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1V29
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BU of 1v29 by Molmil
Crystal structure of Nitrile hydratase from a thermophile Bacillus smithii
Descriptor: COBALT (II) ION, nitrile hydratase a chain, nitrile hydratase b chain
Authors:Hourai, S, Miki, M, Takashima, Y, Mitsuda, S, Yanagi, K.
Deposit date:2003-10-09
Release date:2004-10-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of nitrile hydratase from a thermophilic Bacillus smithii
Biochem.Biophys.Res.Commun., 312, 2003
3CS4
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BU of 3cs4 by Molmil
Structure-based design of a superagonist ligand for the vitamin D nuclear receptor
Descriptor: (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, Vitamin D3 receptor
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:2024-02-21
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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BU of 3cs6 by Molmil
Structure-based design of a superagonist ligand for the vitamin D nuclear receptor
Descriptor: (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, Vitamin D3 receptor
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:2024-02-21
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
2HAS
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BU of 2has by Molmil
Crystal structure of VDR LBD in complex with 2alpha-(1-propoxy) calcitriol
Descriptor: 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2023-10-25
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
2HB8
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BU of 2hb8 by Molmil
Crystal structure of VDR LBD in complex with 2alpha-methyl calcitriol
Descriptor: 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-14
Release date:2006-08-29
Last modified:2023-10-25
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
2HAR
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BU of 2har by Molmil
Crystal structure of VDR LBD in complex with 2 alpha-(3-hydroxy-1-propoxy) calcitriol
Descriptor: 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2023-10-25
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
2HAM
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BU of 2ham by Molmil
Crystal structure of VDR LBD complexed to 2alpha-propyl-calcitriol
Descriptor: 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2023-10-25
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
2HB7
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BU of 2hb7 by Molmil
Crystal structure of VDR LBD in complex with 2alpha(3-hydroxy-1-propyl) calcitriol
Descriptor: 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-14
Release date:2006-08-29
Last modified:2023-10-25
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
3M7R
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BU of 3m7r by Molmil
Crystal structure of VDR H305Q mutant
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Vitamin D3 receptor
Authors:Rochel, N, Hourai, S, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2010-03-17
Release date:2010-05-05
Last modified:2023-11-01
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
2HBH
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BU of 2hbh by Molmil
Crystal structure of Vitamin D nuclear receptor ligand binding domain bound to a locked side-chain analog of calcitriol and SRC-1 peptide
Descriptor: 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z), ...
Authors:Rochel, N, Hourai, S, Moras, D.
Deposit date:2006-06-14
Release date:2007-05-01
Last modified:2023-10-25
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
3ANT
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BU of 3ant by Molmil
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
Descriptor: 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Epoxide hydrolase 2
Authors:Chiyo, N, Ishii, T, Hourai, S, Yanagi, K.
Deposit date:2010-09-08
Release date:2011-01-19
Last modified:2023-11-01
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
3ANS
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BU of 3ans by Molmil
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
Descriptor: 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide, Epoxide hydrolase 2
Authors:Chiyo, N, Ishii, T, Hourai, S, Yanagi, K.
Deposit date:2010-09-08
Release date:2011-01-19
Last modified:2023-11-01
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

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