6M8Y
 
 | | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIPF | | Descriptor: | AIPF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | | Deposit date: | 2018-08-22 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
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6M8W
 | | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIAF | | Descriptor: | AIAF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | | Deposit date: | 2018-08-22 | | Release date: | 2018-10-24 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
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1NLU
 | | Pseudomonas sedolisin (serine-carboxyl proteinase) complexed with two molecules of pseudo-iodotyrostatin | | Descriptor: | CALCIUM ION, PSEUDO-IODOTYROSTATIN, SEDOLISIN | | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Glodfarb, N.E, Dunn, B.M, Oda, K. | | Deposit date: | 2003-01-07 | | Release date: | 2004-01-20 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Two inhibitor molecules bound in the active site of Pseudomonas sedolisin: a model for the bi-product complex following cleavage of a peptide substrate.
Biochem.Biophys.Res.Commun., 314, 2004
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1SGU
 | | Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | | Descriptor: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein | | Authors: | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, Mckenna, R, Abandje-McKenna, M, Goodenow, M.M, Dunn, B.M. | | Deposit date: | 2004-02-24 | | Release date: | 2004-10-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease.
Biochemistry, 43, 2004
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1SH9
 | | Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | | Descriptor: | POL polyprotein, RITONAVIR | | Authors: | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, McKenna, R, Abanje-McKenna, M, Goodenow, M.M, Dunn, B.M. | | Deposit date: | 2004-02-25 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease.
Biochemistry, 43, 2004
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2B7Z
 | | Structure of HIV-1 protease mutant bound to indinavir | | Descriptor: | HIV-1 protease, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | | Authors: | Clemente, J.C, Stow, L.R, Janka, L.K, Jeung, J.A, Desai, K.A, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Goodenow, M.M, Dunn, B.M. | | Deposit date: | 2005-10-05 | | Release date: | 2006-11-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | In vivo, kinetic, and structural analysis of the development of ritonavir resistance
To be Published
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2FLE
 | | Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant | | Descriptor: | (2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE], GLYCEROL, pol protein | | Authors: | Clemente, J.C, Robbins, A, Dunn, B.M, Sussman, F. | | Deposit date: | 2006-01-05 | | Release date: | 2007-01-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation.
J.Med.Chem., 51, 2008
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7M7C
 | | Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine) | | Descriptor: | Carboxylesterase A | | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | Deposit date: | 2021-03-27 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c)
To Be Published
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1EED
 | | X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors | | Descriptor: | (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid, ENDOTHIAPEPSIN | | Authors: | Blundell, T.L, Frazao, C, Cooper, J.B. | | Deposit date: | 1992-06-15 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors.
Biochemistry, 31, 1992
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3IXO
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4QGI
 | | X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL, Protease | | Authors: | Mahon, B.P, McKenna, R, Goldfarb, N. | | Deposit date: | 2014-05-22 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency.
Biochemistry, 54, 2015
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3F9Q
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5KQZ
 | | Protease E35D-CaP2 | | Descriptor: | 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 | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KQY
 | | Protease E35D-DRV | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease E35D-DRV | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KR1
 | | Protease PR5-DRV | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KQX
 | | Protease E35D-SQV | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KR0
 | | Protease E35D-APV | | Descriptor: | GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5KR2
 | | Protease PR5-SQV | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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1ZVK
 | | Structure of Double mutant, D164N, E78H of Kumamolisin-As | | Descriptor: | CALCIUM ION, kumamolisin-As | | Authors: | Li, M, Wlodawer, A, Gustchina, A, Nakayama, T. | | Deposit date: | 2005-06-02 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Processing, catalytic activity and crystal structures of kumamolisin-As with an engineered active site.
Febs J., 273, 2006
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1ZVJ
 | | Structure of Kumamolisin-AS mutant, D164N | | Descriptor: | CALCIUM ION, SULFATE ION, kumamolisin-As | | Authors: | Li, M, Wlodawer, A, Gustchina, A, Nakayama, T. | | Deposit date: | 2005-06-02 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Processing, catalytic activity and crystal structures of kumamolisin-As with an engineered active site.
Febs J., 273, 2006
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1F32
 | | CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 | | Descriptor: | MAJOR PEPSIN INHIBITOR PI-3 | | Authors: | Ng, K.K, Petersen, J.F, Cherney, M.M, Garen, C, James, M.N. | | Deposit date: | 2000-05-31 | | Release date: | 2001-02-01 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for the inhibition of porcine pepsin by Ascaris pepsin inhibitor-3.
Nat.Struct.Biol., 7, 2000
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1F34
 | | CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 BOUND TO PORCINE PEPSIN | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR PEPSIN INHIBITOR PI-3, PEPSIN A | | Authors: | Ng, K.K, Petersen, J.F, Cherney, M.M, Garen, C, James, M.N. | | Deposit date: | 2000-05-31 | | Release date: | 2001-02-01 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural basis for the inhibition of porcine pepsin by Ascaris pepsin inhibitor-3.
Nat.Struct.Biol., 7, 2000
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1GA6
 | | CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH A FRAGMENT OF TYROSTATIN (THIS ENZYME RENAMED "SEDOLISIN" IN 2003) | | Descriptor: | ACETATE ION, CALCIUM ION, FRAGMENT OF TYROSTATIN, ... | | Authors: | Wlodawer, A, Li, M, Dauter, Z, Gustchina, A, Uchida, K. | | Deposit date: | 2000-11-29 | | Release date: | 2000-12-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Carboxyl proteinase from Pseudomonas defines a novel family of subtilisin-like enzymes.
Nat.Struct.Biol., 8, 2001
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1GA4
 | | CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH INHIBITOR PSEUDOIODOTYROSTATIN (THIS ENZYME RENAMED "SEDOLISIN" IN 2003) | | Descriptor: | CALCIUM ION, GLYCEROL, PSEUDOIODOTYROSTATIN, ... | | Authors: | Wlodawer, A, Li, M, Dauter, Z, Gustchina, A, Uchida, K. | | Deposit date: | 2000-11-29 | | Release date: | 2000-12-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Carboxyl proteinase from Pseudomonas defines a novel family of subtilisin-like enzymes.
Nat.Struct.Biol., 8, 2001
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1GNO
 | | HIV-1 PROTEASE (WILD TYPE) COMPLEXED WITH U89360E (INHIBITOR) | | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | | Authors: | Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J. | | Deposit date: | 1996-05-04 | | Release date: | 1996-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
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