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8G8W
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BU of 8g8w by Molmil
Molecular mechanism of nucleotide inhibition of human uncoupling protein 1
分子名称: CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ...
著者Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S.
登録日2023-02-20
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of purine nucleotide inhibition of human uncoupling protein 1.
Sci Adv, 9, 2023
2AYR
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BU of 2ayr by Molmil
A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats
分子名称: 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL, Estrogen receptor
著者Hummel, C.W, Geiser, A.G, Bryant, H.U, Cohen, I.R, Dally, R.D, Fong, K.C, Frank, S.A, Hinklin, R, Jones, S.A, Lewis, G, McCann, D.J, Shepherd, T.A, Tian, H, Rudman, D.G, Wallace, O.B, Wang, Y, Dodge, J.A.
登録日2005-09-07
公開日2005-11-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats
J.Med.Chem., 48, 2005
2POG
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BU of 2pog by Molmil
Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold.
分子名称: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor
著者Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A.
登録日2007-04-26
公開日2007-09-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
5CUQ
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BU of 5cuq by Molmil
Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase
分子名称: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, Nonstructural protein NS5
著者Brecher, B, Chen, H, Li, Z, Banavali, N.K, Jones, S.A, Zhang, J, Kramer, L.D, Li, H.M.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Identification and Characterization of Novel Broad-Spectrum Inhibitors of the Flavivirus Methyltransferase.
Acs Infect Dis., 1, 2015
1NDE
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BU of 1nde by Molmil
Estrogen Receptor beta with Selective Triazine Modulator
分子名称: 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta
著者Henke, B.R, Consler, T.G, Go, N, Hale, R.L, Hohman, D.R, Jones, S.A, Lu, A.T, Moore, L.B, Moore, J.T, Orband-Miller, L.A, Robinett, R.G, Shearin, J, Spearing, P.K, Stewart, E.L, Turnbull, P.S, Weaver, S.L, Williams, S.P, Wisely, G.B, Lambert, M.H.
登録日2002-12-09
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta
J.Med.Chem., 45, 2002
4A5Q
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BU of 4a5q by Molmil
Crystal structure of the chitinase Chi1 fitted into the 3D structure of the Yersinia entomophaga toxin complex
分子名称: CHI1
著者Busby, J.N, Landsberg, M.J, Simpson, R.M, Jones, S.A, Hankamer, B, Hurst, M.R.H, Lott, J.S.
登録日2011-10-27
公開日2011-11-16
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (17 Å)
主引用文献Structural Analysis of Chi1 Chitinase from Yen-Tc: The Multisubunit Insecticidal Abc Toxin Complex of Yersinia Entomophaga.
J.Mol.Biol., 415, 2012
5K13
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BU of 5k13 by Molmil
Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist
分子名称: 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid, Retinoic acid receptor alpha
著者Wang, Y, Stout, S.L.
登録日2016-05-17
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of potent and selective retinoic acid receptor gamma (RAR gamma ) antagonists for the treatment of osteoarthritis pain using structure based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
3DCT
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BU of 3dct by Molmil
FXR with SRC1 and GW4064
分子名称: 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3DCU
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BU of 3dcu by Molmil
FXR with SRC1 and GSK8062
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
6OGD
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BU of 6ogd by Molmil
Cryo-EM structure of YenTcA in its prepore state
分子名称: Chitinase 2, Toxin subunit YenA1, Toxin subunit YenA2
著者Piper, S.J, Brillault, L, Box, J.K, Landsberg, M.J.
登録日2019-04-02
公開日2019-05-08
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structures of the pore-forming A subunit from the Yersinia entomophaga ABC toxin.
Nat Commun, 10, 2019
3OA5
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BU of 3oa5 by Molmil
The structure of chi1, a chitinase from Yersinia entomophaga
分子名称: Chi1, GLYCEROL, NONAETHYLENE GLYCOL
著者Busby, J.N, Lott, J.S, Hurst, M.R.H.
登録日2010-08-04
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural analysis of Chi1 Chitinase from Yen-Tc: the multisubunit insecticidal ABC toxin complex of Yersinia entomophaga
J.Mol.Biol., 415, 2012
1W4S
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BU of 1w4s by Molmil
Crystal structure of the proximal BAH domain of polybromo
分子名称: CHLORIDE ION, POLYBROMO 1 PROTEIN
著者Oliver, A.W, Roe, S.M, Pearl, L.H.
登録日2004-07-28
公開日2005-04-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the Proximal Bah Domain of the Polybromo Protein
Biochem.J., 389, 2005
2I0J
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BU of 2i0j by Molmil
Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia
分子名称: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor alpha
著者Wang, Y.
登録日2006-08-10
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Benzopyrans are selective estrogen receptor Beta agonists with novel activity in models of benign prostatic hyperplasia.
J.Med.Chem., 49, 2006
2I0G
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BU of 2i0g by Molmil
Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia
分子名称: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta
著者Wang, Y.
登録日2006-08-10
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Benzopyrans are selective estrogen receptor Beta agonists with novel activity in models of benign prostatic hyperplasia.
J.Med.Chem., 49, 2006
2IZO
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BU of 2izo by Molmil
Structure of an Archaeal PCNA1-PCNA2-FEN1 Complex
分子名称: DNA POLYMERASE SLIDING CLAMP B, DNA POLYMERASE SLIDING CLAMP C, FLAP STRUCTURE-SPECIFIC ENDONUCLEASE, ...
著者Dore, A.S, Kilkenny, M.L, Roe, S.M, Pearl, L.H.
登録日2006-07-25
公開日2006-09-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of an Archaeal PCNA1-PCNA2-Fen1 Complex: Elucidating PCNA Subunit and Client Enzyme Specificity.
Nucleic Acids Res., 34, 2006
5BQH
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BU of 5bqh by Molmil
Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain
分子名称: (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ...
著者Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
登録日2015-05-29
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5BQG
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Crystal Structure of mPGES-1 Bound to an Inhibitor
分子名称: 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
著者Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
登録日2015-05-29
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.436 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5BQI
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BU of 5bqi by Molmil
Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain
分子名称: (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ...
著者Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
登録日2015-05-29
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016

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