6F5M
 
 | | Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor | | Descriptor: | 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate, ACETATE ION, Neutrophil elastase, ... | | Authors: | Hochscherf, J, Pietsch, M, Tieu, W, Kuan, K, Hautmann, S, Abell, A, Guetschow, M, Niefind, K. | | Deposit date: | 2017-12-01 | | Release date: | 2018-08-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of highly glycosylated human leukocyte elastase in complex with an S2' site binding inhibitor.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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4JX8
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5FUJ
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5X1B
 | | CO bound cytochrome c oxidase at 20 nsec after pump laser irradiation to release CO from O2 reduction center | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | | Deposit date: | 2017-01-25 | | Release date: | 2017-08-09 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase.
Sci Adv, 3, 2017
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3PGJ
 | | 2.49 Angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroE) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with shikimate | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase | | Authors: | Halavaty, A.S, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-11-02 | | Release date: | 2010-11-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | 2.49 Angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroE) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with shikimate
To be Published
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2DYN
 | | DYNAMIN (PLECKSTRIN HOMOLOGY DOMAIN) (DYNPH) | | Descriptor: | DYNAMIN | | Authors: | Timm, D.E. | | Deposit date: | 1997-07-21 | | Release date: | 1997-11-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the pleckstrin homology domain from dynamin.
Nat.Struct.Biol., 1, 1994
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2EUD
 | | Structures of Yeast Ribonucleotide Reductase I complexed with Ligands and Subunit Peptides | | Descriptor: | GEMCITABINE DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Dealwis, C, Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J. | | Deposit date: | 2005-10-28 | | Release date: | 2006-03-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of eukaryotic ribonucleotide reductase I define gemcitabine diphosphate binding and subunit assembly.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2BS3
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5FC1
 | | Murine SMPDL3A in complex with sulfate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B. | | Deposit date: | 2015-12-14 | | Release date: | 2016-01-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.389 Å) | | Cite: | Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
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2Z8Y
 | | Xenon-bound structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase(CODH/ACS) from Moorella thermoacetica | | Descriptor: | COPPER (I) ION, Carbon monoxide dehydrogenase/acetyl CoA synthase subunit alpha, Carbon monoxide dehydrogenase/acetyl CoA synthase subunit beta, ... | | Authors: | Doukov, T.I, Blasiak, L.C, Drennan, C.L. | | Deposit date: | 2007-09-12 | | Release date: | 2008-03-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Xenon in and at the End of the Tunnel of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
Biochemistry, 47, 2008
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3NGQ
 | | Crystal structure of the human CNOT6L nuclease domain | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, CCR4-NOT transcription complex subunit 6-like, MAGNESIUM ION | | Authors: | Wang, H, Morita, M, Yang, W, Bartlam, M, Yamamoto, T, Rao, Z. | | Deposit date: | 2010-06-13 | | Release date: | 2010-07-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the human CNOT6L nuclease domain reveals strict poly(A) substrate specificity.
Embo J., 2010
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2BVJ
 | | Ligand-free structure of cytochrome P450 PikC (CYP107L1) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ... | | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
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1ZOY
 | | Crystal Structure of Mitochondrial Respiratory Complex II from porcine heart at 2.4 Angstroms | | Descriptor: | FAD-binding protein, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Sun, F, Huo, X, Zhai, Y, Wang, A, Xu, J, Su, D, Bartlam, M, Rao, Z. | | Deposit date: | 2005-05-15 | | Release date: | 2005-07-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Mitochondrial Respiratory Membrane Protein Complex II
Cell(Cambridge,Mass.), 121, 2005
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3DUF
 | | Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex | | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, MAGNESIUM ION, ... | | Authors: | Pei, X.Y, Titman, C.M, Frank, R.A.W, Leeper, F.J, Luisi, B.F. | | Deposit date: | 2008-07-17 | | Release date: | 2009-01-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex
Structure, 16, 2008
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2CN6
 | | Recombinant human H ferritin, K86Q and E107D mutant, soaked with Zn ions | | Descriptor: | CALCIUM ION, FERRITIN HEAVY CHAIN, GLYCEROL, ... | | Authors: | Toussaint, L, Crichton, R.R, Declercq, J.P. | | Deposit date: | 2006-05-18 | | Release date: | 2006-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | High-Resolution X-Ray Structures of Human Apoferritin H-Chain Mutants Correlated with Their Activity and Metal-Binding Sites.
J.Mol.Biol., 365, 2007
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2O1Q
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2WDQ
 | | E. coli succinate:quinone oxidoreductase (SQR) with carboxin bound | | Descriptor: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | | Deposit date: | 2009-03-25 | | Release date: | 2009-08-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Escherichia coli succinate:quinone oxidoreductase with an occupied and empty quinone-binding site.
J. Biol. Chem., 284, 2009
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2A9A
 | | Crystal structure of recombinant chicken sulfite oxidase with the bound product, sulfate, at the active site | | Descriptor: | MOLYBDENUM ATOM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, SULFATE ION, ... | | Authors: | Karakas, E, Wilson, H.L, Graf, T.N, Xiang, S, Jaramillo-Busquets, S, Rajagopalan, K.V, Kisker, C. | | Deposit date: | 2005-07-11 | | Release date: | 2005-08-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Structural insights into sulfite oxidase deficiency
J.Biol.Chem., 280, 2005
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1YWP
 | | Phospholipase Cgamma1 SH3 | | Descriptor: | 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma 1 | | Authors: | Deng, L, Velikovsky, C.A, Swaminathan, C.P, Cho, S, Mariuzza, R.A. | | Deposit date: | 2005-02-18 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis for Recognition of the T Cell Adaptor Protein SLP-76 by the SH3 Domain of Phospholipase Cgamma1
J.Mol.Biol., 352, 2005
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4F6S
 | | Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea) | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Cyclin-C, ... | | Authors: | Schneider, E.V, Boettcher, J, Huber, R, Maskos, K. | | Deposit date: | 2012-05-15 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3AHE
 | | Phosphoketolase from Bifidobacterium Breve complexed with dihydroxyethyl thiamine diphosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Suzuki, R, Katayama, T, Kim, B.-J, Wakagi, T, Shoun, H, Ashida, H, Yamamoto, K, Fushinobu, S. | | Deposit date: | 2010-04-22 | | Release date: | 2010-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of phosphoketolase: thiamine diphosphate-dependent dehydration mechanism
J.Biol.Chem., 285, 2010
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2PAN
 | | Crystal structure of E. coli glyoxylate carboligase | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ... | | Authors: | Kaplun, A, Chipman, D.M, Barak, Z, Vyazmensky, M, Shaanan, B. | | Deposit date: | 2007-03-27 | | Release date: | 2008-01-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Glyoxylate carboligase lacks the canonical active site glutamate of thiamine-dependent enzymes.
Nat.Chem.Biol., 4, 2008
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2PDQ
 | | Human aldose reductase mutant C303D complexed with uracil-type inhibitor. | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2007-04-01 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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1EYE
 | | 1.7 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTEROATE SYNTHASE (DHPS) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 6-HYDROXYMETHYLPTERIN MONOPHOSPHATE | | Descriptor: | DIHYDROPTEROATE SYNTHASE I, MAGNESIUM ION, PTERIN-6-YL-METHYL-MONOPHOSPHATE | | Authors: | Baca, A.M, Sirawaraporn, R, Turley, S, Sirawaraporn, W, Hol, W.G.J. | | Deposit date: | 2000-05-05 | | Release date: | 2000-10-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis 7,8-dihydropteroate synthase in complex with pterin monophosphate: new insight into the enzymatic mechanism and sulfa-drug action.
J.Mol.Biol., 302, 2000
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5HRT
 | | Crystal structure of mouse autotaxin in complex with a DNA aptamer | | Descriptor: | CALCIUM ION, CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Kato, K, Nishimasu, H, Morita, J, Ishitani, R, Nureki, O. | | Deposit date: | 2016-01-24 | | Release date: | 2016-04-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structural basis for specific inhibition of Autotaxin by a DNA aptamer
Nat.Struct.Mol.Biol., 23, 2016
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