2BDB
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![BU of 2bdb by Molmil](/molmil-images/mine/2bdb) | Porcine pancreatic elastase complexed with Asn-Pro-Ile and Ala-Ala at pH 5.0 | Descriptor: | ALANINE, CALCIUM ION, Elastase-1, ... | Authors: | Liu, B, Schofield, C.J, Wilmouth, R.C. | Deposit date: | 2005-10-20 | Release date: | 2006-05-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural analyses on intermediates in serine protease catalysis J.Biol.Chem., 281, 2006
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2BDC
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1D6W
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![BU of 1d6w by Molmil](/molmil-images/mine/1d6w) | STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTROPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 | Descriptor: | (5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, DECAPEPTIDE INHIBITOR, SODIUM ION, ... | Authors: | Mochalkin, I, Tulinsky, A. | Deposit date: | 1999-10-15 | Release date: | 2000-10-25 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
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7JI2
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![BU of 7ji2 by Molmil](/molmil-images/mine/7ji2) | Crystal Structure of H2-Kb in complex with a OVA mutant peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | Deposit date: | 2020-07-22 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection. Science, 371, 2021
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1REV
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![BU of 1rev by Molmil](/molmil-images/mine/1rev) | HIV-1 REVERSE TRANSCRIPTASE | Descriptor: | 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | Authors: | Ren, J, Esnouf, R, Hopkins, A, Ross, C, Jones, Y, Stammers, D, Stuart, D. | Deposit date: | 1995-09-17 | Release date: | 1996-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure of HIV-1 reverse transcriptase complexed with 9-chloro-TIBO: lessons for inhibitor design. Structure, 3, 1995
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1QD1
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![BU of 1qd1 by Molmil](/molmil-images/mine/1qd1) | THE CRYSTAL STRUCTURE OF THE FORMIMINOTRANSFERASE DOMAIN OF FORMIMINOTRANSFERASE-CYCLODEAMINASE. | Descriptor: | FORMIMINOTRANSFERASE-CYCLODEAMINASE, GLYCEROL, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid | Authors: | Kohls, D, Sulea, T, Purisima, E, MacKenzie, R.E, Vrielink, A. | Deposit date: | 1999-07-08 | Release date: | 2000-01-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of the formiminotransferase domain of formiminotransferase-cyclodeaminase: implications for substrate channeling in a bifunctional enzyme. Structure Fold.Des., 8, 2000
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1R6N
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![BU of 1r6n by Molmil](/molmil-images/mine/1r6n) | HPV11 E2 TAD complex crystal structure | Descriptor: | 2-METHYL-PROPIONIC ACID, DIMETHYL SULFOXIDE, HPV11 REGULATORY PROTEIN E2, ... | Authors: | Wang, Y, Coulombe, R. | Deposit date: | 2003-10-15 | Release date: | 2004-02-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the E2 Transactivation Domain of Human
Papillomavirus Type 11 Bound to a Protein Interaction Inhibitor J.Biol.Chem., 279, 2004
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1RS9
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![BU of 1rs9 by Molmil](/molmil-images/mine/1rs9) | Bovine endothelial NOS heme domain with D-phenylalanine-D-nitroarginine amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-12-09 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structures of the neuronal and endothelial nitric oxide synthase heme domain with D-nitroarginine-containing dipeptide inhibitors bound. Biochemistry, 43, 2004
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1RF8
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![BU of 1rf8 by Molmil](/molmil-images/mine/1rf8) | Solution structure of the yeast translation initiation factor eIF4E in complex with m7GDP and eIF4GI residues 393 to 490 | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic initiation factor 4F subunit p150, Eukaryotic translation initiation factor 4E, ... | Authors: | Gross, J.D, Moerke, N.J, von der Haar, T, Lugovskoy, A.A, Sachs, A.B, McCarthy, J.E.G, Wagner, G. | Deposit date: | 2003-11-07 | Release date: | 2003-12-23 | Last modified: | 2024-03-06 | Method: | SOLUTION NMR | Cite: | Ribosome loading onto the mRNA cap is driven by conformational coupling between eIF4G and eIF4E. Cell(Cambridge,Mass.), 115, 2003
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2AM1
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![BU of 2am1 by Molmil](/molmil-images/mine/2am1) | sp protein ligand 1 | Descriptor: | 2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTHIOPHEN-2YL)-5-(MORPHOLINE-4-SULFONYL)-BENZAMIDE, GLYCEROL, UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, ... | Authors: | Longenecker, K.L, Stamper, G.F, Hajduk, P.J, Fry, E.H, Jakob, C.G, Harlan, J.E, Edalji, R, Bartley, D.M, Walter, K.A, Solomon, L.R. | Deposit date: | 2005-08-08 | Release date: | 2006-01-24 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure Protein Sci., 14, 2005
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2AI3
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![BU of 2ai3 by Molmil](/molmil-images/mine/2ai3) | Purine nucleoside phosphorylase from calf spleen | Descriptor: | (2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | Authors: | Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E. | Deposit date: | 2005-07-28 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase. Acta Crystallogr.,Sect.D, 61, 2005
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1UKS
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![BU of 1uks by Molmil](/molmil-images/mine/1uks) | Crystal structure of F183L/F259L mutant cyclodextrin glucanotransferase complexed with a pseudo-maltotetraose derived from acarbose | Descriptor: | 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-beta-D-galactopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, ... | Authors: | Haga, K, Kanai, R, Sakamoto, O, Harata, K, Yamane, K. | Deposit date: | 2003-09-01 | Release date: | 2004-02-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Effects of Essential Carbohydrate/Aromatic Stacking Interaction with Tyr100 and Phe259 on Substrate Binding of Cyclodextrin Glycosyltransferase from Alkalophilic Bacillus sp. 1011 J.Biochem.(Tokyo), 134, 2003
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2AVX
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![BU of 2avx by Molmil](/molmil-images/mine/2avx) | solution structure of E coli SdiA1-171 | Descriptor: | N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE, Regulatory protein sdiA | Authors: | Yao, Y, Martinez-Yamout, M.A, Dickerson, T.J, Brogan, A.P, Wright, P.E, Dyson, H.J. | Deposit date: | 2005-08-30 | Release date: | 2006-06-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the Escherichia coli quorum sensing protein SdiA: activation of the folding switch by acyl homoserine lactones. J.Mol.Biol., 355, 2006
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1VAG
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![BU of 1vag by Molmil](/molmil-images/mine/1vag) | Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric-oxide synthase, ... | Authors: | Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. | Deposit date: | 2004-02-16 | Release date: | 2004-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design Proc.Natl.Acad.Sci.USA, 101, 2004
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1D1W
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![BU of 1d1w by Molmil](/molmil-images/mine/1d1w) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND) | Descriptor: | 2-AMINOTHIAZOLINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-09-21 | Release date: | 2000-10-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas. J.Inorg.Biochem., 81, 2000
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1UTR
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![BU of 1utr by Molmil](/molmil-images/mine/1utr) | UTEROGLOBIN-PCB COMPLEX (REDUCED FORM) | Descriptor: | 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL, UTEROGLOBIN | Authors: | Hard, T, Barnes, H.J, Larsson, C, Gustafsson, J.-A, Lund, J. | Deposit date: | 1995-09-01 | Release date: | 1995-12-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a mammalian PCB-binding protein in complex with a PCB. Nat.Struct.Biol., 2, 1995
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1V2K
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![BU of 1v2k by Molmil](/molmil-images/mine/1v2k) | Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2 | Descriptor: | CALCIUM ION, SULFATE ION, Trypsin, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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2EIJ
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![BU of 2eij by Molmil](/molmil-images/mine/2eij) | Bovine heart cytochrome C oxidase in the fully reduced 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 (1.9 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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1VAF
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![BU of 1vaf by Molmil](/molmil-images/mine/1vaf) | Inducible nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric oxide synthase, ... | Authors: | Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. | Deposit date: | 2004-02-16 | Release date: | 2004-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design Proc.Natl.Acad.Sci.USA, 101, 2004
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1V55
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![BU of 1v55 by Molmil](/molmil-images/mine/1v55) | Bovine heart cytochrome c oxidase at the fully reduced 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: | Tsukihara, T, Shimokata, K, Katayama, Y, Shimada, H, Muramoto, K, Aoyama, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Yao, M, Ishimura, Y, Yoshikawa, S. | Deposit date: | 2003-11-21 | Release date: | 2003-12-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The low-spin heme of cytochrome c oxidase as the driving element of the proton-pumping process. Proc.Natl.Acad.Sci.Usa, 100, 2003
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2PFX
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2E75
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![BU of 2e75 by Molmil](/molmil-images/mine/2e75) | Crystal Structure of the Cytochrome b6f Complex with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO) 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, 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE, ... | 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 (3.55 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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2EPN
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![BU of 2epn by Molmil](/molmil-images/mine/2epn) | N-acetyl-B-D-glucosaminidase (GCNA) from Streptococcus gordonii | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, N-acetyl-beta-D-glucosaminidase | Authors: | Langley, D.B. | Deposit date: | 2007-03-30 | Release date: | 2008-03-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure of N-acetyl-beta-D-glucosaminidase (GcnA) from the Endocarditis Pathogen Streptococcus gordonii and its Complex with the Mechanism-based Inhibitor NAG-thiazoline J.Mol.Biol., 377, 2008
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2EIM
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![BU of 2eim by Molmil](/molmil-images/mine/2eim) | Zinc ion binding structure of bovine heart cytochrome C oxidase in the fully reduced 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 (2.6 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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1UWB
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![BU of 1uwb by Molmil](/molmil-images/mine/1uwb) | TYR 181 CYS HIV-1 RT/8-CL TIBO | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE | Authors: | Das, K, Ding, J, Hsiou, Y, Arnold, E. | Deposit date: | 1996-11-21 | Release date: | 1997-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant. J.Mol.Biol., 264, 1996
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