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3S8L
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BU of 3s8l by Molmil
Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area
Descriptor: CHLORIDE ION, GLYCEROL, Growth factor receptor-bound protein 2, ...
Authors:Clements, J.H, Stephen, F.M.
Deposit date:2011-05-29
Release date:2011-11-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
3S8O
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BU of 3s8o by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, SODIUM ION, ...
Authors:Clements, J.H, Stephen, F.M.
Deposit date:2011-05-29
Release date:2011-11-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
4DG5
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BU of 4dg5 by Molmil
Crystal structure of staphylococcal Phosphoglycerate kinase
Descriptor: Phosphoglycerate kinase
Authors:Roychowdhury, A, Mukherjee, S, Dutta, D, Das, A.K.
Deposit date:2012-01-25
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure based functional analysis of Staphylococcal Phosphoglycerate kinase
To be Published
4F95
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BU of 4f95 by Molmil
Crystal structure of human inosine triphosphate pyrophosphatase P32T variant
Descriptor: Inosine triphosphate pyrophosphatase
Authors:Simone, P.D, Pavlov, Y.I, Borgstahl, G.E.O.
Deposit date:2012-05-18
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The human ITPA polymorphic variant P32T is destabilized by the unpacking of the hydrophobic core.
J.Struct.Biol., 182, 2013
7N6K
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BU of 7n6k by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RALALLPLSR
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2021-06-08
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N6J
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BU of 7n6j by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RKQSTIALALLPLLFTPRR
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2021-06-08
Release date:2021-06-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N6L
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BU of 7n6l by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide EANQQKPLLGLFADG
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, GLYCEROL, ...
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2021-06-08
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
3UEF
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BU of 3uef by Molmil
Crystal structure of human Survivin bound to histone H3 (C2 space group).
Descriptor: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ...
Authors:Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
Deposit date:2011-10-30
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
5D3Z
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BU of 5d3z by Molmil
Crystal structure of the thioesterase domain of deoxyerythronolide B synthase in complex with a small phosphonate inhibitor
Descriptor: CALCIUM ION, Erythronolide synthase, modules 5 and 6, ...
Authors:Bergeret, F, Argyropoulos, P, Boddy, C.N, Schmeing, T.M.
Deposit date:2015-08-06
Release date:2015-12-09
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis.
Biochim.Biophys.Acta, 1860, 2015
3UED
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BU of 3ued by Molmil
Crystal structure of human Survivin bound to histone H3 phosphorylated on threonine-3 (C2 space group).
Descriptor: Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ZINC ION
Authors:Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
Deposit date:2011-10-30
Release date:2012-03-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
3UEE
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BU of 3uee by Molmil
Crystal structure of human Survivin K62A mutant bound to N-terminal histone H3
Descriptor: Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ZINC ION
Authors:Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
Deposit date:2011-10-30
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
5DOG
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BU of 5dog by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2015-09-11
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
7KQF
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BU of 7kqf by Molmil
The internal aldimine form of the wild-type Tryptophan Synthase from Salmonella in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.47 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-11-15
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The internal aldimine form of the wild-type Tryptophan Synthase from Salmonella in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.47 Angstrom resolution.
To be Published
4FNI
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BU of 4fni by Molmil
Crystal structure of IsdI-W66Y in complex with heme and cyanide
Descriptor: CYANIDE ION, Heme-degrading monooxygenase isdI, MAGNESIUM ION, ...
Authors:Ukpabi, G.N, Murphy, M.E.P.
Deposit date:2012-06-19
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inactivation of the heme degrading enzyme IsdI by an active site substitution that diminishes heme ruffling.
J.Biol.Chem., 287, 2012
5DMU
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BU of 5dmu by Molmil
Structure of the NHEJ polymerase from Methanocella paludicola
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NHEJ Polymerase, ...
Authors:Brissett, N.C, Bartlett, E.J, Doherty, A.J.
Deposit date:2015-09-09
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Molecular basis for DNA strand displacement by NHEJ repair polymerases.
Nucleic Acids Res., 44, 2016
3UVP
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BU of 3uvp by Molmil
Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone
Descriptor: Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside
Authors:Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors.
J.Med.Chem., 55, 2012
3UVR
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BU of 3uvr by Molmil
Human p38 MAP Kinase in Complex with KM064
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:

3V03
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BU of 3v03 by Molmil
Crystal structure of Bovine Serum Albumin
Descriptor: ACETATE ION, CALCIUM ION, Serum albumin
Authors:Majorek, K.A, Porebski, P.J, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-12-07
Release date:2012-01-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and immunologic characterization of bovine, horse, and rabbit serum albumins.
Mol.Immunol., 52, 2012
3UVQ
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BU of 3uvq by Molmil
Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative
Descriptor: Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside
Authors:Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-12-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
J.Med.Chem., 56, 2013
2JE2
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BU of 2je2 by Molmil
Cytochrome P460 from Nitrosomonas europaea - probable nonphysiological oxidized form
Descriptor: CYTOCHROME P460, HEME C, PHOSPHATE ION
Authors:Pearson, A.R, Elmore, B.O, Yang, C, Ferrara, J.D, Hooper, A.B, Wilmot, C.M.
Deposit date:2007-01-13
Release date:2007-07-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of Cytochrome P460 of Nitrosomonas Europaea Reveals a Novel Cytochrome Fold and Heme-Protein Cross-Link.
Biochemistry, 46, 2007
2JE3
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BU of 2je3 by Molmil
Cytochrome P460 from Nitrosomonas europaea - probable physiological form
Descriptor: CYTOCHROME P460, HEME C, PHOSPHATE ION
Authors:Pearson, A.R, Elmore, B.O, Yang, C, Ferrara, J.D, Hooper, A.B, Wilmot, C.M.
Deposit date:2007-01-13
Release date:2007-07-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of Cytochrome P460 of Nitrosomonas Europaea Reveals a Novel Cytochrome Fold and Heme-Protein Cross-Link.
Biochemistry, 46, 2007
3UEG
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BU of 3ueg by Molmil
Crystal structure of human Survivin K62A mutant
Descriptor: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, TETRAETHYLENE GLYCOL, ...
Authors:Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
Deposit date:2011-10-30
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
3UEI
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BU of 3uei by Molmil
Crystal structure of human Survivin E65A mutant
Descriptor: Baculoviral IAP repeat-containing protein 5, ZINC ION
Authors:Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
Deposit date:2011-10-30
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol Biol Cell, 23, 2012
3UEH
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BU of 3ueh by Molmil
Crystal structure of human Survivin H80A mutant
Descriptor: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, DI(HYDROXYETHYL)ETHER, ...
Authors:Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
Deposit date:2011-10-30
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol Biol Cell, 23, 2012
3V09
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BU of 3v09 by Molmil
Crystal structure of Rabbit Serum Albumin
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Majorek, K.A, Porebski, P.J, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-12-07
Release date:2012-01-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and immunologic characterization of bovine, horse, and rabbit serum albumins.
Mol.Immunol., 52, 2012

239149

数据于2025-07-23公开中

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