PDB: 959 件ウェブページステータス検索Chemie searchBIRD

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3SM1	The crystal structure of XMRV protease complexed with pepstatin A 分子名称: FORMIC ACID, Pepstatin A, gag-pro-pol polyprotein 著者 Li, M, Gustchina, A, Wlodawer, A. 登録日 2011-06-27 公開日 2011-10-12 最終更新日 2014-11-12 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural and biochemical characterization of the inhibitor complexes of xenotropic murine leukemia virus-related virus protease. Febs J., 278, 2011
3SAC	Crystal structure of wild-type HIV-1 protease in complex with AF80 分子名称: 3-hydroxy-N-{(2S,3R)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide, PHOSPHATE ION, Protease 著者 Schiffer, C.A, Nalam, M.N.L. 登録日 2011-06-02 公開日 2012-06-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
2I4D	Crystal structure of WT HIV-1 protease with GS-8373 分子名称: ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID, Protease 著者 Hatada, M. 登録日 2006-08-21 公開日 2007-08-21 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring. J.Mol.Biol., 363, 2006
2I4V	HIV-1 protease I84V, L90M with TMC126 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease 著者 Hatada, M. 登録日 2006-08-22 公開日 2007-08-28 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring. J.Mol.Biol., 363, 2006
6OTG	HIV-1 protease triple mutants V32I, I47V, V82I with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate) 分子名称: (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, FORMIC ACID, GLYCEROL, ... 著者 Wang, Y.-F, Pawar, S, Weber, I.T. 登録日 2019-05-03 公開日 2019-05-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural studies of antiviral inhibitor with HIV-1 protease bearing drug resistant substitutions of V32I, I47V and V82I. Biochem.Biophys.Res.Commun., 514, 2019
3SA7	Crystal structure of wild-type HIV-1 protease in complex with AF55 分子名称: N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-leucinamide, PHOSPHATE ION, Protease 著者 Schiffer, C.A, Nalam, M.N.L. 登録日 2011-06-02 公開日 2012-06-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
3SA8	Crystal structure of wild-type HIV-1 protease in complex with KB83 分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide, ACETATE ION, PHOSPHATE ION, ... 著者 Schiffer, C.A, Nalam, M.N.L. 登録日 2011-06-02 公開日 2012-06-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
3NUJ	Crystal Structure of HIV-1 Protease Mutant I54V with Antiviral Drug Amprenavir 分子名称: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER 著者 Shen, C.H, Weber, I.T. 登録日 2010-07-07 公開日 2010-08-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
5AH6	Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) 分子名称: (3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE 著者 Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. 登録日 2015-02-05 公開日 2015-05-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
5AHC	Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) 分子名称: (3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE 著者 Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. 登録日 2015-02-05 公開日 2015-05-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
5AHB	Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) 分子名称: (3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE 著者 Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. 登録日 2015-02-05 公開日 2015-05-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
1XL2	HIV-1 Protease in complex with pyrrolidinmethanamine 分子名称: CHLORIDE ION, GLYCEROL, N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE, ... 著者 Boettcher, J, Specker, E, Heine, A, Klebe, G. 登録日 2004-09-30 公開日 2005-06-07 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors Angew.Chem.Int.Ed.Engl., 44, 2005
3O9E	Crystal Structure of wild-type HIV-1 Protease in complex with af60 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... 著者 Schiffer, C.A, Nalam, M.N.L. 登録日 2010-08-04 公開日 2011-08-10 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
2AVV	Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, and G73S 分子名称: ACETIC ACID, CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, ... 著者 Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. 登録日 2005-08-30 公開日 2006-01-24 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
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
4A6C	Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors 分子名称: METHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN 著者 Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M. 登録日 2011-11-01 公開日 2012-05-09 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors. J.Med.Chem., 55, 2012
3NWQ	X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, protease 著者 Torbeev, V.Y, Kent, S.B.H. 登録日 2010-07-10 公開日 2011-11-02 最終更新日 2018-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
3O9B	Crystal Structure of wild-type HIV-1 Protease in Complex with kd25 分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, ACETATE ION, GLYCEROL, ... 著者 Schiffer, C.A, Nalam, M.N.L. 登録日 2010-08-04 公開日 2011-08-10 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
5T2E	Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 分子名称: CHLORIDE ION, Protease 著者 Agniswamy, J, Weber, I.T. 登録日 2016-08-23 公開日 2017-01-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics. PLoS ONE, 11, 2016
5IVR	Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-[[2-[(3S)-3-[(4-aminophenyl)methylamino]-4-hydroxy-butyl]phenyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate 分子名称: CHLORIDE ION, N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease 著者 Su, H.P. 登録日 2016-03-21 公開日 2016-05-18 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group. Acs Med.Chem.Lett., 7, 2016
3S53	HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P212121 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, IODIDE ION, PHOSPHATE ION, ... 著者 Tie, Y.-F, Wang, Y.-F, Weber, I.T. 登録日 2011-05-20 公開日 2012-03-21 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
3SAB	Crystal structure of wild-type HIV-1 protease in complex with AF78 分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease 著者 Schiffer, C.A, Nalam, M.N.L. 登録日 2011-06-02 公開日 2012-06-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance To be Published
4QJ6	Crystal structure of inactive HIV-1 protease variant (I50V/A71V) in complex with p1-p6 substrate variant (L449F) 分子名称: Protease, SULFATE ION, p1-p6 peptide 著者 Lin, K.H, Schiffer, C.A. 登録日 2014-06-03 公開日 2014-10-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease. Proc.Natl.Acad.Sci.USA, 111, 2014
5T2Z	Crystal Structure of Multi-drug Resistant HIV-1 Protease PR-S17 in Complex 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, Protease 著者 Agniswamy, J, Weber, I.T. 登録日 2016-08-24 公開日 2017-01-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics. PLoS ONE, 11, 2016
4DQB	Crystal Structure of wild-type HIV-1 Protease in Complex with DRV 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, 1,2-ETHANEDIOL, Aspartyl protease, ... 著者 Schiffer, C.A, Mittal, S. 登録日 2012-02-15 公開日 2012-03-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012

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