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8G8W
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BU of 8g8w by Molmil
Molecular mechanism of nucleotide inhibition of human uncoupling protein 1
Descriptor: CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ...
Authors: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.
Deposit date:2023-02-20
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL, Estrogen receptor
Authors: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.
Deposit date:2005-09-07
Release date:2005-11-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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.
Descriptor: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor
Authors:Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A.
Deposit date:2007-04-26
Release date:2007-09-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, Nonstructural protein NS5
Authors:Brecher, B, Chen, H, Li, Z, Banavali, N.K, Jones, S.A, Zhang, J, Kramer, L.D, Li, H.M.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.696 Å)
Cite: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
Descriptor: 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta
Authors: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.
Deposit date:2002-12-09
Release date:2002-12-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: CHI1
Authors:Busby, J.N, Landsberg, M.J, Simpson, R.M, Jones, S.A, Hankamer, B, Hurst, M.R.H, Lott, J.S.
Deposit date:2011-10-27
Release date:2011-11-16
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (17 Å)
Cite:Structural Analysis of Chi1 Chitinase from Yen-Tc: The Multisubunit Insecticidal Abc Toxin Complex of Yersinia Entomophaga.
J.Mol.Biol., 415, 2012
6OGD
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BU of 6ogd by Molmil
Cryo-EM structure of YenTcA in its prepore state
Descriptor: Chitinase 2, Toxin subunit YenA1, Toxin subunit YenA2
Authors:Piper, S.J, Brillault, L, Box, J.K, Landsberg, M.J.
Deposit date:2019-04-02
Release date:2019-05-08
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structures of the pore-forming A subunit from the Yersinia entomophaga ABC toxin.
Nat Commun, 10, 2019
5K13
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BU of 5k13 by Molmil
Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist
Descriptor: 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid, Retinoic acid receptor alpha
Authors:Wang, Y, Stout, S.L.
Deposit date:2016-05-17
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 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
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2008-06-04
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 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
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2008-06-04
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3OA5
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BU of 3oa5 by Molmil
The structure of chi1, a chitinase from Yersinia entomophaga
Descriptor: Chi1, GLYCEROL, NONAETHYLENE GLYCOL
Authors:Busby, J.N, Lott, J.S, Hurst, M.R.H.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: CHLORIDE ION, POLYBROMO 1 PROTEIN
Authors:Oliver, A.W, Roe, S.M, Pearl, L.H.
Deposit date:2004-07-28
Release date:2005-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor alpha
Authors:Wang, Y.
Deposit date:2006-08-10
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta
Authors:Wang, Y.
Deposit date:2006-08-10
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: DNA POLYMERASE SLIDING CLAMP B, DNA POLYMERASE SLIDING CLAMP C, FLAP STRUCTURE-SPECIFIC ENDONUCLEASE, ...
Authors:Dore, A.S, Kilkenny, M.L, Roe, S.M, Pearl, L.H.
Deposit date:2006-07-25
Release date:2006-09-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ...
Authors:Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
Deposit date:2015-05-29
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5BQG
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BU of 5bqg by Molmil
Crystal Structure of mPGES-1 Bound to an Inhibitor
Descriptor: 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
Authors:Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
Deposit date:2015-05-29
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.436 Å)
Cite: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
Descriptor: (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, ...
Authors:Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
Deposit date:2015-05-29
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016

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