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1V29
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CRYSTAL STRUCTURE OF NITRILE HYDRATASE FROM A THERMOPHILE BACILLUS SMITHII
Descriptor:nitrile hydratase a chain, nitrile hydratase b chain, COBALT (II) ION
Authors:Hourai, S., Miki, M., Takashima, Y., Mitsuda, S., Yanagi, K.
Deposit date:2003-10-09
Release date:2004-10-09
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of nitrile hydratase from a thermophilic Bacillus smithii
Biochem.Biophys.Res.Commun., 312, 2003
2HAM
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CRYSTAL STRUCTURE OF VDR LBD COMPLEXED TO 2ALPHA-PROPYL-CALCITRIOL
Descriptor:Vitamin D3 receptor, 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3
Authors:Hourai, S., Rochel, N., Moras, D.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
2HAR
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CRYSTAL STRUCTURE OF VDR LBD IN COMPLEX WITH 2 ALPHA-(3-HYDROXY-1-PROPOXY) CALCITRIOL
Descriptor:Vitamin D3 receptor, 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3
Authors:Hourai, S., Rochel, N., Moras, D.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
2HAS
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CRYSTAL STRUCTURE OF VDR LBD IN COMPLEX WITH 2ALPHA-(1-PROPOXY) CALCITRIOL
Descriptor:Vitamin D3 receptor, 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3
Authors:Hourai, S., Rochel, N., Moras, D.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
2HB7
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CRYSTAL STRUCTURE OF VDR LBD IN COMPLEX WITH 2ALPHA(3-HYDROXY-1-PROPYL) CALCITRIOL
Descriptor:Vitamin D3 receptor, 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3
Authors:Hourai, S., Rochel, N., Moras, D.
Deposit date:2006-06-14
Release date:2006-08-29
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
2HB8
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CRYSTAL STRUCTURE OF VDR LBD IN COMPLEX WITH 2ALPHA-METHYL CALCITRIOL
Descriptor:Vitamin D3 receptor, 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3
Authors:Hourai, S., Rochel, N., Moras, D.
Deposit date:2006-06-14
Release date:2006-08-29
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
2HBH
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CRYSTAL STRUCTURE OF VITAMIN D NUCLEAR RECEPTOR LIGAND BINDING DOMAIN BOUND TO A LOCKED SIDE-CHAIN ANALOG OF CALCITRIOL AND SRC-1 PEPTIDE
Descriptor:Vitamin D receptor, SRC-1 from Nuclear receptor coactivator 1, 1,3-CYCLOHEXANEDIOL, ...
Authors:Rochel, N., Hourai, S., Moras, D.
Deposit date:2006-06-14
Release date:2007-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the vitamin D nuclear receptor ligand binding domain in complex with a locked side chain analog of calcitriol
Arch.Biochem.Biophys., 460, 2007
3CS4
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STRUCTURE-BASED DESIGN OF A SUPERAGONIST LIGAND FOR THE VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor, (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol
Authors:Hourai, S., Rodriguez, L.C., Antony, P., Reina-San-Martin, B., Ciesielski, F., Magnier, B.C., Schoonjans, K., Mourino, A., Rochel, N., Moras, D.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
3CS6
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STRUCTURE-BASED DESIGN OF A SUPERAGONIST LIGAND FOR THE VITAMIN D NUCLEAR RECEPTOR
Descriptor:Vitamin D3 receptor, (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
Authors:Hourai, S., Rodriguez, L.C., Antony, P., Reina-San-Martin, B., Ciesielski, P., Magnier, B.C., Schoonjans, K., Mourino, A., Rochel, N., Moras, D.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
3M7R
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CRYSTAL STRUCTURE OF VDR H305Q MUTANT
Descriptor:Vitamin D3 receptor, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
Authors:Rochel, N., Hourai, S., Moras, D., Structural Proteomics in Europe (SPINE)
Deposit date:2010-03-17
Release date:2010-05-05
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of hereditary vitamin D-resistant rickets--associated mutant H305Q of vitamin D nuclear receptor bound to its natural ligand
J.Steroid Biochem.Mol.Biol., 121, 2010
3ANS
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HUMAN SOLUBLE EPOXIDE HYDROLASE IN COMPLEX WITH A SYNTHETIC INHIBITOR
Descriptor:Epoxide hydrolase 2, 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
Authors:Chiyo, N., Ishii, T., Hourai, S., Yanagi, K.
Deposit date:2010-09-08
Release date:2011-01-19
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
3ANT
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HUMAN SOLUBLE EPOXIDE HYDROLASE IN COMPLEX WITH A SYNTHETIC INHIBITOR
Descriptor:Epoxide hydrolase 2, 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide
Authors:Chiyo, N., Ishii, T., Hourai, S., Yanagi, K.
Deposit date:2010-09-08
Release date:2011-01-19
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011