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3DCK
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BU of 3dck by Molmil
X-ray structure of D25N chemical analogue of HIV-1 protease complexed with ketomethylene isostere inhibitor
Descriptor: (2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide, Chemical analogue HIV-1 protease
Authors:Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H.
Deposit date:2008-06-03
Release date:2008-08-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
3DCR
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BU of 3dcr by Molmil
X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor
Descriptor: Chemical analogue HIV-1 protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
Authors:Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H.
Deposit date:2008-06-04
Release date:2008-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
3FSM
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BU of 3fsm by Molmil
CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' [L-Ala51,D-Ala51'] HIV-1 PROTEASE MOLECULE
Descriptor: COVALENT DIMER [L-Ala51, D-Ala51'] 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
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-01-10
Release date:2010-01-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
2O40
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BU of 2o40 by Molmil
Crystal Structure of a Chemically Synthesized 203 Amino Acid 'Covalent Dimer' HIV-1 Protease Molecule
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, covalent dimer HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2006-12-02
Release date:2006-12-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Convergent chemical synthesis and crystal structure of a 203 amino acid "covalent dimer" HIV-1 protease enzyme molecule.
Angew.Chem.Int.Ed.Engl., 46, 2007
3NWQ
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BU of 3nwq by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-10
Release date:2011-11-02
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NXE
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BU of 3nxe by Molmil
X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease covalent dimer
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-13
Release date:2011-11-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NXN
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BU of 3nxn by Molmil
X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
Descriptor: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-14
Release date:2011-11-02
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NYG
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BU of 3nyg by Molmil
X-ray structure of ester chemical analogue [O-Gly51,O-Gly51']HIV-1 protease complexed with MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-15
Release date:2011-11-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NWX
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BU of 3nwx by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
Descriptor: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-12
Release date:2011-11-02
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3GI0
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BU of 3gi0 by Molmil
Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [l-ala51,d-ala51'] hiv-1 protease molecule complexed with jg-365 inhibitor
Descriptor: COVALENT DIMER [L-ALA51,D-ALA51'] HIV-1 PROTEASE, JG-365 inhibitor
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-03-04
Release date:2011-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Correlations of protein dynamics with function in HIV-1 protease catalysis
To be Published
3HAU
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BU of 3hau by Molmil
Crystal structure of chemically synthesized HIV-1 protease with reduced isostere MVT-101 inhibitor
Descriptor: 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, SULFATE ION
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HAW
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BU of 3haw by Molmil
Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HBO
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BU of 3hbo by Molmil
Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-04
Release date:2010-05-26
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HDK
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BU of 3hdk by Molmil
Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-07
Release date:2010-04-28
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HZC
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BU of 3hzc by Molmil
Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [Gly51;Aib51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Gly51;Aib51'] 'covalent dimer' HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-06-23
Release date:2011-04-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
3HLO
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BU of 3hlo by Molmil
Crystal structure of chemically synthesized 'covalent dimer' [Gly51/D-Ala51']HIV-1 protease
Descriptor: 'covalent dimer' [Gly51/D-Ala51'] 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
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-27
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3I2L
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BU of 3i2l by Molmil
Crystal structure of a chemically synthesized [allo-Ile50/50']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor
Descriptor: 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
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-06-29
Release date:2011-04-27
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
3IAW
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BU of 3iaw by Molmil
Crystal structure of a chemically synthesized 203 amino acid 'covalent dimer' [Gly51;Aib51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.6 A resolution
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [Gly51;Aib51'] 'covalent dimer' HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-07-14
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3IA9
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BU of 3ia9 by Molmil
Crystal structure of a chemically synthesized [D25N]HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [D25N]HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-07-13
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
3KA2
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BU of 3ka2 by Molmil
Crystal structure of chemically synthesized 203 amino acid 'covalent dimer' [L-Ala;Gly51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.4 A resolution
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [L-Ala51;Gly51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-10-18
Release date:2011-04-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3UE7
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BU of 3ue7 by Molmil
X-ray crystal structure of a novel topological analogue of crambin
Descriptor: Crambin, D-Crambin
Authors:Mandal, K, Pentelute, B.L, Bang, D, Gates, Z.P, Torbeev, V.Y, Kent, S.B.H.
Deposit date:2011-10-28
Release date:2012-02-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Design, total chemical synthesis, and x-ray structure of a protein having a novel linear-loop polypeptide chain topology.
Angew.Chem.Int.Ed.Engl., 51, 2012
2NWD
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BU of 2nwd by Molmil
Structure of chemically synthesized human lysozyme at 1 Angstrom resolution
Descriptor: Lysozyme C
Authors:Durek, T, Torbeev, V.Y, Kent, S.B.H.
Deposit date:2006-11-14
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Convergent chemical synthesis and high-resolution x-ray structure of human lysozyme.
Proc.Natl.Acad.Sci.Usa, 104, 2007

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