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4ZI1
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BU of 4zi1 by Molmil
HUMAN ESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH KB095285 AND CIA12 COACTIVATOR PEPTIDE
分子名称: 2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol, Estrogen receptor beta, Nuclear receptor coactivator 5
著者Kauppi, B, Bonn, T.
登録日2015-04-27
公開日2016-06-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HUMAN ESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH KB095285 AND CIA12 COACTIVATOR PEPTIDE
To Be Published
1XSM
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BU of 1xsm by Molmil
PROTEIN R2 OF RIBONUCLEOTIDE REDUCTASE FROM MOUSE
分子名称: FE (III) ION, RIBONUCLEOTIDE REDUCTASE R2
著者Kauppi, B, Nielsen, B.N, Ramaswamy, S, Kjoller-Larsen, I, Thelander, M, Thelander, L, Eklund, H.
登録日1996-07-03
公開日1997-01-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The three-dimensional structure of mammalian ribonucleotide reductase protein R2 reveals a more-accessible iron-radical site than Escherichia coli R2.
J.Mol.Biol., 262, 1996
1P93
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BU of 1p93 by Molmil
CRYSTAL STRUCTURE OF THE AGONIST FORM OF GLUCOCORTICOID RECEPTOR
分子名称: DEXAMETHASONE, Glucocorticoid receptor, Nuclear receptor coactivator 2
著者Kauppi, B, Jakob, C, Farnegardh, M, Yang, J, Ahola, H, Alarcon, M, Calles, K, Engstrom, O, Harlan, J, Muchmore, S, Ramqvist, A.-K, Thorell, S, Ohman, L, Greer, J, Gustafsson, J.-A, Carlstedt-Duke, J, Carlquist, M.
登録日2003-05-09
公開日2003-07-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Three-dimensional Structures of Antagonistic and Agonistic Forms of the Glucocorticoid Receptor Ligand-binding Domain: RU-486 INDUCES A TRANSCONFORMATION THAT LEADS TO ACTIVE ANTAGONISM.
J.Biol.Chem., 278, 2003
1NHZ
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BU of 1nhz by Molmil
Crystal Structure of the Antagonist Form of Glucocorticoid Receptor
分子名称: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, GLUCOCORTICOID RECEPTOR, HEXANE-1,6-DIOL
著者Kauppi, B, Jakob, C, Farnegardh, M, Yang, J, Ahola, H, Alarcon, M, Calles, K, Engstrom, O, Harlan, J, Muchmore, S, Ramqvist, A.-K, Thorell, S, Ohman, L, Greer, J, Gustafsson, J.-A, Carlstedt-Duke, J, Carlquist, M.
登録日2002-12-20
公開日2003-05-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Three-dimensional Structures of Antagonistic and Agonistic Forms of the Glucocorticoid Receptor Ligand-binding Domain: RU-486 INDUCES A TRANSCONFORMATION THAT LEADS TO ACTIVE ANTAGONISM.
J.Biol.Chem., 278, 2003
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
分子名称: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
分子名称: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
1NDO
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BU of 1ndo by Molmil
NAPHTHALENE 1,2-DIOXYGENASE
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, NAPHTHALENE 1,2-DIOXYGENASE
著者Ramaswamy, S, Kauppi, B, Carredano, E.
登録日1998-01-11
公開日1999-03-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of an aromatic-ring-hydroxylating dioxygenase-naphthalene 1,2-dioxygenase.
Structure, 6, 1998
1EG9
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BU of 1eg9 by Molmil
NAPHTHALENE 1,2-DIOXYGENASE WITH INDOLE BOUND IN THE ACTIVE SITE.
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, INDOLE, ...
著者Carredano, E, Karlsson, A, Kauppi, B, Choudhury, D, Parales, R.E, Parales, J.V, Lee, K, Gibson, D.T, Eklund, H, Ramaswamy, S.
登録日2000-02-15
公開日2000-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate binding site of naphthalene 1,2-dioxygenase: functional implications of indole binding.
J.Mol.Biol., 296, 2000
3KFC
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BU of 3kfc by Molmil
Complex Structure of LXR with an agonist
分子名称: 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline, Oxysterols receptor LXR-beta
著者Olland, A, Bernotas, R.C, Unwalla, R.
登録日2009-10-27
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists.
Bioorg.Med.Chem.Lett., 20, 2010
8FB1
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BU of 8fb1 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 6a ANDINDAZOLE ACID BOUND IN H12-POCKET
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)-4-fluorobenzene-1-sulfonamide, Nuclear receptor ROR-gamma
著者Vajdos, F.F.
登録日2022-11-29
公開日2023-03-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FAV
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BU of 8fav by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET
分子名称: 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, Nuclear receptor ROR-gamma, ...
著者Vajdos, F.F.
登録日2022-11-28
公開日2023-03-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
8FB2
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BU of 8fb2 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 8 ANDINDAZOLE ACID BOUND IN H12-POCKET
分子名称: (1R,15S)-16-(cyclopropylacetyl)-5-fluoro-20-methyl-9lambda~6~-thia-1,8,16-triazatricyclo[13.3.1.1~3,7~]icosa-3(20),4,6-triene-9,9-dione, 4-[1-(2,6-dichlorobenzoyl)-4-fluoro-1H-indazol-3-yl]benzoic acid, Nuclear receptor ROR-gamma
著者Vajdos, F.F.
登録日2022-11-29
公開日2023-03-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023

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件を2024-07-17に公開中

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