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3P1R
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BU of 3p1r by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide
Descriptor: 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ...
Authors:Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C.
Deposit date:2010-09-30
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
2X6U
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BU of 2x6u by Molmil
Crystal structure of human TBX5 in the DNA-free form
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, MAGNESIUM ION, T-BOX TRANSCRIPTION FACTOR TBX5
Authors:Stirnimann, C.U, Mueller, C.W.
Deposit date:2010-02-22
Release date:2010-04-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Tbx5-DNA Recognition: The T-Box Domain in its DNA-Bound and -Unbound Form.
J.Mol.Biol., 400, 2010
3OXA
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BU of 3oxa by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida
Descriptor: Steroid Delta-isomerase
Authors:Sigala, P.A, Fenn, T.D, Herschlag, D.
Deposit date:2010-09-21
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3OLW
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BU of 3olw by Molmil
Structural and functional effects of substitution at position T+1 in CheY: CheYA88T-BeF3-Mn complex
Descriptor: BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, Chemotaxis protein CheY, ...
Authors:Immormino, R.M, Bourret, R.B.
Deposit date:2010-08-26
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation.
Biochemistry, 55, 2016
3OLX
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BU of 3olx by Molmil
Structural and functional effects of substitution at position T+1 in CheY: CheYA88S-BeF3-Mn complex
Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ...
Authors:Immormino, R.M, Bourret, R.B.
Deposit date:2010-08-26
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation.
Biochemistry, 55, 2016
3OPV
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BU of 3opv by Molmil
Crystal structure of E. Coli purine nucleoside phosphorylase Arg24Ala mutant
Descriptor: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
Authors:Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
Deposit date:2010-09-02
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011
3OWU
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BU of 3owu by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Sigala, P.A, Fenn, T.D, Herschlag, D.
Deposit date:2010-09-20
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3HLI
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BU of 3hli by Molmil
diisopropyl fluorophosphatase (DFPase), active site mutants
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Chen, J.C.-H, Blum, M.-M.
Deposit date:2009-05-27
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversed enantioselectivity of diisopropyl fluorophosphatase against organophosphorus nerve agents by rational design
J.Am.Chem.Soc., 131, 2009
3HLH
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BU of 3hlh by Molmil
Diisopropyl fluorophosphatase (DFPase), active site mutants
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Chen, J.C.-H, Blum, M.-M.
Deposit date:2009-05-27
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Reversed enantioselectivity of diisopropyl fluorophosphatase against organophosphorus nerve agents by rational design
J.Am.Chem.Soc., 131, 2009
3OX9
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BU of 3ox9 by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida
Descriptor: Steroid Delta-isomerase
Authors:Sigala, P.A, Fenn, T.D, Herschlag, D.
Deposit date:2010-09-21
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3HKW
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BU of 3hkw by Molmil
HCV NS5B genotype 1a in complex with 1,5 benzodiazepine inhibitor 6
Descriptor: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, GLYCEROL, NS5B RNA-dependent RNA polymerase, ...
Authors:Nyanguile, O, De Bondt, H.L.
Deposit date:2009-05-26
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
3P5A
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BU of 3p5a by Molmil
Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2010-10-08
Release date:2011-10-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Dithiocarbamates strongly inhibit carbonic anhydrases and show antiglaucoma action in vivo
J.Med.Chem., 55, 2012
3P1P
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BU of 3p1p by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide
Descriptor: 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ...
Authors:Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C.
Deposit date:2010-09-30
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
2V8F
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BU of 2v8f by Molmil
Mouse Profilin IIa in complex with a double repeat from the FH1 domain of mDia1
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ...
Authors:Kursula, P, Kursula, I, Downer, J, Witke, W, Wilmanns, M.
Deposit date:2007-08-07
Release date:2007-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp.
J.Mol.Biol., 375, 2008
3P1Q
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BU of 3p1q by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 Peptide and stabilizer fusicoccin A
Descriptor: 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ...
Authors:Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C.
Deposit date:2010-09-30
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
3OMU
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BU of 3omu by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a thienopyrimidine derivative
Descriptor: 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, Heat shock protein 83
Authors:Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2010-08-27
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
3OWY
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BU of 3owy by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M105C-CN from P. putida with Bound Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Sigala, P.A, Fenn, T.D, Herschlag, D.
Deposit date:2010-09-20
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
3P1O
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BU of 3p1o by Molmil
Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilisator Fusicoccin A
Descriptor: 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ...
Authors:Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C.
Deposit date:2010-09-30
Release date:2011-10-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
2W3N
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BU of 2w3n by Molmil
Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans
Descriptor: ACETATE ION, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C.
Deposit date:2008-11-13
Release date:2008-12-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans.
J. Mol. Biol., 385, 2009
2W6G
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BU of 2w6g by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 3.
Descriptor: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
Authors:Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
Deposit date:2008-12-18
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (6 Å)
Cite:Improving Diffraction by Humidity Control: A Novel Device Compatible with X-Ray Beamlines.
Acta Crystallogr.,Sect.D, 65, 2009
3KFO
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BU of 3kfo by Molmil
Crystal structure of the C-terminal domain from the nuclear pore complex component NUP133 from Saccharomyces cerevisiae
Descriptor: GLYCEROL, Nucleoporin NUP133
Authors:Sampathkumar, P, Bonanno, J.B, Miller, S, Bain, K, Dickey, M, Gheyi, T, Almo, S.C, Rout, M, Sali, A, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-27
Release date:2010-01-26
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the C-terminal domain of Saccharomyces cerevisiae Nup133, a component of the nuclear pore complex.
Proteins, 79, 2011
2W5U
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BU of 2w5u by Molmil
Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin, [2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
Authors:Cremades, N, Perez-Dorado, I, Hermoso, J.A, Martinez-Julvez, M, Sancho, J.
Deposit date:2008-12-12
Release date:2009-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of Specific Flavodoxin Inhibitors as Potential Therapeutic Agents Against Helicobacter Pylori Infection.
Acs Chem.Biol., 4, 2009
2W6H
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BU of 2w6h by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4A.
Descriptor: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
Authors:Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
Deposit date:2008-12-18
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (5 Å)
Cite:Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
3HZS
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BU of 3hzs by Molmil
S. aureus monofunctional glycosyltransferase (MtgA)in complex with moenomycin
Descriptor: MOENOMYCIN, Monofunctional glycosyltransferase, PHOSPHATE ION
Authors:Heaslet, H, Miller, A.A, Shaw, B, Mistry, A.
Deposit date:2009-06-24
Release date:2009-07-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of the active site of S. aureus monofunctional glycosyltransferase (Mtg) by site-directed mutation and structural analysis of the protein complexed with moenomycin
J.Struct.Biol., 167, 2009
2WM4
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BU of 2wm4 by Molmil
X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP124 in complex with phytanic acid
Descriptor: (3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R.
Deposit date:2009-06-30
Release date:2009-10-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009

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