2E76
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![BU of 2e76 by Molmil](/molmil-images/mine/2e76) | Crystal Structure of the Cytochrome b6f Complex with tridecyl-stigmatellin (TDS) from M.laminosus | Descriptor: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE, ... | Authors: | Cramer, W.A, Yamashita, E, Zhang, H. | Deposit date: | 2007-01-05 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Structure of the Cytochrome b(6)f Complex: Quinone Analogue Inhibitors as Ligands of Heme c(n) J.Mol.Biol., 370, 2007
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1N2N
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![BU of 1n2n by Molmil](/molmil-images/mine/1n2n) | Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase. | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CYANIDE ION, ... | Authors: | Fedorov, R, Ghosh, D.K, Schlichting, I. | Deposit date: | 2002-10-23 | Release date: | 2003-02-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of cyanide complexes of P450cam and the oxygenase domain of inducible nitric oxide synthase-structural models of the short-lived oxygen complexes Arch.Biochem.Biophys., 409, 2003
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2EIN
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![BU of 2ein by Molmil](/molmil-images/mine/2ein) | Zinc ion binding structure of bovine heart cytochrome C oxidase in the fully oxidized state | 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: | Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-o, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S. | Deposit date: | 2007-03-13 | Release date: | 2007-05-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase Proc.Natl.Acad.Sci.Usa, 104, 2007
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1MRL
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![BU of 1mrl by Molmil](/molmil-images/mine/1mrl) | Crystal structure of streptogramin A acetyltransferase with dalfopristin | Descriptor: | 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, Streptogramin A acetyltransferase | Authors: | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | Deposit date: | 2002-09-18 | Release date: | 2003-08-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens J.Biol.Chem., 278, 2003
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1MTS
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![BU of 1mts by Molmil](/molmil-images/mine/1mts) | FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN | Descriptor: | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID, CALCIUM ION, TRYPSIN | Authors: | Stubbs, M.T. | Deposit date: | 1997-05-16 | Release date: | 1997-08-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin. FEBS Lett., 375, 1995
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1V3Q
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![BU of 1v3q by Molmil](/molmil-images/mine/1v3q) | Structure of human PNP complexed with DDI | Descriptor: | 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Canduri, F, Pereira, J.H, dos Santos, D.M, Silva, R.G, Palma, M.S, Basso, L.A, de Azevedo Jr, W.F, Santos, D.S. | Deposit date: | 2003-11-04 | Release date: | 2004-01-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of human purine nucleoside phosphorylase complexed with inosine and ddI Biochem.Biophys.Res.Commun., 313, 2004
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1N5V
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![BU of 1n5v by Molmil](/molmil-images/mine/1n5v) | Crystal structure of a Monooxygenase from the gene ActVA-Orf6 of Streptomyces coelicolor in complex with the ligand Nanaomycin D | Descriptor: | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE, ActVA-Orf6 monooxygenase | Authors: | Sciara, G, Kendrew, S.G, Miele, A.E, Marsh, N.G, Federici, L, Malatesta, F, Schimperna, G, Savino, C, Vallone, B. | Deposit date: | 2002-11-07 | Release date: | 2003-01-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The structure of ActVA-Orf6, a novel type of monooxygenase involved in
actinorhodin biosynthesis Embo J., 22, 2003
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1V97
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![BU of 1v97 by Molmil](/molmil-images/mine/1v97) | Crystal Structure of Bovine Milk Xanthine Dehydrogenase FYX-051 bound form | Descriptor: | 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE, ACETIC ACID, CALCIUM ION, ... | Authors: | Okamoto, K, Matsumoto, K, Hille, R, Eger, B.T, Pai, E.F, Nishino, T. | Deposit date: | 2004-01-21 | Release date: | 2004-06-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The crystal structure of xanthine oxidoreductase during catalysis: Implications for reaction mechanism and enzyme inhibition. Proc.Natl.Acad.Sci.USA, 101, 2004
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1N5X
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![BU of 1n5x by Molmil](/molmil-images/mine/1n5x) | Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound | Descriptor: | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Okamoto, K, Eger, B.T, Nishino, T, Kondo, S, Pai, E.F, Nishino, T. | Deposit date: | 2002-11-07 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | An Extremely Potent Inhibitor of Xanthine Oxidoreductase: Crystal Structure of the Enzyme-Inhibitor Complex and Mechanism of Inhibition J.BIOL.CHEM., 278, 2003
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2C90
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![BU of 2c90 by Molmil](/molmil-images/mine/2c90) | thrombin inhibitors | Descriptor: | 1-(4-CHLOROPHENYL)-1H-TETRAZOLE, DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, ... | 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 (2.25 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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1RYG
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![BU of 1ryg by Molmil](/molmil-images/mine/1ryg) | |
1Z34
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![BU of 1z34 by Molmil](/molmil-images/mine/1z34) | Crystal structure of Trichomonas vaginalis purine nucleoside phosphorylase complexed with 2-fluoro-2'-deoxyadenosine | Descriptor: | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL, purine nucleoside phosphorylase | Authors: | Zhang, Y, Wang, W.H, Wu, S.W, Wang, C.C, Ealick, S.E. | Deposit date: | 2005-03-10 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of a subversive substrate of Trichomonas vaginalis purine nucleoside phosphorylase and the crystal structure of the enzyme-substrate complex. J.Biol.Chem., 280, 2005
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2I1R
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![BU of 2i1r by Molmil](/molmil-images/mine/2i1r) | Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure | Descriptor: | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE, RNA-directed RNA polymerase (NS5B) (P68) | Authors: | Yao, N, Yan, S. | Deposit date: | 2006-08-14 | Release date: | 2006-10-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure. Bioorg.Med.Chem.Lett., 17, 2007
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1S8J
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![BU of 1s8j by Molmil](/molmil-images/mine/1s8j) | Nitrate-bound D85S mutant of bacteriorhodopsin | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin precursor, NITRATE ION, ... | Authors: | Facciotti, M.T, Cheung, V.S, Lunde, C.S, Rouhani, S, Baliga, N.S, Glaeser, R.M. | Deposit date: | 2004-02-02 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Specificity of anion binding in the substrate pocket of bacteriorhodopsin. Biochemistry, 43, 2004
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1Y5I
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![BU of 1y5i by Molmil](/molmil-images/mine/1y5i) | The crystal structure of the NarGHI mutant NarI-K86A | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, FE3-S4 CLUSTER, ... | Authors: | Bertero, M.G, Rothery, R.A, Boroumand, N, Palak, M, Blasco, F, Ginet, N, Weiner, J.H, Strynadka, N.C.J. | Deposit date: | 2004-12-02 | Release date: | 2005-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Biochemical Characterization of a Quinol Binding Site of Escherichia coli Nitrate Reductase A J.Biol.Chem., 280, 2005
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1S2G
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![BU of 1s2g by Molmil](/molmil-images/mine/1s2g) | Purine 2'deoxyribosyltransferase + 2'-deoxyadenosine | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, purine trans deoxyribosylase | Authors: | Anand, R, Kaminski, P.A, Ealick, S.E. | Deposit date: | 2004-01-08 | Release date: | 2004-03-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of purine 2'-deoxyribosyltransferase, substrate complexes, and the ribosylated enzyme intermediate at 2.0 A resolution. Biochemistry, 43, 2004
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1OIP
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![BU of 1oip by Molmil](/molmil-images/mine/1oip) | The Molecular Basis of Vitamin E Retention: Structure of Human Alpha-Tocopherol Transfer Protein | Descriptor: | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, ALPHA-TOCOPHEROL TRANSFER PROTEIN, SULFATE ION | Authors: | Meier, R, Tomizaki, T, Schulze-Briese, C, Baumann, U, Stocker, A. | Deposit date: | 2003-06-24 | Release date: | 2004-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Molecular Basis of Vitamin E Retention: Structure of Human Alpha-Tocopherol Transfer Protein J.Mol.Biol., 331, 2003
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2GET
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![BU of 2get by Molmil](/molmil-images/mine/2get) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (LT) | Descriptor: | GLYCEROL, Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | Deposit date: | 2006-03-20 | Release date: | 2006-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK. Acta Crystallogr.,Sect.D, 62, 2006
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2GEV
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![BU of 2gev by Molmil](/molmil-images/mine/2gev) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-II (LT) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Pantothenate kinase, ... | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | Deposit date: | 2006-03-20 | Release date: | 2006-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK. Acta Crystallogr.,Sect.D, 62, 2006
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2CHM
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![BU of 2chm by Molmil](/molmil-images/mine/2chm) | Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, CGMP-SPECIFIC 3', ... | Authors: | Allerton, C.M.N, Barber, C.G, Beaumont, K.C, Brown, D.G, Cole, S.M, Ellis, D, Lane, C.A.L, Maw, G.N, Mount, N.M, Rawson, D.J, Robinson, C.M, Street, S.D.A, Summerhill, N.W. | Deposit date: | 2006-03-15 | Release date: | 2006-06-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Novel Series of Potent and Selective Pde5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability J.Med.Chem., 49, 2006
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2GEU
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![BU of 2geu by Molmil](/molmil-images/mine/2geu) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-II (RT) | Descriptor: | Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | Deposit date: | 2006-03-20 | Release date: | 2006-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK. Acta Crystallogr.,Sect.D, 62, 2006
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2E27
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![BU of 2e27 by Molmil](/molmil-images/mine/2e27) | Crystal structure of Fv fragment of anti-ciguatoxin antibody complexed with ABC-ring of ciguatoxin | Descriptor: | 3,7:6,10:9,14-TRIANHYDRO-2,5,11,12,13-PENTADEOXY-4-O-(METHOXYMETHYL)-L-ARABINO-L-ALLO-TETRADEC-12-ENONIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Yokota, A, Tanaka, Y, Tsumoto, K. | Deposit date: | 2006-11-08 | Release date: | 2007-11-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Critical contribution of aromatic rings to specific recognition of polyether rings. The case of ciguatoxin CTX3C-ABC and its specific antibody 1C49. J.Biol.Chem., 283, 2008
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1JIL
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![BU of 1jil by Molmil](/molmil-images/mine/1jil) | Crystal structure of S. aureus TyrRS in complex with SB284485 | Descriptor: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID, tyrosyl-tRNA synthetase | Authors: | Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L. | Deposit date: | 2001-07-02 | Release date: | 2001-10-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors. Protein Sci., 10, 2001
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1XWV
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![BU of 1xwv by Molmil](/molmil-images/mine/1xwv) | Structure of the house dust mite allergen Der f 2: Implications for function and molecular basis of IgE cross-reactivity | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Der f II | Authors: | Johannessen, B.R, Skov, L.K, Kastrup, J.S, Kristensen, O, Bolwig, C, Larsen, J.N, Spangfort, M, Lund, K, Gajhede, M. | Deposit date: | 2004-11-02 | Release date: | 2004-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure of the house dust mite allergen Der f 2: implications for function and molecular basis of IgE cross-reactivity. Febs Lett., 579, 2005
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1KME
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![BU of 1kme by Molmil](/molmil-images/mine/1kme) | CRYSTAL STRUCTURE OF BACTERIORHODOPSIN CRYSTALLIZED FROM BICELLES | Descriptor: | 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, RETINAL, ... | Authors: | Faham, S, Bowie, J.U. | Deposit date: | 2001-12-14 | Release date: | 2002-02-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bicelle crystallization: a new method for crystallizing membrane proteins yields a monomeric bacteriorhodopsin structure. J.Mol.Biol., 316, 2002
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