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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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
 | | 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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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
 | | 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
 | | 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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