2HAR
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![BU of 2har by Molmil](/molmil-images/mine/2har) | 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
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2HAS
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![BU of 2has by Molmil](/molmil-images/mine/2has) | 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
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2HB8
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![BU of 2hb8 by Molmil](/molmil-images/mine/2hb8) | 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
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2HBH
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![BU of 2hbh by Molmil](/molmil-images/mine/2hbh) | 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
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2HC4
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![BU of 2hc4 by Molmil](/molmil-images/mine/2hc4) | Crystal structure of the LBD of VDR of Danio rerio in complex with calcitriol | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SRC-1 from Nuclear receptor coactivator 1, Vitamin D receptor | Authors: | Ciesielski, F, Rochel, N, Moras, D. | Deposit date: | 2006-06-15 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation J.Steroid Biochem.Mol.Biol., 103, 2007
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2HCD
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![BU of 2hcd by Molmil](/molmil-images/mine/2hcd) | Crystal structure of the ligand binding domain of the Vitamin D nuclear receptor in complex with Gemini and a coactivator peptide | Descriptor: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | Authors: | Ciesielski, F, Rochel, N, Moras, D. | Deposit date: | 2006-06-16 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation J.Steroid Biochem.Mol.Biol., 103, 2007
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1JMM
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![BU of 1jmm by Molmil](/molmil-images/mine/1jmm) | Crystal structure of the V-region of Streptococcus mutans antigen I/II | Descriptor: | SODIUM ION, protein I/II V-region | Authors: | Troffer-Charlier, N, Ogier, J, Moras, D, Cavarelli, J. | Deposit date: | 2001-07-19 | Release date: | 2002-07-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the V-region of Streptococcus mutans Antigen I/II at 2.4 a Resolution Suggests a Sugar Preformed Binding Site J.Mol.Biol., 318, 2002
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2JNJ
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![BU of 2jnj by Molmil](/molmil-images/mine/2jnj) | Solution structure of the p8 TFIIH subunit | Descriptor: | TFIIH basal transcription factor complex TTD-A subunit | Authors: | Vitorino, M, Atkinson, R.A, Moras, D, Poterszman, A, Kieffer, B, Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2007-01-26 | Release date: | 2007-04-10 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution Structure and Self-association Properties of the p8 TFIIH Subunit Responsible for Trichothiodystrophy J.Mol.Biol., 368, 2007
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2HB7
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![BU of 2hb7 by Molmil](/molmil-images/mine/2hb7) | 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
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1IE8
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![BU of 1ie8 by Molmil](/molmil-images/mine/1ie8) | Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060 | Descriptor: | 5-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D3 RECEPTOR | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Mitschler, A, Moras, D. | Deposit date: | 2001-04-09 | Release date: | 2001-05-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands. Proc.Natl.Acad.Sci.USA, 98, 2001
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3A31
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![BU of 3a31 by Molmil](/molmil-images/mine/3a31) | Crystal structure of putative threonyl-tRNA synthetase ThrRS-1 from Aeropyrum pernix (selenomethionine derivative) | Descriptor: | Probable threonyl-tRNA synthetase 1, SULFATE ION, ZINC ION | Authors: | Shimizu, S, Juan, E.C.M, Miyashita, Y, Sato, Y, Hoque, M.M, Suzuki, K, Yogiashi, M, Tsunoda, M, Dock-Bregeon, A.-C, Moras, D, Sekiguchi, T, Takenaka, A. | Deposit date: | 2009-06-07 | Release date: | 2009-10-27 | Last modified: | 2013-11-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain J.Mol.Biol., 394, 2009
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3A3Z
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![BU of 3a3z by Molmil](/molmil-images/mine/3a3z) | Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277A(C23S) | Descriptor: | (1S,2S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | Authors: | Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2009-06-25 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3 J.Med.Chem., 53, 2010
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3A78
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![BU of 3a78 by Molmil](/molmil-images/mine/3a78) | Crystal structure of the human VDR ligand binding domain bound to the natural metabolite 1alpha,25-dihydroxy-3-epi-vitamin D3 | Descriptor: | (1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol, SULFATE ION, Vitamin D3 receptor | Authors: | Sato, Y, Sigueiro, R, Antony, P, Rochel, N, Moras, D. | Deposit date: | 2009-09-18 | Release date: | 2010-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of the activation of the human Vitamin D receptor by the natural metabolite 1alpha,25-dihydroxy-3-epi-vitamin D3 To be Published
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382D
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![BU of 382d by Molmil](/molmil-images/mine/382d) | |
383D
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![BU of 383d by Molmil](/molmil-images/mine/383d) | |
3A40
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![BU of 3a40 by Molmil](/molmil-images/mine/3a40) | Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277B(C23R) | Descriptor: | (1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | Authors: | Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2009-06-25 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3 J.Med.Chem., 53, 2010
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3B75
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![BU of 3b75 by Molmil](/molmil-images/mine/3b75) | Crystal Structure of Glycated Human Haemoglobin | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | Authors: | Saraswathi, N.T, Syakhovich, V.E, Bokut, S.B, Moras, D, Ruff, M. | Deposit date: | 2007-10-30 | Release date: | 2008-10-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The effect of hemoglobin glycosylation on diabete linked oxidative stress To be Published
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384D
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![BU of 384d by Molmil](/molmil-images/mine/384d) | |
3A9E
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![BU of 3a9e by Molmil](/molmil-images/mine/3a9e) | Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha heterodimer ligand binding domains | Descriptor: | (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid, 13-mer (LXXLL motif) from Nuclear receptor coactivator 2, RETINOIC ACID, ... | Authors: | Sato, Y, Duclaud, S, Peluso-Iltis, C, Poussin, P, Moras, D, Rochel, N, Structural Proteomics in Europe (SPINE) | Deposit date: | 2009-10-24 | Release date: | 2010-10-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Phantom Effect of the Rexinoid LG100754: structural and functional insights Plos One, 5, 2010
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3A32
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![BU of 3a32 by Molmil](/molmil-images/mine/3a32) | Crystal structure of putative threonyl-tRNA synthetase ThrRS-1 from Aeropyrum pernix | Descriptor: | Probable threonyl-tRNA synthetase 1, SULFATE ION, ZINC ION | Authors: | Shimizu, S, Juan, E.C.M, Miyashita, Y, Sato, Y, Hoque, M.M, Suzuki, K, Yogiashi, M, Tsunoda, M, Dock-Bregeon, A.-C, Moras, D, Sekiguchi, T, Takenaka, A. | Deposit date: | 2009-06-07 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain J.Mol.Biol., 394, 2009
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1S9Q
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![BU of 1s9q by Molmil](/molmil-images/mine/1s9q) | crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in complex with 4-hydroxytamoxifen | Descriptor: | 4-HYDROXYTAMOXIFEN, CHOLIC ACID, Estrogen-related receptor gamma | Authors: | Greschik, H, Flaig, R, Renaud, J.P, Moras, D. | Deposit date: | 2004-02-05 | Release date: | 2004-06-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity. J.Biol.Chem., 279, 2004
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1R20
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![BU of 1r20 by Molmil](/molmil-images/mine/1r20) | Crystal structure of the ligand-binding domains of the heterodimer EcR/USP bound to the synthetic agonist BYI06830 | Descriptor: | ECDYSONE RECEPTOR, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE, ... | Authors: | Billas, I.M.L, Iwema, T, Garnier, J.M, Mitschler, A, Rochel, N, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 2003-09-25 | Release date: | 2003-11-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural adaptability in the ligand-binding pocket of the ecdysone hormone receptor. Nature, 426, 2003
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1QKT
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![BU of 1qkt by Molmil](/molmil-images/mine/1qkt) | MUTANT ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL | Descriptor: | ESTRADIOL, ESTRADIOL RECEPTOR | Authors: | Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D. | Deposit date: | 1999-08-05 | Release date: | 2000-08-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of a Mutant Heralpha Ligand- Binding Domain Reveals Key Structural Features for the Mechanism of Partial Agonism J.Biol.Chem., 276, 2001
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1QKU
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![BU of 1qku by Molmil](/molmil-images/mine/1qku) | WILD TYPE ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL | Descriptor: | ESTRADIOL, ESTRADIOL RECEPTOR | Authors: | Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D. | Deposit date: | 1999-08-05 | Release date: | 2000-08-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a mutant hERalpha ligand-binding domain reveals key structural features for the mechanism of partial agonism. J. Biol. Chem., 276, 2001
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1S19
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![BU of 1s19 by Molmil](/molmil-images/mine/1s19) | Crystal structure of VDR ligand binding domain complexed to calcipotriol. | Descriptor: | CALCIPOTRIOL, Vitamin D3 receptor | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Moras, D. | Deposit date: | 2004-01-06 | Release date: | 2004-04-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification. J.Med.Chem., 47, 2004
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