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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
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
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
5UDP
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BU of 5udp by Molmil
High resolution x-ray crystal structure of synthetic insulin lispro
Descriptor: CHLORIDE ION, Insulin Lispro A chain, Insulin Lispro B chain, ...
Authors:Mandal, K, Dhayalan, B, Kent, S.B.H.
Deposit date:2016-12-28
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.348 Å)
Cite:Scope and Limitations of Fmoc Chemistry SPPS-Based Approaches to the Total Synthesis of Insulin Lispro via Ester Insulin.
Chemistry, 23, 2017
2LET
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BU of 2let by Molmil
AN 1H NMR DETERMINATION OF THE THREE DIMENSIONAL STRUCTURES OF MIRROR IMAGE FORMS OF A LEU-5 VARIANT OF THE TRYPSIN INHIBITOR ECBALLIUM ELATERIUM (EETI-II)
Descriptor: TRYPSIN INHIBITOR II
Authors:Nielsen, K.J, Alewood, D, Andrews, J, Kent, S.B.H, Craik, D.J.
Deposit date:1994-01-04
Release date:1994-05-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:An 1H NMR determination of the three-dimensional structures of mirror-image forms of a Leu-5 variant of the trypsin inhibitor from Ecballium elaterium (EETI-II).
Protein Sci., 3, 1994
2NUI
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BU of 2nui by Molmil
X-ray Structure of synthetic [D83A]RNase A
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ribonuclease pancreatic
Authors:Boerema, D.J, Tereshko, V.A, Kent, S.B.H.
Deposit date:2006-11-09
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Total synthesis by modern chemical ligation methods and high resolution (1.1 A) X-ray structure of ribonuclease A
Biopolymers, 90, 2008
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
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
2PNE
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BU of 2pne by Molmil
Crystal Structure of the Snow Flea Antifreeze Protein
Descriptor: 6.5 kDa glycine-rich antifreeze protein
Authors:Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M.
Deposit date:2007-04-24
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008
7LL8
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BU of 7ll8 by Molmil
D-Protein RFX-V1 Bound to the VEGFR1 Domain 2 Site on VEGF-A
Descriptor: Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V1
Authors:Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S.
Deposit date:2021-02-03
Release date:2021-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
7LL9
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BU of 7ll9 by Molmil
D-Protein RFX-V2 Bound to the VEGFR1 Domain 3 Site on VEGF-A
Descriptor: Isoform L-VEGF189 of Vascular endothelial growth factor A, RFX-V2
Authors:Marinec, P.S, Landgraf, K.E, Uppalapati, M, Chen, G, Xie, D, Jiang, Q, Zhao, Y, Petriello, A, Deshayes, K, Kent, S.B.H, Ault-Riche, D, Sidhu, S.S.
Deposit date:2021-02-03
Release date:2021-03-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Non-immunogenic Bivalent d-Protein Potently Inhibits Retinal Vascularization and Tumor Growth.
Acs Chem.Biol., 16, 2021
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
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
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
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
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
2OQF
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BU of 2oqf by Molmil
Structure of a synthetic, non-natural analogue of RNase A: [N71K(Ade), D83A]RNase A
Descriptor: Ribonuclease pancreatic
Authors:Boerema, D.J, Tereshko, V.A, Zhang, J.L, He, C, Kent, S.B.H.
Deposit date:2007-01-31
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Characterization of Non-natural RNase A Analogues with Enhanced Second-step Catalytic Activity
To be Published
1LPV
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BU of 1lpv by Molmil
DROSOPHILA MELANOGASTER DOUBLESEX (DSX), NMR, 18 STRUCTURES
Descriptor: Doublesex protein, ZINC ION
Authors:Zhu, L, Wilken, J, Phillips, N, Narendra, U, Chan, G, Stratton, S, Kent, S, Weiss, M.A.
Deposit date:2002-05-08
Release date:2002-10-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Sexual dimorphism in diverse metazoans is regulated by a novel class of intertwined zinc fingers.
Genes Dev., 14, 2000
3HVP
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BU of 3hvp by Molmil
CONSERVED FOLDING IN RETROVIRAL PROTEASES. CRYSTAL STRUCTURE OF A SYNTHETIC HIV-1 PROTEASE
Descriptor: UNLIGANDED HIV-1 PROTEASE
Authors:Wlodawer, A, Jaskolski, M, Miller, M.
Deposit date:1989-08-08
Release date:1989-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conserved folding in retroviral proteases: crystal structure of a synthetic HIV-1 protease.
Science, 245, 1989
3SQF
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BU of 3sqf by Molmil
Crystal structure of monomeric M-PMV retroviral protease
Descriptor: Protease
Authors:Jaskolski, M, Kazmierczyk, M, Gilski, M, Krzywda, S, Pichova, I, Zabranska, H, Khatib, F, DiMaio, F, Cooper, S, Thompson, J, Popovic, Z, Baker, D, Group, Foldit Contenders
Deposit date:2011-07-05
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6324 Å)
Cite:Crystal structure of a monomeric retroviral protease solved by protein folding game players.
Nat.Struct.Mol.Biol., 18, 2011
7BGU
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BU of 7bgu by Molmil
Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor
Descriptor: Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, peptidomimetic inhibitor
Authors:Wosicki, S, Gilski, M, Kazmierczyk, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2021-01-08
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.433 Å)
Cite:Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops.
Protein Sci., 30, 2021
7BGT
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BU of 7bgt by Molmil
Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor
Descriptor: ACETATE ION, Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, ...
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2021-01-08
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops.
Protein Sci., 30, 2021
2JE4
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BU of 2je4 by Molmil
Atomic-resolution crystal structure of chemically-synthesized HIV-1 protease in complex with JG-365
Descriptor: ACETATE ION, GLYCEROL, INHIBITOR MOLECULE JG365, ...
Authors:Malito, E, Johnson, E.C.B, Tang, W.J.
Deposit date:2007-01-15
Release date:2007-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Modular Total Chemical Synthesis of a Human Immunodeficiency Virus Type 1 Protease.
J.Am.Chem.Soc., 129, 2007

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