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2ANL
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BU of 2anl by Molmil
X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite plasmodium malariae bound to an allophenylnorstatine based inhibitor
Descriptor: (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, plasmepsin IV
Authors:Clemente, J.C, Govindasamy, L, Madabushi, A, Fisher, S.Z, Moose, R.E, Yowell, C.A, Hidaka, K, Kimura, T, Hayashi, Y, Kiso, Y, Agbandje-McKenna, M, Dame, J.B, Dunn, B.M, McKenna, R.
Deposit date:2005-08-11
Release date:2006-04-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor.
Acta Crystallogr.,Sect.D, 62, 2006
2B60
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BU of 2b60 by Molmil
Structure of HIV-1 protease mutant bound to Ritonavir
Descriptor: GLYCEROL, Gag-Pol polyprotein, RITONAVIR
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:2005-09-29
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
2AQU
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BU of 2aqu by Molmil
Structure of HIV-1 protease bound to atazanavir
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, HIV-1 Protease
Authors:Clemente, J.C, Coman, R.M, Thiaville, M.M, Janka, L.K, Jeung, J.A, Nukoolkarn, S, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Leelamanit, W, Goodenow, M.M, Dunn, B.M.
Deposit date:2005-08-18
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir.
Biochemistry, 45, 2006
2B7Z
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BU of 2b7z by Molmil
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
2FLE
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BU of 2fle by Molmil
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
1SH9
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BU of 1sh9 by Molmil
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
1SGU
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BU of 1sgu by Molmil
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
3PE6
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BU of 3pe6 by Molmil
Crystal Structure of a soluble form of human MGLL in complex with an inhibitor
Descriptor: (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone, Monoglyceride lipase
Authors:Schubert, C, Schalk-Hih, C.
Deposit date:2010-10-25
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 A resolution.
Protein Sci., 20, 2011

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