1Z3M
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![BU of 1z3m by Molmil](/molmil-images/mine/1z3m) | Crystal structure of mutant Ribonuclease S (F8Nva) | Descriptor: | Ribonuclease pancreatic, S-Peptide, S-protein, ... | Authors: | Das, M, Vasudeva Rao, B, Ghosh, S, Varadarajan, R. | Deposit date: | 2005-03-14 | Release date: | 2005-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Attempts to delineate the relative contributions of changes in hydrophobicity and packing to changes in stability of ribonuclease S mutants. Biochemistry, 44, 2005
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1L7G
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![BU of 1l7g by Molmil](/molmil-images/mine/1l7g) | Crystal structure of E119G mutant influenza virus neuraminidase in complex with BCX-1812 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | Deposit date: | 2002-03-15 | Release date: | 2002-05-29 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors. J.Med.Chem., 45, 2002
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2CI9
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![BU of 2ci9 by Molmil](/molmil-images/mine/2ci9) | Nck1 SH2-domain in complex with a dodecaphosphopeptide from EPEC protein Tir | Descriptor: | CYTOPLASMIC PROTEIN NCK1, TRANSLOCATED INTIMIN RECEPTOR | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | Deposit date: | 2006-03-17 | Release date: | 2006-04-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains. J.Biol.Chem., 281, 2006
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1LA6
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![BU of 1la6 by Molmil](/molmil-images/mine/1la6) | The crystal structure of Trematomus newnesi hemoglobin in a partial hemichrome state | Descriptor: | CARBON MONOXIDE, Hemoglobin alpha-1 chain, Hemoglobin beta-1/2 chain, ... | Authors: | Riccio, A, Vitagliano, L, di Prisco, G, Zagari, A, Mazzarella, L. | Deposit date: | 2002-03-28 | Release date: | 2002-07-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of a tetrameric hemoglobin in a partial hemichrome state Proc.Natl.Acad.Sci.USA, 99, 2002
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2WTW
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![BU of 2wtw by Molmil](/molmil-images/mine/2wtw) | Aurora-A Inhibitor Structure (2nd crystal form) | Descriptor: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 AURORA/IPL1-RELATED KINASE 1, BREAST TUMOR-AMPLIFIED KINASE, ... | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2009-09-24 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.302 Å) | Cite: | Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design. Biochem.J., 427, 2010
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2CG6
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![BU of 2cg6 by Molmil](/molmil-images/mine/2cg6) | Second and third fibronectin type I module pair (crystal form I). | Descriptor: | HUMAN FIBRONECTIN, SULFATE ION | Authors: | Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F. | Deposit date: | 2006-02-27 | Release date: | 2007-02-27 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist. J.Mol.Biol., 368, 2007
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1L2K
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![BU of 1l2k by Molmil](/molmil-images/mine/1l2k) | Neutron Structure Determination of Sperm Whale Met-Myoglobin at 1.5A Resolution. | Descriptor: | AMMONIUM CATION WITH D, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ostermann, A, Tanaka, I, Engler, N, Niimura, N, Parak, F.G. | Deposit date: | 2002-02-21 | Release date: | 2002-08-21 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.5 Å) | Cite: | Hydrogen and deuterium in myoglobin as seen by a neutron structure determination at 1.5 A resolution. Biophys.Chem., 95, 2002
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1L2T
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![BU of 1l2t by Molmil](/molmil-images/mine/1l2t) | Dimeric Structure of MJ0796, a Bacterial ABC Transporter Cassette | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Hypothetical ABC transporter ATP-binding protein MJ0796, ISOPROPYL ALCOHOL, ... | Authors: | Smith, P.C, Karpowich, N, Rosen, J, Hunt, J.F. | Deposit date: | 2002-02-24 | Release date: | 2002-07-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | ATP binding to the motor domain from an ABC transporter drives formation of a nucleotide sandwich dimer. Mol.Cell, 10, 2002
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1Z9N
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1Z8Q
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![BU of 1z8q by Molmil](/molmil-images/mine/1z8q) | Ferrous dioxygen complex of the A245T cytochrome P450eryF | Descriptor: | 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ... | Authors: | Nagano, S, Cupp-Vickery, J.R, Poulos, T.L. | Deposit date: | 2005-03-31 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF. J.Biol.Chem., 280, 2005
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2CWI
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![BU of 2cwi by Molmil](/molmil-images/mine/2cwi) | X-ray crystal structure analysis of recombinant wild-type canine milk lysozyme (apo-type) | Descriptor: | Lysozyme C, milk isozyme, SULFATE ION | Authors: | Akieda, D, Yasui, M, Aizawa, T, Yao, M, Watanabe, N, Tanaka, I, Demura, M, Kawano, K, Nitta, K. | Deposit date: | 2005-06-20 | Release date: | 2006-06-20 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Construction of an expression system of canine milk lysozyme in the methylotrophic yeast Pichia pastoris To be Published
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1LF2
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![BU of 1lf2 by Molmil](/molmil-images/mine/1lf2) | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR RS370 | Descriptor: | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2 | Authors: | Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M. | Deposit date: | 2002-04-10 | Release date: | 2002-10-10 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370. Acta Crystallogr.,Sect.D, 58, 2002
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1LFM
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![BU of 1lfm by Molmil](/molmil-images/mine/1lfm) | CRYSTAL STRUCTURE OF COBALT(III)-SUBSTITUTED CYTOCHROME C (TUNA) | Descriptor: | CYTOCHROME C, PROTOPORPHYRIN IX CONTAINING CO | Authors: | Tezcan, F.A, Findley, W.M, Crane, B.R, Ross, S.A, Lyubovitsky, J.G, Gray, H.B, Winkler, J.R. | Deposit date: | 2002-04-11 | Release date: | 2002-07-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Using deeply trapped intermediates to map the cytochrome c folding landscape. Proc.Natl.Acad.Sci.USA, 99, 2002
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1LJF
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1LKA
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![BU of 1lka by Molmil](/molmil-images/mine/1lka) | Porcine Pancreatic Elastase/Ca-Complex | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. | Deposit date: | 2002-04-24 | Release date: | 2002-08-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
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3TTI
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![BU of 3tti by Molmil](/molmil-images/mine/3tti) | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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1LKQ
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![BU of 1lkq by Molmil](/molmil-images/mine/1lkq) | NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-GLY, VAL-A3-GLY, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 20 STRUCTURES | Descriptor: | INSULIN | Authors: | Weiss, M.A, Hua, Q.X, Chu, Y.C, Jia, W, Philips, N.F, Wang, R.Y, Katsoyannis, P.G. | Deposit date: | 2002-04-25 | Release date: | 2002-05-22 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Mechanism of insulin chain combination. Asymmetric roles of A-chain alpha-helices in disulfide pairing J.Biol.Chem., 277, 2002
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3TV7
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![BU of 3tv7 by Molmil](/molmil-images/mine/3tv7) | Human Rho-associated protein kinase 1 (ROCK 1) in COMPLEX WITH RKI1342 | Descriptor: | 1,2-ETHANEDIOL, 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea, Rho-associated protein kinase 1 | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-09-19 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2). Medchemcomm, 3, 2012
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1ZD9
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![BU of 1zd9 by Molmil](/molmil-images/mine/1zd9) | Structure of human ADP-ribosylation factor-like 10B | Descriptor: | ADP-ribosylation factor-like 10B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Choe, J, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2005-04-14 | Release date: | 2005-05-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human ADP-ribosylation factor-like 10B to be published
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2DZN
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2E1O
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![BU of 2e1o by Molmil](/molmil-images/mine/2e1o) | Solution structure of RSGI RUH-028, a homeobox domain from human cDNA | Descriptor: | Homeobox protein PRH | Authors: | Nakamura, A, Ohnishi, S, Abe, T, Nameki, N, Tochio, N, Koshiba, S, Kigawa, T, Yokoyama, S, Kawaii, S, Hirota, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-10-27 | Release date: | 2006-11-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of RSGI RUH-028, a homeobox domain from human cDNA To be Published
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2E7H
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1ZNH
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![BU of 1znh by Molmil](/molmil-images/mine/1znh) | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex | Descriptor: | CADMIUM ION, Major Urinary Protein, OCTAN-1-OL | Authors: | Malham, R, Johnstone, S, Bingham, R.J, Barratt, E, Phillips, S.E, Laughton, C.A, Homans, S.W. | Deposit date: | 2005-05-11 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc., 127, 2005
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2E46
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2E5J
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![BU of 2e5j by Molmil](/molmil-images/mine/2e5j) | Solution structure of RNA binding domain in Methenyltetrahydrofolate synthetase domain containing | Descriptor: | Methenyltetrahydrofolate synthetase domain containing | Authors: | Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-12-21 | Release date: | 2007-06-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of RNA binding domain in Methenyltetrahydrofolate synthetase domain containing To be Published
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