys49-phospholipase A(2): crystal structure of myotoxin II from Bothrops moojeni complexed with stearic acid Biochimie, 87, 2005
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1IZH
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![BU of 1izh by Molmil](/molmil-images/mine/1izh) | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | Descriptor: | proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | Deposit date: | 2002-10-02 | Release date: | 2002-12-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains J.MOL.BIOL., 324, 2002
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1XUJ
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![BU of 1xuj by Molmil](/molmil-images/mine/1xuj) | TRYPSIN-KETO-BABIM-ZN+2, PH 8.2 | Descriptor: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC, CALCIUM ION, SULFATE ION, ... | Authors: | Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M. | Deposit date: | 1997-10-10 | Release date: | 1998-11-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Design of potent selective zinc-mediated serine protease inhibitors. Nature, 391, 1998
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2EB8
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![BU of 2eb8 by Molmil](/molmil-images/mine/2eb8) | Crystal Structure of Cu(II)(Sal-Phe)/apo-Myoglobin | Descriptor: | (N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II), Myoglobin, PHOSPHATE ION | Authors: | Abe, S, Okazaki, S, Ueno, T, Hikage, T, Suzuki, A, Yamane, T, Watanabe, Y. | Deposit date: | 2007-02-07 | Release date: | 2007-07-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design and Structure Analysis of Artificial Metalloproteins: Selective Coordination of His64 to Copper Complexes with Square-Planar Structure in the apo-Myoglobin Scaffold Inorg.Chem., 46, 2007
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2RG5
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![BU of 2rg5 by Molmil](/molmil-images/mine/2rg5) | Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B | Descriptor: | Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | Authors: | Sack, J.S. | Deposit date: | 2007-10-02 | Release date: | 2008-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors J.Med.Chem., 51, 2008
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2E9O
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![BU of 2e9o by Molmil](/molmil-images/mine/2e9o) | Structure of h-CHK1 complexed with AA582939 | Descriptor: | 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID, Serine/threonine-protein kinase Chk1 | Authors: | Park, C. | Deposit date: | 2007-01-26 | Release date: | 2008-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors. Bioorg.Med.Chem., 15, 2007
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1IX0
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![BU of 1ix0 by Molmil](/molmil-images/mine/1ix0) | I59A-3SS human lysozyme | Descriptor: | SODIUM ION, lysozyme | Authors: | Takano, K, Yamagata, Y, Yutani, K. | Deposit date: | 2002-06-06 | Release date: | 2003-07-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Buried water molecules contribute to the conformational stability of a protein PROTEIN ENG., 16, 2003
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1XWC
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![BU of 1xwc by Molmil](/molmil-images/mine/1xwc) | Drosophila thioredoxin, reduced, P6522 | Descriptor: | thioredoxin | Authors: | Wahl, M.C, Irmler, A, Hecker, B, Schirmer, R.H, Becker, K. | Deposit date: | 2004-10-29 | Release date: | 2004-11-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Comparative structural analysis of oxidized and reduced thioredoxin from Drosophila melanogaster J.Mol.Biol., 345, 2005
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3FMN
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![BU of 3fmn by Molmil](/molmil-images/mine/3fmn) | P38 kinase crystal structure in complex with RO2530 | Descriptor: | 6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Ghate, M. | Deposit date: | 2008-12-22 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | P38 kinase crystal structure in complex with RO2530 To be Published
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1TLD
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![BU of 1tld by Molmil](/molmil-images/mine/1tld) | CRYSTAL STRUCTURE OF BOVINE BETA-TRYPSIN AT 1.5 ANGSTROMS RESOLUTION IN A CRYSTAL FORM WITH LOW MOLECULAR PACKING DENSITY. ACTIVE SITE GEOMETRY, ION PAIRS AND SOLVENT STRUCTURE | Descriptor: | BETA-TRYPSIN, CALCIUM ION, SULFATE ION | Authors: | Bartunik, H.D, Summers, L.J, Bartsch, H.H. | Deposit date: | 1989-07-24 | Release date: | 1990-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of bovine beta-trypsin at 1.5 A resolution in a crystal form with low molecular packing density. Active site geometry, ion pairs and solvent structure. J.Mol.Biol., 210, 1989
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2EC3
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![BU of 2ec3 by Molmil](/molmil-images/mine/2ec3) | Solution structure of the 11th FN1 domain from human Fibronectin 1 | Descriptor: | Fibronectin | Authors: | Sano, R, Hayashi, F, Izumi, K, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-02-09 | Release date: | 2008-03-04 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Solution structure of the 11th FN1 domain from human Fibronectin 1 To be Published
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2ZAZ
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![BU of 2zaz by Molmil](/molmil-images/mine/2zaz) | Crystal structure of P38 in complex with 4-anilino quinoline inhibitor | Descriptor: | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde, ACETATE ION, GLYCEROL, ... | Authors: | Somers, D.O. | Deposit date: | 2007-10-12 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
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2EDB
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1J4W
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1IZR
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![BU of 1izr by Molmil](/molmil-images/mine/1izr) | F46A mutant of bovine pancreatic ribonuclease A | Descriptor: | RIBONUCLEASE A | Authors: | Kadonosono, T, Chatani, E, Hayashi, R, Moriyama, H, Ueki, T. | Deposit date: | 2002-10-11 | Release date: | 2003-11-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Minimization of cavity size ensures protein stability and folding: structures of Phe46-replaced bovine pancreatic RNase A Biochemistry, 42, 2003
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1V2V
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![BU of 1v2v by Molmil](/molmil-images/mine/1v2v) | Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1 | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1J52
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2EF2
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![BU of 2ef2 by Molmil](/molmil-images/mine/2ef2) | Crystal Structure of an Artificial Metalloprotein:Rh(Phebox-Ph)/apo-A71G Myoglobin | Descriptor: | Myoglobin, PHOSPHATE ION, [2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III) | Authors: | Abe, S, Satake, Y, Okazaki, S, Ueno, T, Hikage, T, Suzuki, A, Yamane, T, Nakajima, H, Watanabe, Y. | Deposit date: | 2007-02-20 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Incorporation of a Phebox Rhodium Complex into apo-Myoglobin Affords a Stable Organometallic Protein Showing Unprecedented Arrangement of the Complex in the Cavity ORGANOMETALLICS, 26, 2007
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