PDB: 961 件ウェブページステータス検索Chemie searchBIRD

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3JVW	HIV-1 Protease Mutant G86A with symmetric inhibitor DMP323 分子名称: Gag-Pol polyprotein, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE 著者 Tie, Y, Weber, I.T. 登録日 2009-09-17 公開日 2009-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease Proteins, 78, 2009
3JW2	HIV-1 Protease Mutant G86S with DARUNAVIR 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Gag-Pol polyprotein, ... 著者 Tie, Y, Weber, I.T. 登録日 2009-09-17 公開日 2009-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease Proteins, 78, 2009
3KFR	HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 1F1 in the outside/top of flap 分子名称: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ... 著者 Stout, C.D. 登録日 2009-10-27 公開日 2010-02-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Fragment-based screen against HIV protease. Chem.Biol.Drug Des., 75, 2010
3KDB	Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006 分子名称: (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease 著者 Chufan, E.E, Lafont, V, Freire, E, Amzel, L.M. 登録日 2009-10-22 公開日 2010-03-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 How much binding affinity can be gained by filling a cavity? Chem.Biol.Drug Des., 75, 2010
3KFP	HIV Protease (PR) with inhibitor TL-3 bound, and DMSOs in exo site 分子名称: BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Protease, ... 著者 Stout, C.D. 登録日 2009-10-27 公開日 2010-02-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Fragment-based screen against HIV protease. Chem.Biol.Drug Des., 75, 2010
3HVP	CONSERVED FOLDING IN RETROVIRAL PROTEASES. CRYSTAL STRUCTURE OF A SYNTHETIC HIV-1 PROTEASE 分子名称: UNLIGANDED HIV-1 PROTEASE 著者 Wlodawer, A, Jaskolski, M, Miller, M. 登録日 1989-08-08 公開日 1989-10-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Conserved folding in retroviral proteases: crystal structure of a synthetic HIV-1 protease. Science, 245, 1989
3LIN	crystal structure of HTLV protease complexed with the inhibitor, KNI-10562 分子名称: N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide, Protease 著者 Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. 登録日 2010-01-25 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
3LIQ	Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673 分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide, Protease 著者 Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. 登録日 2010-01-25 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
3LIY	crystal structure of HTLV protease complexed with Statine-containing peptide inhibitor 分子名称: DI(HYDROXYETHYL)ETHER, Protease, statine-containing inhibitor 著者 Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. 登録日 2010-01-25 公開日 2010-07-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
3LIX	crystal structure of htlv protease complexed with the inhibitor KNI-10729 分子名称: N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide, Protease, ZINC ION 著者 Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. 登録日 2010-01-25 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
3I2L	Crystal structure of a chemically synthesized [allo-Ile50/50']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor 分子名称: HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2009-06-29 公開日 2011-04-27 最終更新日 2014-02-12 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hydrogen bonds at the protein-inhibitor interface in the HIV-1 protease / inhibitors complexes probed by total chemical synthesis and X-ray crystallography To be Published
3I6O	Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ... 著者 Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. 登録日 2009-07-07 公開日 2009-09-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance. J.Med.Chem., 52, 2009
3KT2	Crystal Structure of N88D mutant HIV-1 Protease 分子名称: Protease 著者 Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V. 登録日 2009-11-24 公開日 2010-02-16 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.651 Å) 主引用文献 Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S. Biochem.Biophys.Res.Commun., 389, 2009
3LIV	crystal structure of HTLV protease complexed with the inhibitor KNI-10683 分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, Protease 著者 Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. 登録日 2010-01-25 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
3LIT	The crystal structure of htlv protease complexed with the inhibitor KNI-10681 分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide, Protease 著者 Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. 登録日 2010-01-25 公開日 2010-07-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
1K2C	Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance 分子名称: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN 著者 Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, W Harrison, R, Weber, I.T. 登録日 2001-09-26 公開日 2002-07-10 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Combining mutations in HIV-1 protease to understand mechanisms of resistance. Proteins, 48, 2002
1K2B	Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance 分子名称: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN 著者 Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, W Harrison, R, Weber, I.T. 登録日 2001-09-26 公開日 2002-07-10 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Combining mutations in HIV-1 protease to understand mechanisms of resistance. Proteins, 48, 2002
1JLD	Potent hiv protease inhibitors containing a novel (hydroxyethyl)amide isostere 分子名称: (2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamide, Pol polyprotein 著者 Tong, L. 登録日 1997-05-31 公開日 1997-12-03 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere. J.Med.Chem., 40, 1997
1K6T	LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE 分子名称: ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN TANAMIDE, POL polyprotein 著者 Schiffer, C.A. 登録日 2001-10-17 公開日 2002-02-06 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease. Protein Sci., 11, 2002
1K6V	LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE 分子名称: ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4-HYDROXY-2-(1-PHE NYLETHYL)-PENTANAMIDE, POL polyprotein 著者 Schiffer, C.A. 登録日 2001-10-17 公開日 2002-02-06 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease. Protein Sci., 11, 2002
1MER	HIV-1 MUTANT (I84V) PROTEASE COMPLEXED WITH DMP450 分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE 著者 Ala, P, Chang, C.-H. 登録日 1997-04-11 公開日 1998-04-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors. Biochemistry, 36, 1997
1M0B	HIV-1 protease in complex with an ethyleneamine inhibitor 分子名称: GLYCEROL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN 著者 Petrokova, H, Hasek, J, Dohnalek, J. 登録日 2002-06-12 公開日 2004-01-13 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Role of hydroxyl group and R/S configuration of isostere in binding properties of HIV-1 protease inhibitors Eur.J.Biochem., 271, 2004
1MES	HIV-1 MUTANT (I84V) PROTEASE COMPLEXED WITH DMP323 分子名称: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE 著者 Ala, P, Chang, C.-H. 登録日 1997-04-11 公開日 1998-04-15 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors. Biochemistry, 36, 1997
1LZQ	Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2 分子名称: BETA-MERCAPTOETHANOL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN 著者 Skalova, T, Hasek, J, Dohnalek, J, Petrokova, H, Buchtelova, E, Soucek, M, Majer, P, Uhlikova, T, Konvalinka, J. 登録日 2002-06-11 公開日 2003-04-29 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 An Ethylenamine Inhibitor Binds Tightly to Both Wild Type and Mutant HIV-1 Proteases. Structure and Energy Study J.Med.Chem., 46, 2003
1KJ4	SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES 分子名称: ACETATE ION, POL polyprotein, gag polyprotein 著者 Schiffer, C.A. 登録日 2001-12-04 公開日 2002-03-06 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes. Structure, 10, 2002

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