4A8Y
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![BU of 4a8y by Molmil](/molmil-images/mine/4a8y) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | Descriptor: | 5'-D(*TP*TP*TP*TP*CP*GP*CP*GP*TP*AP*AP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | Deposit date: | 2011-11-21 | Release date: | 2012-07-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4AN3
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![BU of 4an3 by Molmil](/molmil-images/mine/4an3) | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, ... | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | Deposit date: | 2012-03-15 | Release date: | 2012-12-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
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4APC
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![BU of 4apc by Molmil](/molmil-images/mine/4apc) | Crystal Structure of Human NIMA-related Kinase 1 (NEK1) | Descriptor: | CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1 | Authors: | Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2012-04-02 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin. Sci Rep, 7, 2017
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1L7Q
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![BU of 1l7q by Molmil](/molmil-images/mine/1l7q) | Ser117Ala Mutant of Bacterial Cocaine Esterase cocE | Descriptor: | BENZOIC ACID, cocaine esterase | Authors: | Turner, J.M, Larsen, N.A, Basran, A, Barbas III, C.F, Bruce, N.C, Wilson, I.A, Lerner, R.A. | Deposit date: | 2002-03-16 | Release date: | 2003-02-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Biochemical characterization and structural analysis of a highly proficient cocaine
esterase Biochemistry, 41, 2002
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2HJJ
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![BU of 2hjj by Molmil](/molmil-images/mine/2hjj) | Solution NMR structure of protein ykfF from Escherichia coli. Northeast Structural Genomics target ER397. | Descriptor: | Hypothetical protein ykfF | Authors: | Swapna, G.V.T, Aramini, J.M, Zhao, L, Cunningham, K, Janjua, H, Ma, L.-C, Xiao, R, Baran, M.C, Acton, T.B, Liu, J, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-30 | Release date: | 2006-08-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of protein ykfF from Escherichia coli. Northeast Structural Genomics target ER397. To be Published
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3MV8
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![BU of 3mv8 by Molmil](/molmil-images/mine/3mv8) | Crystal Structure of the TK3-Gln55His TCR in complex with HLA-B*3501/HPVG | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Gras, S, Chen, Z, Miles, J.J, Liu, Y.C, Bell, M.J, Sullivan, L.C, Kjer-Nielsen, L, Brennan, R.M, Burrows, J.M, Neller, M.A, Khanna, R, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J, Burrows, S.R. | Deposit date: | 2010-05-03 | Release date: | 2010-06-09 | Last modified: | 2011-07-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Allelic polymorphism in the T cell receptor and its impact on immune responses J.Exp.Med., 207, 2010
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1S82
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![BU of 1s82 by Molmil](/molmil-images/mine/1s82) | PORCINE TRYPSIN COMPLEXED WITH BORATE AND ETHYLENE GLYCOL | Descriptor: | 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, CALCIUM ION, ... | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E. | Deposit date: | 2004-01-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Biochemistry, 43, 2004
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3HG9
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![BU of 3hg9 by Molmil](/molmil-images/mine/3hg9) | CRYSTAL STRUCTURE OF putative pilM protein from Pseudomonas aeruginosa 2192 | Descriptor: | NICKEL (II) ION, PilM | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-05-13 | Release date: | 2009-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CRYSTAL STRUCTURE OF putative pilM protein from Pseudomonas aeruginosa 2192 To be Published
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3BIA
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![BU of 3bia by Molmil](/molmil-images/mine/3bia) | Tim-4 in complex with sodium potassium tartrate | Descriptor: | L(+)-TARTARIC ACID, SODIUM ION, T-cell immunoglobulin and mucin domain-containing protein 4 | Authors: | Santiago, C, Ballesteros, A, Kaplan, G.G, Freeman, G.J, Casasnovas, J.M. | Deposit date: | 2007-11-30 | Release date: | 2008-01-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of T Cell Immunoglobulin Mucin Protein 4 Show a Metal-Ion-Dependent Ligand Binding Site where Phosphatidylserine Binds. Immunity, 27, 2007
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2HIV
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![BU of 2hiv by Molmil](/molmil-images/mine/2hiv) | ATP-dependent DNA ligase from S. solfataricus | Descriptor: | Thermostable DNA ligase | Authors: | Pascal, J.M, Ellenberger, T. | Deposit date: | 2006-06-29 | Release date: | 2006-11-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A Flexible Interface between DNA Ligase and PCNA Supports Conformational Switching and Efficient Ligation of DNA. Mol.Cell, 24, 2006
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1SDV
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![BU of 1sdv by Molmil](/molmil-images/mine/1sdv) | Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. | Descriptor: | CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, protease RETROPEPSIN | Authors: | Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2004-02-14 | Release date: | 2004-05-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of HIV protease V82A and L90M
mutants reveal changes in the indinavir-binding site Eur.J.Biochem., 271, 2004
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1LIE
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![BU of 1lie by Molmil](/molmil-images/mine/1lie) | |
3MWC
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![BU of 3mwc by Molmil](/molmil-images/mine/3mwc) | Crystal structure of probable o-succinylbenzoic acid synthetase from kosmotoga olearia | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein, PHOSPHATE ION | Authors: | Patskovsky, Y, Toro, R, Dickey, M, Sauder, J.M, Gerlt, J, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-05-05 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of O-Succinylbenzoic Acid Synthetase from Kosmotoga Olearia To be Published
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3HK1
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![BU of 3hk1 by Molmil](/molmil-images/mine/3hk1) | Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding Proteins | Descriptor: | 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid, Fatty acid-binding protein, adipocyte | Authors: | Hertzel, A.V, Hellberg, K, Reynolds, J.M, Kruse, A.C, Juhlmann, B.E, Smith, A.J, Sanders, M.A, Ohlendorf, D.H, Suttles, J, Bernlohr, D.A. | Deposit date: | 2009-05-22 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins. J.Med.Chem., 52, 2009
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4A2C
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![BU of 4a2c by Molmil](/molmil-images/mine/4a2c) | Crystal structure of galactitol-1-phosphate dehydrogenase from Escherichia coli | Descriptor: | GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, NICKEL (II) ION, ZINC ION | Authors: | Alvarez, Y, Esteban-Torres, M, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. | Deposit date: | 2011-09-26 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The Crystal Structure of Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli K12 Provides Insights Into its Anomalous Behavior on Imac Processes FEBS Lett., 586, 2012
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1S85
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![BU of 1s85 by Molmil](/molmil-images/mine/1s85) | PORCINE TRYPSIN COMPLEXED WITH P-HYDROXYMETHYL BENZAMIDINE AND BORATE | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, Derose, E.F, London, R.E. | Deposit date: | 2004-01-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Biochemistry, 43, 2004
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3RHN
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![BU of 3rhn by Molmil](/molmil-images/mine/3rhn) | HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN (HINT) FROM RABBIT COMPLEXED WITH GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN | Authors: | Brenner, C, Garrison, P, Gilmour, J, Peisach, D, Ringe, D, Petsko, G.A, Lowenstein, J.M. | Deposit date: | 1997-02-11 | Release date: | 1997-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of HINT demonstrate that histidine triad proteins are GalT-related nucleotide-binding proteins. Nat.Struct.Biol., 4, 1997
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3HI2
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![BU of 3hi2 by Molmil](/molmil-images/mine/3hi2) | Structure of the N-terminal domain of the E. coli antitoxin MqsA (YgiT/b3021) in complex with the E. coli toxin MqsR (YgiU/b3022) | Descriptor: | GLYCEROL, HTH-type transcriptional regulator mqsA(ygiT), Motility quorum-sensing regulator mqsR, ... | Authors: | Grigoriu, S, Brown, B.L, Arruda, J.M, Peti, W, Page, R. | Deposit date: | 2009-05-18 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three dimensional structure of the MqsR:MqsA complex: a novel TA pair comprised of a toxin homologous to RelE and an antitoxin with unique properties. Plos Pathog., 5, 2009
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3HIG
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![BU of 3hig by Molmil](/molmil-images/mine/3hig) | |
1MT6
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![BU of 1mt6 by Molmil](/molmil-images/mine/1mt6) | Structure of histone H3 K4-specific methyltransferase SET7/9 with AdoHcy | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SET9 | Authors: | Jacobs, S.A, Harp, J.M, Devarakonda, S, Kim, Y, Rastinejad, F, Khorasanizadeh, S. | Deposit date: | 2002-09-20 | Release date: | 2002-11-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The active site of the SET domain is constructed on a knot Nat.Struct.Biol., 9, 2002
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3BDA
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![BU of 3bda by Molmil](/molmil-images/mine/3bda) | Glycogen Phosphorylase complex with 1(-D-glucopyranosyl) cyanuric acid | Descriptor: | 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione, Glycogen phosphorylase, muscle form, ... | Authors: | Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G. | Deposit date: | 2007-11-14 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b To be Published
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2HIX
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![BU of 2hix by Molmil](/molmil-images/mine/2hix) | |
3N1Q
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![BU of 3n1q by Molmil](/molmil-images/mine/3n1q) | Crystal Structure of DhhN bound to CDOFn3 | Descriptor: | CALCIUM ION, Cell adhesion molecule-related/down-regulated by oncogenes, Desert hedgehog protein, ... | Authors: | Kavran, J.M, Leahy, D.J. | Deposit date: | 2010-05-16 | Release date: | 2010-06-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner. J.Biol.Chem., 285, 2010
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3R09
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![BU of 3r09 by Molmil](/molmil-images/mine/3r09) | Crystal structure of probable HAD family hydrolase from Pseudomonas fluorescens Pf-5 with bound Mg | Descriptor: | Hydrolase, haloacid dehalogenase-like family, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Patskovsky, Y, Toro, R, Freeman, J, Miller, S, Sauder, J.M, Burley, S.K, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2011-03-07 | Release date: | 2011-04-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of probable HAD family hydrolase from Pseudomonas fluorescens Pf-5 with bound Mg To be Published
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1S6H
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![BU of 1s6h by Molmil](/molmil-images/mine/1s6h) | PORCINE TRYPSIN COMPLEXED WITH GUANIDINE-3-PROPANOL INHIBITOR | Descriptor: | 4-(HYDROXYMETHYL)BENZAMIDINE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, Derose, E.F, London, R.E. | Deposit date: | 2004-01-23 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Biochemistry, 43, 2004
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