1TEC
 
 | | CRYSTALLOGRAPHIC REFINEMENT BY INCORPORATION OF MOLECULAR DYNAMICS. THE THERMOSTABLE SERINE PROTEASE THERMITASE COMPLEXED WITH EGLIN-C | | Descriptor: | CALCIUM ION, EGLIN C, SODIUM ION, ... | | Authors: | Gros, P, Dijkstra, B.W, Hol, W.G.J. | | Deposit date: | 1989-05-24 | | Release date: | 1989-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic refinement by incorporation of molecular dynamics: thermostable serine protease thermitase complexed with eglin c.
Acta Crystallogr.,Sect.B, 45, 1989
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2CG1
 | | AGAO in complex with wc11b (Ru-wire inhibitor, 11-carbon linker, data set b) | | Descriptor: | COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ... | | Authors: | Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B. | | Deposit date: | 2006-02-27 | | Release date: | 2007-05-01 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter Globiformis.
J.Am.Chem.Soc., 130, 2008
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2CLK
 | | Tryptophan Synthase in complex with D-glyceraldehyde 3-phosphate (G3P) | | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F. | | Deposit date: | 2006-04-27 | | Release date: | 2007-06-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex.
Biochemistry, 46, 2007
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1T2X
 | | Glactose oxidase C383S mutant identified by directed evolution | | Descriptor: | ACETATE ION, COPPER (II) ION, Galactose Oxidase, ... | | Authors: | Wilkinson, D, Akumanyi, N, Hurtado-Guerrero, R, Dawkes, H, Knowles, P.F, Phillips, S.E.V, McPherson, M.J. | | Deposit date: | 2004-04-23 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and kinetic studies of a series of mutants of galactose oxidase identified by directed evolution.
Protein Eng.Des.Sel., 17, 2004
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2C8X
 | | thrombin inhibitors | | Descriptor: | DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE, ... | | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | Deposit date: | 2005-12-08 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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4AX9
 | | Human thrombin complexed with Napsagatran, RO0466240 | | Descriptor: | 2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... | | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K, Spinelli, S, Cambillau, C. | | Deposit date: | 2012-06-11 | | Release date: | 2012-06-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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3MUA
 | | Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus. | | Descriptor: | ACETATE ION, GLYCEROL, SODIUM ION, ... | | Authors: | Solomon, V, Zolotnitsky, G, Alhadeff, R, Shoham, Y, Shoham, G. | | Deposit date: | 2010-05-02 | | Release date: | 2011-06-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enzyme-Substrate interactions of IXT6, the intracellular xylanase of G. stearothermophilus.
TO BE PUBLISHED
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4BAM
 | | Thrombin in complex with inhibitor | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... | | Authors: | Xue, Y, Musil, D. | | Deposit date: | 2012-09-14 | | Release date: | 2013-01-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
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4AYV
 | | Human thrombin - inhibitor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', SODIUM ION, ... | | Authors: | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | | Deposit date: | 2012-06-22 | | Release date: | 2012-08-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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4BAH
 | | Thrombin in complex with inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, SODIUM ION, ... | | Authors: | Xue, Y, Musil, D. | | Deposit date: | 2012-09-14 | | Release date: | 2013-01-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
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4B0O
 | | Crystal structure of soman-aged human butyrylcholinesterase in complex with benzyl pyridinium-4-methyltrichloroacetimidate | | Descriptor: | 1-BENZYL-4-({[(1E)-2,2,2-TRICHLOROETHANIMIDOYL]OXY}METHYL)PYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wandhammer, M, de Koning, M, van Grol, M, Noort, D, Goeldner, M, Nachon, F. | | Deposit date: | 2012-07-04 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
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4BAQ
 | | Thrombin in complex with inhibitor | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... | | Authors: | Xue, Y, Musil, D. | | Deposit date: | 2012-09-14 | | Release date: | 2013-01-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
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4B16
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1UHY
 | | Crystal structure of d(GCGATAGC): the base-intercalated duplex | | Descriptor: | 5'-D(*GP*(CBR)P*GP*AP*TP*AP*GP*C)-3', CHLORIDE ION, COBALT HEXAMMINE(III), ... | | Authors: | Kondo, J, Umeda, S.I, Fujita, K, Sunami, T, Takenaka, A. | | Deposit date: | 2003-07-13 | | Release date: | 2004-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray analyses of d(GCGAXAGC) containing G and T at X: the base-intercalated duplex is still stable even in point mutants at the fifth residue.
J.Synchrotron Radiat., 11, 2004
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1UHX
 | | Crystal structure of d(GCGAGAGC): the base-intercalated duplex | | Descriptor: | 5'-D(*GP*(CBR)P*GP*AP*GP*AP*GP*C)-3', CHLORIDE ION, COBALT HEXAMMINE(III), ... | | Authors: | Kondo, J, Umeda, S.I, Fujita, K, Sunami, T, Takenaka, A. | | Deposit date: | 2003-07-13 | | Release date: | 2004-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray analyses of d(GCGAXAGC) containing G and T at X: the base-intercalated duplex is still stable even in point mutants at the fifth residue.
J.Synchrotron Radiat., 11, 2004
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2E7Z
 | | Acetylene Hydratase from Pelobacter acetylenicus | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ... | | Authors: | Einsle, O, Kroneck, P.M.H, Seiffert, G.B, Messerschmidt, A. | | Deposit date: | 2007-01-15 | | Release date: | 2007-02-27 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure of the non-redox-active tungsten/[4Fe:4S] enzyme acetylene hydratase
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2EMR
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2EN5
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2EK7
 | | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L163M) | | Descriptor: | Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION | | Authors: | Asada, Y, Taketa, M, Morikawa, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-22 | | Release date: | 2007-09-25 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L163M)
To be Published
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3OKT
 | | Mouse Plexin A2, extracellular domains 1-4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Janssen, B.J.C, Robinson, R.A, Bell, C.H, Siebold, C, Jones, E.Y. | | Deposit date: | 2010-08-25 | | Release date: | 2010-10-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.296 Å) | | Cite: | Structural basis of semaphorin-plexin signalling.
Nature, 467, 2010
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2EH4
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3OI7
 | | Structure of the structure of the H13A mutant of Ykr043C in complex with sedoheptulose-1,7-bisphosphate | | Descriptor: | 1,2-ETHANEDIOL, 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose, GLYCEROL, ... | | Authors: | Singer, A.U, Xu, X, Dong, A, Cui, H, Clasquin, M.F, Caudy, A.A, Edwards, A.M, Savchenko, A, Joachimiak, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-08-18 | | Release date: | 2010-11-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Riboneogenesis in yeast.
Cell(Cambridge,Mass.), 145, 2011
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2AU8
 | | Catalytic intermediate structure of inorganic pyrophosphatase | | Descriptor: | CHLORIDE ION, Inorganic pyrophosphatase, MANGANESE (II) ION, ... | | Authors: | Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D. | | Deposit date: | 2005-08-27 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies
J.Mol.Biol., 366, 2007
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2AOF
 | | Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P1-P6 | | Descriptor: | ACETIC ACID, CHLORIDE ION, PEPTIDE INHIBITOR, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-12 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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1R8B
 | | Crystal Structures of an Archaeal Class I CCA-Adding Enzyme and Its Nucleotide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Xiong, Y, Li, F, Wang, J, Weiner, A.M, Steitz, T.A. | | Deposit date: | 2003-10-23 | | Release date: | 2003-12-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of an archaeal class I CCA-adding enzyme and its nucleotide complexes
Mol.Cell, 12, 2003
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