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7HVP
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BU of 7hvp by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR
Descriptor: HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365)
Authors:Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A.
Deposit date:1990-09-13
Release date:1993-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor.
Proc.Natl.Acad.Sci.USA, 87, 1990
8HVP
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BU of 8hvp by Molmil
STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR
Descriptor: HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E)
Authors:Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A.
Deposit date:1990-10-26
Release date:1993-10-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor.
Biochemistry, 30, 1991
4HVP
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Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution
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:Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A.
Deposit date:1989-08-08
Release date:1990-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution.
Science, 246, 1989
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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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
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
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
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:2023-11-15
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
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
6KMP
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BU of 6kmp by Molmil
100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1
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, Protease
Authors:Das, A, Kovalevsky, A.
Deposit date:2019-07-31
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
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
4WPY
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BU of 4wpy by Molmil
Racemic crystal structure of Rv1738 from Mycobacterium tuberculosis (Form-II)
Descriptor: GLYCEROL, protein DL-Rv1738, trifluoroacetic acid
Authors:Bunker, R.D, Mandal, K, Kent, S.B.H, Baker, E.N.
Deposit date:2014-10-21
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A functional role of Rv1738 in Mycobacterium tuberculosis persistence suggested by racemic protein crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WSP
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BU of 4wsp by Molmil
Racemic crystal structure of Rv1738 from Mycobacterium tuberculosis (Form-I)
Descriptor: CHLORIDE ION, protein DL-Rv1738
Authors:Bunker, R.D, Mandal, K, Kent, S.B.H, Baker, E.N.
Deposit date:2014-10-28
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A functional role of Rv1738 in Mycobacterium tuberculosis persistence suggested by racemic protein crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
1B3A
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BU of 1b3a by Molmil
TOTAL CHEMICAL SYNTHESIS AND HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE POTENT ANTI-HIV PROTEIN AOP-RANTES
Descriptor: PENTYLOXYAMINO-ACETALDEHYDE, PROTEIN (RANTES), SULFATE ION
Authors:Wilken, J, Hoover, D, Thompson, D.A, Barlow, P.N, Mcsparron, H, Picard, L, Wlodawer, A, Lubkowski, J, Kent, S.B.H.
Deposit date:1998-12-07
Release date:1999-04-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Total chemical synthesis and high-resolution crystal structure of the potent anti-HIV protein AOP-RANTES.
Chem.Biol., 6, 1999
1HYK
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BU of 1hyk by Molmil
AGOUTI-RELATED PROTEIN (87-132) (AC-AGRP(87-132))
Descriptor: AGOUTI RELATED PROTEIN
Authors:Bolin, K.A, Anderson, D.J, Trulson, J.A, Thompson, D.A, Wilken, J, Kent, S.B.H, Millhauser, G.L.
Deposit date:2001-01-19
Release date:2001-02-07
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:NMR structure of a minimized human agouti related protein prepared by total chemical synthesis.
FEBS Lett., 451, 1999
4OIK
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BU of 4oik by Molmil
(Quasi-)Racemic X-ray crystal structure of glycosylated chemokine Ser-CCL1.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1, CITRIC ACID, ...
Authors:Okamoto, R, Mandal, K, Sawaya, M.R, Kajihara, Y, Yeates, T.O, Kent, S.B.H.
Deposit date:2014-01-19
Release date:2014-05-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:(Quasi-)Racemic X-ray Structures of Glycosylated and Non-Glycosylated Forms of the Chemokine Ser-CCL1 Prepared by Total Chemical Synthesis.
Angew.Chem.Int.Ed.Engl., 53, 2014
4OIJ
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BU of 4oij by Molmil
X-ray crystal structure of racemic non-glycosylated chemokine Ser-CCL1
Descriptor: C-C motif chemokine 1, D-Ser-CCL1, SULFATE ION
Authors:Okamoto, R, Mandal, K, Sawaya, M.R, Kajihara, Y, Yeates, T.O, Kent, S.B.H.
Deposit date:2014-01-19
Release date:2014-05-07
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:(Quasi-)Racemic X-ray Structures of Glycosylated and Non-Glycosylated Forms of the Chemokine Ser-CCL1 Prepared by Total Chemical Synthesis.
Angew.Chem.Int.Ed.Engl., 53, 2014
4PHV
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BU of 4phv by Molmil
X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY
Descriptor: HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
Authors:Bone, R.
Deposit date:1991-10-04
Release date:1993-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry
J.Am.Chem.Soc., 113, 1991
5ENA
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BU of 5ena by Molmil
Xray crystal structure of isotope-labeled human insulin
Descriptor: Insulin chain A, Insulin chain B
Authors:Mandal, K, Dhayalan, B, Avital-Shmilovici, M, Tokmakoff, A, Kent, S.B.H.
Deposit date:2015-11-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystallization of Enantiomerically Pure Proteins from Quasi-Racemic Mixtures: Structure Determination by X-Ray Diffraction of Isotope-Labeled Ester Insulin and Human Insulin.
Chembiochem, 17, 2016
5EN9
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BU of 5en9 by Molmil
High resolution x-ray crystal structure of isotope-labeled ester-insulin
Descriptor: Insulin chain A, Insulin chain B
Authors:Mandal, K, Dhayalan, B, Avital-Shmilovici, M, Tokmakoff, A, Kent, S.B.H.
Deposit date:2015-11-09
Release date:2016-01-13
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallization of Enantiomerically Pure Proteins from Quasi-Racemic Mixtures: Structure Determination by X-Ray Diffraction of Isotope-Labeled Ester Insulin and Human Insulin.
Chembiochem, 17, 2016
3BOG
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BU of 3bog by Molmil
Snow Flea Antifreeze Protein Quasi-racemate
Descriptor: 6.5 kDa glycine-rich antifreeze protein, UNKNOWN LIGAND
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:2007-12-17
Release date:2008-09-23
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008
3BOI
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BU of 3boi by Molmil
Snow Flea Antifreeze Protein Racemate
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:2007-12-17
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008

 

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