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4LFS
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BU of 4lfs by Molmil
High resolution x-ray structure of racemic ShK toxin
Descriptor: CHLORIDE ION, GLYCEROL, Potassium channel toxin ShK
Authors:Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
5HHC
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BU of 5hhc by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {RFX037 plus VEGF-A} Protein Complex in space group P21/n
Descriptor: D- Vascular endothelial growth factor-A, GLYCEROL, Vascular endothelial growth factor A
Authors:Uppalapati, M, Lee, D.J, Mandal, K, Kent, S.B.H, Sidhu, S.
Deposit date:2016-01-10
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent d-Protein Antagonist of VEGF-A is Nonimmunogenic, Metabolically Stable, and Longer-Circulating in Vivo.
Acs Chem.Biol., 11, 2016
5HHD
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BU of 5hhd by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {RFX037 plus VEGF-A} Protein Complex in space group P21
Descriptor: D-Peptide RFX037.D, D-Vascular endothelial growth factor, DI(HYDROXYETHYL)ETHER, ...
Authors:Uppalapati, M, LEE, D.J, Mandal, K, Kent, S.B.H, Sidhu, S.
Deposit date:2016-01-10
Release date:2016-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent d-Protein Antagonist of VEGF-A is Nonimmunogenic, Metabolically Stable, and Longer-Circulating in Vivo.
Acs Chem.Biol., 11, 2016
5I5C
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BU of 5i5c by Molmil
X-ray crystal structure of allo-Thr31-ShK
Descriptor: GLYCEROL, Kappa-stichotoxin-She3a, LITHIUM ION, ...
Authors:Dang, B, Kubota, T, Manda, K.l, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H.
Deposit date:2016-02-15
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
4GLN
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BU of 4gln by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {D-Protein Antagonist plus VEGF-A} Protein Complex in space group P21/n
Descriptor: D-RFX001, Vascular endothelial growth factor A
Authors:Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H.
Deposit date:2012-08-14
Release date:2012-09-05
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GLU
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BU of 4glu by Molmil
Crystal structure of the mirror image form of VEGF-A
Descriptor: ACETATE ION, D- Vascular endothelial growth factor-A, GLYCEROL, ...
Authors:Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H.
Deposit date:2012-08-14
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
5I5B
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BU of 5i5b by Molmil
quasi racemic structure of allo-Thr13-ShK and D-ShK
Descriptor: D-ShK, GLYCEROL, Kappa-stichotoxin-She3a, ...
Authors:Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H.
Deposit date:2016-02-15
Release date:2017-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
4GLS
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BU of 4gls by Molmil
Crystal Structure of Chemically Synthesized Heterochiral {D-Protein Antagonist plus VEGF-A} Protein Complex in space group P21
Descriptor: D- RFX001, D- Vascular endothelial growth factor-A, DI(HYDROXYETHYL)ETHER, ...
Authors:Mandal, K, Uppalapati, M, Ault-Riche, D, Kenney, J, Lowitz, J, Sidhu, S, Kent, S.B.H.
Deposit date:2012-08-14
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
5I5A
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BU of 5i5a by Molmil
quasi racemic structure of allo-Ile7-ShK and D-ShK
Descriptor: D-MALATE, D-ShK, GLYCEROL, ...
Authors:Dang, B, Kubota, T, Mandal, K, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H.
Deposit date:2016-02-14
Release date:2017-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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
4IUZ
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BU of 4iuz by Molmil
High resolution crystal structure of racemic ester insulin
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Insulin A chain, ...
Authors:Avital-Shmilovici, M, Mandal, K, Gates, Z.P, Phillips, N, Weiss, M.A, Kent, S.B.H.
Deposit date:2013-01-22
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fully Convergent Chemical Synthesis of Ester Insulin: Determination of the High Resolution X-ray Structure by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
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
2J9J
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BU of 2j9j by Molmil
Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor JG-365
Descriptor: ACETATE ION, GLYCEROL, INHIBITOR MOLECULE JG365, ...
Authors:Malito, E, Shen, Y, Johnson, E.C.B, Tang, W.J.
Deposit date:2006-11-11
Release date:2007-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Insights from Atomic-Resolution X-Ray Structures of Chemically Synthesized HIV-1 Protease in Complex with Inhibitors.
J.Mol.Biol., 373, 2007
2J9K
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BU of 2j9k by Molmil
Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor MVT-101
Descriptor: ACETATE ION, GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, ...
Authors:Malito, E, Shen, Y, Johnson, E.C.B, Tang, W.J.
Deposit date:2006-11-11
Release date:2007-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Insights from Atomic-Resolution X-Ray Structures of Chemically Synthesized HIV-1 Protease in Complex with Inhibitors.
J.Mol.Biol., 373, 2007
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
3E8Y
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BU of 3e8y by Molmil
Xray structure of scorpion toxin BmBKTx1
Descriptor: CHLORIDE ION, Potassium channel toxin alpha-KTx 19.1, 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
3E7R
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BU of 3e7r by Molmil
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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BU of 3e7u by Molmil
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:2023-08-30
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
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
3NGG
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BU of 3ngg by Molmil
X-ray Structure of Omwaprin
Descriptor: Omwaprin-a
Authors:Banigan, J.R, Mandal, K, Sawaya, M.R, Thammavongsa, V, Hendrickx, A.P.A, Schneewind, O, Yeates, T.O, Kent, S.B.H.
Deposit date:2010-06-11
Release date:2010-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Determination of the X-ray structure of the snake venom protein omwaprin by total chemical synthesis and racemic protein crystallography.
Protein Sci., 19, 2010
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
3ODV
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BU of 3odv by Molmil
X-ray structure of kaliotoxin by racemic protein crystallography
Descriptor: CITRIC ACID, Potassium channel toxin alpha-KTx 3.1, trifluoroacetic acid
Authors:Pentelute, B.L, Mandal, K, Gates, Z.P, Sawaya, M.R, Yeates, T.O, Kent, S.B.H.
Deposit date:2010-08-11
Release date:2010-10-20
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Total chemical synthesis and X-ray structure of kaliotoxin by racemic protein crystallography.
Chem.Commun.(Camb.), 46, 2010
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

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