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PDB: 17 results

5TCZ
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BU of 5tcz by Molmil
NMR solution structure of engineered Protoxin-II analog
Descriptor: Beta/omega-theraphotoxin-Tp2a
Authors:Gibbs, A.C, Wickenden, A.D.
Deposit date:2016-09-16
Release date:2017-01-18
Method:SOLUTION NMR
Cite:Insensitivity to pain induced by a potent selective closed-state Nav1.7 inhibitor.
Sci Rep, 7, 2017
5K9R
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BU of 5k9r by Molmil
PDE10a with imidazopyrazine inhibitor
Descriptor: 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine, MAGNESIUM ION, ZINC ION, ...
Authors:Gibbs, A.G, Schubert, C.
Deposit date:2016-06-01
Release date:2016-08-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
2M4Z
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BU of 2m4z by Molmil
Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV (-TRTX-Hh2a).
Descriptor: Mu-theraphotoxin-Hh2a
Authors:Gibbs, A.
Deposit date:2013-02-12
Release date:2013-06-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV ( mu-TRTX-Hh2a).
J.Biol.Chem., 288, 2013
2M50
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BU of 2m50 by Molmil
Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV (-TRTX-Hh2a).
Descriptor: Mu-theraphotoxin-Hh2a
Authors:Gibbs, A, Minassian, N, Flinspach, M, Wickenden, A.
Deposit date:2013-02-12
Release date:2013-06-19
Last modified:2023-11-29
Method:SOLUTION NMR
Cite:Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV ( mu-TRTX-Hh2a).
J.Biol.Chem., 288, 2013
2M4X
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BU of 2m4x by Molmil
Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV (-TRTX-Hh2a).
Descriptor: Mu-theraphotoxin-Hh2a
Authors:Gibbs, A, Flinspach, M.
Deposit date:2013-02-11
Release date:2013-06-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV ( mu-TRTX-Hh2a).
J.Biol.Chem., 288, 2013
2N35
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BU of 2n35 by Molmil
Fusion to a Highly Stable Consensus Albumin Binding Domain Allows for Tunable Pharmacokinetics
Descriptor: Albumin binding protein
Authors:Gibbs, A.C, Jacobs, S.A.
Deposit date:2015-05-21
Release date:2015-09-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Fusion to a highly stable consensus albumin binding domain allows for tunable pharmacokinetics.
Protein Eng.Des.Sel., 28, 2015
2M9P
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BU of 2m9p by Molmil
NMR structure of an inhibitor bound dengue NS3 protease
Descriptor: Serine protease inhibitor, Serine protease subunit NS2B, Serine protease NS3
Authors:Gibbs, A, Tounge, B, Steele, R.
Deposit date:2013-06-18
Release date:2014-07-09
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:NMR structure of an inhibitor bound dengue NS3 protease provides new insights into the NS2B NS3 ligand interactions
To be Published
2M9Q
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BU of 2m9q by Molmil
NMR structure of an inhibitor bound dengue NS3 protease
Descriptor: Serine protease inhibitor, Serine protease subunit NS2B, Serine protease NS3
Authors:Gibbs, A, Steele, R, Tounge, B.
Deposit date:2013-06-18
Release date:2014-07-09
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:NMR structure of an inhibitor bound dengue NS3 protease provides new insights into the NS2B NS3 ligand interactions
To be Published
3RO4
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BU of 3ro4 by Molmil
X-ray Structure of Ketohexokinase in complex with an indazole compound derivative
Descriptor: 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole, Ketohexokinase, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2011-04-25
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3NBW
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BU of 3nbw by Molmil
X-ray structure of ketohexokinase in complex with a pyrazole compound
Descriptor: 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile, GLYCEROL, Ketohexokinase, ...
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC2
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BU of 3nc2 by Molmil
X-ray structure of ketohexokinase with a quinazoline
Descriptor: Ketohexokinase, SULFATE ION, quinazoline
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NCA
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BU of 3nca by Molmil
X-ray structure of ketohexokinase in complex with a thieno pyridinol compound
Descriptor: Ketohexokinase, SULFATE ION, thieno[3,2-b]pyridin-7-ol
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC9
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BU of 3nc9 by Molmil
X-ray structure of ketohexokinase complexed with an indazole compound
Descriptor: Ketohexokinase, N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NBV
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BU of 3nbv by Molmil
X-ray Structure of Ketohexokinase in complex with AMP-PNP and fructose
Descriptor: Ketohexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
1RY3
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BU of 1ry3 by Molmil
NMR Solution Structure of the Precursor for Carnobacteriocin B2, an Antimicrobial Peptide from Carnobacterium piscicola
Descriptor: Bacteriocin carnobacteriocin B2
Authors:Sprules, T, Kawulka, K.E, Gibbs, A.C, Wishart, D.S, Vederas, J.C.
Deposit date:2003-12-19
Release date:2004-05-04
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR solution structure of the precursor for carnobacteriocin B2, an antimicrobial peptide from Carnobacterium piscicola.
Eur.J.Biochem., 271, 2004
1CW6
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BU of 1cw6 by Molmil
REFINED SOLUTION STRUCTURE OF LEUCOCIN A
Descriptor: TYPE IIA BACTERIOCIN LEUCOCIN A
Authors:Wang, Y, Henz, M.E, Gallagher, N.L.F, Chai, S, Yan, L.Z, Gibbs, A.C, Stiles, M.E, Wishart, D.S, Vederas, J.C.
Deposit date:1999-08-25
Release date:1999-09-08
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of carnobacteriocin B2 and implications for structure-activity relationships among type IIa bacteriocins from lactic acid bacteria.
Biochemistry, 38, 1999
1CW5
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BU of 1cw5 by Molmil
SOLUTION STRUCTURE OF CARNOBACTERIOCIN B2
Descriptor: TYPE IIA BACTERIOCIN CARNOBACTERIOCIN B2
Authors:Wang, Y, Henz, M.E, Gallagher, N.L.F, Chai, S, Yan, L.Z, Gibbs, A.C, Stiles, M.E, Wishart, D.S, Vederas, J.C.
Deposit date:1999-08-25
Release date:1999-09-07
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of carnobacteriocin B2 and implications for structure-activity relationships among type IIa bacteriocins from lactic acid bacteria.
Biochemistry, 38, 1999

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