1AXE
| CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | Authors: | Colby, T.D, Chin, J.K, Goldstein, B.M. | Deposit date: | 1997-10-15 | Release date: | 1998-04-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A link between protein structure and enzyme catalyzed hydrogen tunneling. Proc.Natl.Acad.Sci.USA, 94, 1997
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1AUX
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1E2N
| HPT + HMTT | Descriptor: | 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2001-03-31 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase Protein Sci., 10, 2001
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3MMF
| Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-19 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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3MNA
| The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-21 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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1BM3
| IMMUNOGLOBULIN OPG2 FAB-PEPTIDE COMPLEX | Descriptor: | IMMUNOGLOBULIN OPG2 FAB, CONSTANT DOMAIN, VARIABLE DOMAIN | Authors: | Kodandapani, R, Veerapandian, L, Ni, C.Z, Chiou, C.-K, Whital, R, Kunicki, T.J, Ely, K.R. | Deposit date: | 1999-04-15 | Release date: | 1999-04-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational change in an anti-integrin antibody: structure of OPG2 Fab bound to a beta 3 peptide. Biochem.Biophys.Res.Commun., 251, 1998
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4AML
| CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 1 IN COMPLEX WITH GLYCOSYLURETHAN | Descriptor: | 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, GLYCEROL | Authors: | Schwefel, D, Maierhofer, C, Beck, J.G, Seeberger, S, Diederichs, K, Moeller, H.M, Welte, W, Wittmann, V. | Deposit date: | 2012-03-12 | Release date: | 2012-04-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin. J.Am.Chem.Soc., 132, 2010
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4YX4
| Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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1KMB
| SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A | Authors: | Ng, K.K.-S, Weis, W.I. | Deposit date: | 1996-11-07 | Release date: | 1997-02-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides. Biochemistry, 36, 1997
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2IUF
| The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Murshudov, G, Borovik, A, Grebenko, A, Barynin, V, Vagin, A, Melik-Adamyan, W. | Deposit date: | 2006-06-02 | Release date: | 2006-07-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined by X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations. J.Am.Chem.Soc., 129, 2007
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7E2O
| X-ray Crystal structure of PPARgamma R288H mutant. | Descriptor: | Peroxisome proliferator-activated receptor gamma | Authors: | Egawa, D, Itoh, T. | Deposit date: | 2021-02-06 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Insights into the Loss-of-Function R288H Mutant of Human PPAR gamma. Biol.Pharm.Bull., 44, 2021
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1VKL
| RABBIT MUSCLE PHOSPHOGLUCOMUTASE | Descriptor: | NICKEL (II) ION, PHOSPHOGLUCOMUTASE | Authors: | Ray Junior, W.J, Baranidharan, S, Liu, Y. | Deposit date: | 1996-07-03 | Release date: | 1997-01-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural changes at the metal ion binding site during the phosphoglucomutase reaction. Biochemistry, 32, 1993
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1AU1
| HUMAN INTERFERON-BETA CRYSTAL STRUCTURE | Descriptor: | INTERFERON-BETA, ZINC ION, alpha-D-quinovopyranose-(1-6)-beta-D-glucopyranose, ... | Authors: | Karpusas, M, Nolte, M, Lipscomb, W. | Deposit date: | 1997-09-09 | Release date: | 1998-06-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of human interferon beta at 2.2-A resolution. Proc.Natl.Acad.Sci.USA, 94, 1997
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4ARC
| Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and leucine in the editing conformation | Descriptor: | LEUCINE, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ... | Authors: | Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S. | Deposit date: | 2012-04-23 | Release date: | 2012-06-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase Nat.Struct.Mol.Biol., 19, 2012
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1I4Z
| THE CRYSTAL STRUCTURE OF PHASCOLOPSIS GOULDII L98Y METHEMERYTHRIN | Descriptor: | METHEMERYTHRIN, MU-OXO-DIIRON | Authors: | Farmer, C.S, Kurtz Jr, D.M, Liu, Z.-J, Wang, B.C, Rose, J. | Deposit date: | 2001-02-23 | Release date: | 2001-03-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structures of Phascolopsis gouldii wild type and L98Y methemerythrins: structural and functional alterations of the O2 binding pocket. J.Biol.Inorg.Chem., 6, 2001
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4NYT
| L-Ficolin Complexed to Phosphocholine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Laffly, E, Gaboriaud, C, Martin, L, Thielens, N. | Deposit date: | 2013-12-11 | Release date: | 2014-10-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Human L-ficolin recognizes phosphocholine moieties of pneumococcal teichoic Acid J.Immunol., 193, 2014
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4AS1
| Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation | Descriptor: | LEUCINE--TRNA LIGASE, MAGNESIUM ION, TRNA-LEU5 (UAA ISOACEPTOR) | Authors: | Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S. | Deposit date: | 2012-04-27 | Release date: | 2012-06-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase Nat.Struct.Mol.Biol., 19, 2012
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2IQ6
| Crystal Structure of the Aminopeptidase from Vibrio proteolyticus in Complexation with Leucyl-leucyl-leucine. | Descriptor: | Bacterial leucyl aminopeptidase, Peptide, (Leucyl-leucyl-leucine), ... | Authors: | Kumar, A, Narayanan, B, Kim, J.-J.P, Bennett, B. | Deposit date: | 2006-10-13 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Experimental evidence for a metallohydrolase mechanism in which the nucleophile is not delivered by a metal ion: EPR spectrokinetic and structural studies of aminopeptidase from Vibrio proteolyticus Biochem.J., 403, 2007
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4ARI
| Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation | Descriptor: | GLYCEROL, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ... | Authors: | Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase Nat.Struct.Mol.Biol., 19, 2012
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5VIH
| Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-fluorophenyl-ACEPC | Descriptor: | 5-[(2R)-2-amino-2-carboxyethyl]-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCINE, ... | Authors: | Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B. | Deposit date: | 2017-04-16 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1XPZ
| Structure of human carbonic anhydrase II with 4-[4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole | Descriptor: | 4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE, Carbonic anhydrase II, ZINC ION | Authors: | Lloyd, M.D, Thiyagarajan, N, Ho, Y.T, Woo, L.W.L, Sutcliffe, O.B, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2004-10-11 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,) Biochemistry, 44, 2005
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3KAF
| Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | Descriptor: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | Deposit date: | 2009-10-19 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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5VIJ
| Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-bromophenyl-ACEPC | Descriptor: | 5-[(2R)-2-amino-2-carboxyethyl]-1-(4-bromophenyl)-1H-pyrazole-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ... | Authors: | Mou, T.-C, Conti, P, Pinto, A, Tamborini, L, Sprang, S.R, Hansen, K.B. | Deposit date: | 2017-04-16 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Structural basis of subunit selectivity for competitive NMDA receptor antagonists with preference for GluN2A over GluN2B subunits. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2VT8
| Structure of a conserved dimerisation domain within Fbox7 and PI31 | Descriptor: | PROTEASOME INHIBITOR PI31 SUBUNIT | Authors: | Kirk, R.J, Murray-Rust, J, Knowles, P.P, Laman, H, McDonald, N.Q. | Deposit date: | 2008-05-12 | Release date: | 2008-05-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of a Conserved Dimerization Domain within the F-Box Protein Fbxo7 and the Pi31 Proteasome Inhibitor. J.Biol.Chem., 283, 2008
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1XQ0
| Structure of human carbonic anhydrase II with 4-[(3-bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole | Descriptor: | 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE, Carbonic anhydrase II, ZINC ION | Authors: | Lloyd, M.D, Thiyagarajan, N, Ho, Y.T, Woo, L.W.L, Sutcliffe, O.B, Purohit, A, Reed, M.J, Acharya, K.R, Potter, B.V.L. | Deposit date: | 2004-10-11 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,) Biochemistry, 44, 2005
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