Author results

7HVP
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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:2017-11-29
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
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
8HVP
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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:2017-11-29
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
2OQF
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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:2011-07-13
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
3DCK
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X-RAY STRUCTURE OF D25N CHEMICAL ANALOGUE OF HIV-1 PROTEASE COMPLEXED WITH KETOMETHYLENE ISOSTERE INHIBITOR
Descriptor:Chemical analogue HIV-1 protease, (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
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:2017-10-25
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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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:2017-10-25
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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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:2017-06-07
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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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:[Gly51;Aib51'] 'covalent dimer' 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:2009-06-23
Release date:2011-04-27
Last modified:2014-02-12
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
3I2L
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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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CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED [D25N]HIV-1 PROTEASE MOLECULE COMPLEXED WITH MVT-101 REDUCED ISOSTERE INHIBITOR
Descriptor:[D25N]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:2009-07-13
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
1HYK
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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:2011-07-13
Method:SOLUTION NMR
Cite:NMR structure of a minimized human agouti related protein prepared by total chemical synthesis.
FEBS Lett., 451, 1999
1B3A
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TOTAL CHEMICAL SYNTHESIS AND HIGH-RESOLUTION CRYSTAL STRUCTURE OF THE POTENT ANTI-HIV PROTEIN AOP-RANTES
Descriptor:PROTEIN (RANTES), SULFATE ION, PENTYLOXYAMINO-ACETALDEHYDE
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:2017-10-04
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
2E3W
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X-RAY STRUCTURE OF NATIVE RNASE A
Descriptor:Ribonuclease pancreatic, CHLORIDE ION
Authors:Boerema, D.J., Tereshko, V.A., Kent, S.B.H.
Deposit date:2006-11-30
Release date:2007-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Total synthesis by modern chemical ligation methods and high resolution (1.1 A) X-ray structure of ribonuclease A
Biopolymers, 90, 2008
2LET
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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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X-RAY STRUCTURE OF SYNTHETIC [D83A]RNASE A
Descriptor:Ribonuclease pancreatic, CHLORIDE ION, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Boerema, D.J., Tereshko, V.A., Kent, S.B.H.
Deposit date:2006-11-09
Release date:2007-10-30
Last modified:2011-07-13
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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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:2011-07-13
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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CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' HIV-1 PROTEASE MOLECULE
Descriptor:covalent dimer 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:2006-12-02
Release date:2006-12-19
Last modified:2017-10-18
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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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:2018-01-24
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
3BOG
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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:2018-01-24
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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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:2018-04-18
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
3E7R
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X-RAY CRYSTAL STRUCTURE OF RACEMIC PLECTASIN
Descriptor:Plectasin
Authors:Mandal, K., Pentelute, B.L., Tereshko, V., Kossiakoff, A.A., Kent, S.B.H.
Deposit date:2008-08-18
Release date:2009-06-09
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1 Å)
Cite:Racemic crystallography of synthetic protein enantiomers used to determine the X-ray structure of plectasin by direct methods
Protein Sci., 18, 2009
3E7U
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X-RAY CRYSTAL STRUCTURE OF L-PLECTASIN
Descriptor:Plectasin
Authors:Mandal, K., Pentelute, B.L., Tereshko, V., Kossiakoff, A.A., Kent, S.B.H.
Deposit date:2008-08-18
Release date:2009-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Racemic crystallography of synthetic protein enantiomers used to determine the X-ray structure of plectasin by direct methods
Protein Sci., 18, 2009
3E8Y
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XRAY STRUCTURE OF SCORPION TOXIN BMBKTX1
Descriptor:Potassium channel toxin alpha-KTx 19.1, CHLORIDE ION, SULFATE ION
Authors:Mandal, K., Pentelute, B.L., Tereshko, V., Kossiakoff, A.A., Kent, S.B.H.
Deposit date:2008-08-20
Release date:2009-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray structure of native scorpion toxin BmBKTx1 by racemic protein crystallography using direct methods.
J.Am.Chem.Soc., 131, 2009
3FSM
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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:2017-11-01
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
3HAU
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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
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