7TA4
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7T9Y
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7TA7
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![BU of 7ta7 by Molmil](/molmil-images/mine/7ta7) | |
7T8R
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7TB2
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![BU of 7tb2 by Molmil](/molmil-images/mine/7tb2) | |
7TC4
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![BU of 7tc4 by Molmil](/molmil-images/mine/7tc4) | |
7TBT
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7T8M
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1TSQ
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![BU of 1tsq by Molmil](/molmil-images/mine/1tsq) | CRYSTAL STRUCTURE OF AP2V SUBSTRATE VARIANT OF NC-P1 DECAMER PEPTIDE IN COMPLEX WITH V82A/D25N HIV-1 PROTEASE MUTANT | Descriptor: | ACETATE ION, AP2V NC-P1 SUBSTRATE PEPTIDE, Pol polyprotein | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | Deposit date: | 2004-06-21 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease J.Virol., 78, 2004
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1T7J
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![BU of 1t7j by Molmil](/molmil-images/mine/1t7j) | crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease (L63P/V82T/I84V) | Descriptor: | ACETATE ION, Pol Polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | Authors: | King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A. | Deposit date: | 2004-05-10 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor J.Med.Chem., 48, 2005
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1T7I
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![BU of 1t7i by Molmil](/molmil-images/mine/1t7i) | The structural and thermodynamic basis for the binding of TMC114, a next-generation HIV-1 protease inhibitor. | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, PHOSPHATE ION, ... | Authors: | King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A. | Deposit date: | 2004-05-10 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor J.Med.Chem., 48, 2005
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1TSU
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![BU of 1tsu by Molmil](/molmil-images/mine/1tsu) | CRYSTAL STRUCTURE OF DECAMER NCP1 SUBSTRATE PEPTIDE IN COMPLEX WITH WILD-TYPE D25N HIV-1 PROTEASE VARIANT | Descriptor: | NC-P1 SUBSTRATE PEPTIDE, Pol polyprotein | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | Deposit date: | 2004-06-21 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease J.Virol., 78, 2004
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1T3R
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![BU of 1t3r by Molmil](/molmil-images/mine/1t3r) | HIV protease wild-type in complex with TMC114 inhibitor | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, PHOSPHATE ION, protease RETROPEPSIN | Authors: | King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigernick, P.B, de Bethune, M.P, Schiffer, C.A. | Deposit date: | 2004-04-27 | Release date: | 2005-05-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor J.Med.Chem., 48, 2005
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4WH6
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![BU of 4wh6 by Molmil](/molmil-images/mine/4wh6) | Crystal structure of HCV NS3/4A protease variant R155K in complex with Asunaprevir | Descriptor: | Genome polyprotein, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, SULFATE ION, ... | Authors: | Soumana, D.I, Ali, A, Schiffer, C.A. | Deposit date: | 2014-09-20 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease. Acs Chem.Biol., 9, 2014
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4WH8
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![BU of 4wh8 by Molmil](/molmil-images/mine/4wh8) | Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog. | Descriptor: | Genome polyprotein, SULFATE ION, ZINC ION, ... | Authors: | Soumana, D.I, Ali, A, Schiffer, C.A. | Deposit date: | 2014-09-20 | Release date: | 2014-10-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease. Acs Chem.Biol., 9, 2014
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4X25
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4X1L
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4X1M
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4XXO
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2FGV
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![BU of 2fgv by Molmil](/molmil-images/mine/2fgv) | X-ray crystal structure of HIV-1 Protease T80N variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity. | Descriptor: | (2S)-2-amino-3-phenylpropane-1,1-diol, 2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, ASPARAGINE, ... | Authors: | Foulkes, J.E, Prabu-Jeyabalan, M, Cooper, D, Schiffer, C.A. | Deposit date: | 2005-12-22 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity. J.Virol., 80, 2006
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2FGU
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![BU of 2fgu by Molmil](/molmil-images/mine/2fgu) | X-ray crystal structure of HIV-1 Protease T80S variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity. | Descriptor: | (2S)-2-amino-3-phenylpropane-1,1-diol, 2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, ASPARAGINE, ... | Authors: | Foulkes, J.E, Prabu-Jeyabalan, M, Cooper, D, Schiffer, C.A. | Deposit date: | 2005-12-22 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity. J.Virol., 80, 2006
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2F3K
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![BU of 2f3k by Molmil](/molmil-images/mine/2f3k) | Substrate envelope and drug resistance: crystal structure of r01 in complex with wild-type hiv-1 protease | Descriptor: | (3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE, PHOSPHATE ION, Protease | Authors: | Prabu-Jeyabalan, M, King, N.M, Nalivaika, E.A, Heilek-Snyder, G, Cammack, N, Schiffer, C.A. | Deposit date: | 2005-11-21 | Release date: | 2006-11-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Substrate envelope and drug resistance: crystal structure of RO1 in complex with wild-type human immunodeficiency virus type 1 protease. Antimicrob.Agents Chemother., 50, 2006
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4LCE
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![BU of 4lce by Molmil](/molmil-images/mine/4lce) | CtBP1 in complex with substrate MTOB | Descriptor: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. | Deposit date: | 2013-06-21 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design. Febs Lett., 588, 2014
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4LCJ
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![BU of 4lcj by Molmil](/molmil-images/mine/4lcj) | CtBP2 in complex with substrate MTOB | Descriptor: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. | Deposit date: | 2013-06-21 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design. Febs Lett., 588, 2014
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6C2N
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![BU of 6c2n by Molmil](/molmil-images/mine/6c2n) | Crystal structure of HCV NS3/4A double mutant variant Y56H/D168A in complex with danoprevir | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS4A COFACTOR-NS3 PROTEIN CHIMERA, SULFATE ION, ... | Authors: | Matthew, A.N, Schiffer, C.A. | Deposit date: | 2018-01-08 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance To Be Published
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