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2OR2
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STRUCTURE OF THE W47A/W242A MUTANT OF BACTERIAL PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
Descriptor:1-phosphatidylinositol phosphodiesterase
Authors:Shao, C., Shi, X., Wehbi, H., Zambonelli, C., Head, J.F., Seaton, B.A., Roberts, M.F.
Deposit date:2007-02-01
Release date:2007-02-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Dimer structure of an interfacially impaired phosphatidylinositol-specific phospholipase C.
J.Biol.Chem., 282, 2007
2HYU
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HUMAN ANNEXIN A2 WITH HEPARIN TETRASACCHARIDE BOUND
Descriptor:Annexin A2, 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid, N,O6-DISULFO-GLUCOSAMINE, ...
Authors:Shao, C., Head, J.F., Seaton, B.A.
Deposit date:2006-08-07
Release date:2006-09-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2.
J.Biol.Chem., 281, 2006
2HYV
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HUMAN ANNEXIN A2 WITH HEPARIN HEXASACCHARIDE BOUND
Descriptor:Annexin A2, 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid, N,O6-DISULFO-GLUCOSAMINE, ...
Authors:Shao, C., Head, J.F., Seaton, B.A.
Deposit date:2006-08-07
Release date:2006-09-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystallographic analysis of calcium-dependent heparin binding to annexin A2.
J.Biol.Chem., 281, 2006
2HYW
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HUMAN ANNEXIN A2 WITH CALCIUM BOUND
Descriptor:Annexin A2, CALCIUM ION
Authors:Shao, C., Head, J.F., Seaton, B.A.
Deposit date:2006-08-07
Release date:2006-09-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2.
J.Biol.Chem., 281, 2006
3BN6
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CRYSTAL STRUCTURE OF THE C2 DOMAIN OF BOVINE LACTADHERIN AT 1.67 ANGSTROM RESOLUTION
Descriptor:Lactadherin
Authors:Shao, C., Novakovic, V.A., Head, J.F., Seaton, B.A., Gilbert, G.E.
Deposit date:2007-12-13
Release date:2007-12-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of lactadherin C2 domain at 1.7A resolution with mutational and computational analyses of its membrane-binding motif.
J.Biol.Chem., 283, 2008
5J6P
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CRYSTAL STRUCTURE OF MIS18(17-118) FROM SCHIZOSACCHAROMYCES POMBE
Descriptor:Kinetochore protein mis18, ZINC ION
Authors:Wang, C., Shao, C., Zhang, M., Zhang, X., Zang, J.
Deposit date:2016-04-05
Release date:2017-11-01
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Mis18(17-118) from Schizosaccharomyces pombe
To Be Published
4OKY
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CRYSTAL STRUCTURE OF PVURTS1I, A 5-HYDROXYMETHYLCYTOSINE DNA RESTRICTION ENDONUCLEASE
Descriptor:Restriction endonuclease PvuRts1 I
Authors:Wang, C.L., Shao, C., Zang, J.Y.
Deposit date:2014-01-23
Release date:2014-09-10
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the substrate selectivity of PvuRts1I, a 5-hydroxymethylcytosine DNA restriction endonuclease
Acta Crystallogr.,Sect.D, 70, 2014
3EA1
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CRYSTAL STRUCTURE OF THE Y247S/Y251S MUTANT OF PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM BACILLUS THURINGIENSIS
Descriptor:1-phosphatidylinositol phosphodiesterase, ZINC ION
Authors:Shi, X., Shao, C., Zhang, X., Zambonelli, C., Redfied, A.G., Head, J.F., Seaton, B.A., Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
3EA2
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CRYSTAL STRUCTURE OF THE MYO-INOSITOL BOUND Y247S/Y251S MUTANT OF PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM BACILLUS THURINGIENSIS
Descriptor:1-phosphatidylinositol phosphodiesterase, 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ZINC ION
Authors:Shi, X., Shao, C., Zhang, X., Zambonelli, C., Redfied, A.G., Head, J.F., Seaton, B.A., Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
3EA3
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CRYSTAL STRUCTURE OF THE Y246S/Y247S/Y248S/Y251S MUTANT OF PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM BACILLUS THURINGIENSIS
Descriptor:1-phosphatidylinositol phosphodiesterase, MANGANESE (II) ION
Authors:Shi, X., Shao, C., Zhang, X., Zambonelli, C., Redfied, A.G., Head, J.F., Seaton, B.A., Roberts, M.F.
Deposit date:2008-08-24
Release date:2009-04-14
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Modulation of Bacillus thuringiensis Phosphatidylinositol-specific Phospholipase C Activity by Mutations in the Putative Dimerization Interface.
J.Biol.Chem., 284, 2009
5CB3
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STRUCTURAL INSIGHTS INTO THE MECHANISM OF ESCHERICHIA COLI YMDB
Descriptor:O-acetyl-ADP-ribose deacetylase, ADENOSINE-5-DIPHOSPHORIBOSE
Authors:Zhang, W., Wang, C., Song, Y., Shao, C., Zhang, X., Zang, J.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2015-12-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
5CB5
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STRUCTURAL INSIGHTS INTO THE MECHANISM OF ESCHERICHIA COLI YMDB
Descriptor:O-acetyl-ADP-ribose deacetylase, ADENOSINE-5-DIPHOSPHORIBOSE, SULFATE ION, ...
Authors:Zhang, W., Wang, C., Song, Y., Shao, C., Zhang, X., Zang, J.
Deposit date:2015-06-30
Release date:2015-11-04
Last modified:2015-12-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
5CMS
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STRUCTURAL INSIGHTS INTO THE MECHANISM OF ESCHERICHIA COLI YMDB
Descriptor:O-acetyl-ADP-ribose deacetylase, ADENOSINE-5-DIPHOSPHORIBOSE, SULFATE ION
Authors:Zhang, W., Wang, C., Song, Y., Shao, C., Zhang, X., Zang, J.
Deposit date:2015-07-17
Release date:2015-11-04
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
5Q0I
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE PGC-1A PPAR GAMMA COACTIVATOR, 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0J
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, (2S)-N,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1H-benzimidazol-1-yl]acetamide
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0K
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0L
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, (2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1H-benzimidazol-1-yl}acetamide
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0M
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0N
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, 3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0O
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, CHLORIDE ION, ...
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0P
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0Q
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0R
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0S
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0T
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LIGAND BINDING TO FARNESOID-X-RECEPTOR
Descriptor:Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, 2-phenyl-N-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide
Authors:Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018