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6NWS
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BU of 6nws by Molmil
RORgamma Ligand Binding Domain
分子名称: 2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide, Nuclear receptor ROR-gamma
著者Strutzenberg, T.S, Park, H.J, Griffin, P.R.
登録日2019-02-07
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
8EZT
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BU of 8ezt by Molmil
Crystal structure of HipB(Lp) from Legionella pneumophila
分子名称: CHLORIDE ION, HipB(Lp)
著者Stogios, P.J, Skarina, T, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-11-01
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of HipB(Lp) from Legionella pneumophila
To Be Published
5IJN
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BU of 5ijn by Molmil
Composite structure of the inner ring of the human nuclear pore complex (32 copies of Nup205)
分子名称: NUCLEAR PORE COMPLEX PROTEIN NUP155, NUCLEAR PORE COMPLEX PROTEIN NUP205, NUCLEAR PORE COMPLEX PROTEIN NUP54, ...
著者Kosinski, J, Mosalaganti, S, von Appen, A, Beck, M.
登録日2016-03-02
公開日2016-04-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (21.4 Å)
主引用文献Molecular architecture of the inner ring scaffold of the human nuclear pore complex.
Science, 352, 2016
4XMN
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BU of 4xmn by Molmil
Structure of the yeast coat nucleoporin complex, space group P212121
分子名称: Antibody 87 heavy chain, Antibody 87 light chain, Nucleoporin NUP120, ...
著者Stuwe, T, Correia, A.R, Lin, D.H, Paduch, M, Lu, V.T, Kossiakoff, A.A, Hoelz, A.
登録日2015-01-14
公開日2015-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (7.6 Å)
主引用文献Nuclear pores. Architecture of the nuclear pore complex coat.
Science, 347, 2015
6ANU
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BU of 6anu by Molmil
Cryo-EM structure of F-actin complexed with the beta-III-spectrin actin-binding domain
分子名称: Actin, cytoplasmic 1, Spectrin beta chain, ...
著者Wang, F, Orlova, A, Avery, A.W, Hays, T.S, Egelman, E.H.
登録日2017-08-14
公開日2017-11-22
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Structural basis for high-affinity actin binding revealed by a beta-III-spectrin SCA5 missense mutation.
Nat Commun, 8, 2017
5ICK
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BU of 5ick by Molmil
A unique binding model of FXR LBD with feroline
分子名称: (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2
著者Lu, Y, Li, Y.
登録日2016-02-23
公開日2017-03-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
3VUB
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BU of 3vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM E. COLI
分子名称: CCDB, CHLORIDE ION
著者Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
登録日1998-04-17
公開日1998-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
6NWT
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BU of 6nwt by Molmil
RORgamma Ligand Binding Domain
分子名称: 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol, Nuclear receptor ROR-gamma
著者Strutzenberg, T.S, Park, H, Griffin, P.R.
登録日2019-02-07
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
6NX1
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BU of 6nx1 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL
分子名称: 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
著者Khan, J.A.
登録日2019-02-07
公開日2020-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
4XTA
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BU of 4xta by Molmil
MECHANISMS OF PPARgamma ACTIVATION BY NON-STEROIDAL ANTI-INFLAMMATORY DRUGS
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Webb, P, Polikarpov, I.
登録日2015-01-23
公開日2015-11-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
4Y2H
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BU of 4y2h by Molmil
Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and an aryl pyrazole inhibitor
分子名称: GLYCEROL, N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylethane-1,2-diamine, Protein arginine N-methyltransferase 6, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2015-02-09
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound.
Acs Med.Chem.Lett., 6, 2015
4XMM
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BU of 4xmm by Molmil
Structure of the yeast coat nucleoporin complex, space group C2
分子名称: Antibody 57 heavy chain, Antibody 57 light chain, Nucleoporin NUP120, ...
著者Stuwe, T, Correia, A.R, Lin, D.H, Paduch, M, Lu, V.T, Kossiakoff, A.A, Hoelz, A.
登録日2015-01-14
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (7.384 Å)
主引用文献Nuclear pores. Architecture of the nuclear pore complex coat.
Science, 347, 2015
6AQR
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BU of 6aqr by Molmil
SAGA DUB module Ubp8(C146A)/Sgf11/Sus1/Sgf73 bound to monoubiquitin
分子名称: Polyubiquitin-C, SAGA-associated factor 11, SAGA-associated factor 73, ...
著者Morrow, M.E, Morgan, M.T, Wolberger, C.
登録日2017-08-21
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Active site alanine mutations convert deubiquitinases into high-affinity ubiquitin-binding proteins.
EMBO Rep., 19, 2018
3IMQ
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BU of 3imq by Molmil
Crystal structure of the NusB101-S10(delta loop) complex
分子名称: 30S ribosomal protein S10, N utilization substance protein B, POTASSIUM ION
著者Luo, X, Wahl, M.C.
登録日2009-08-11
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fine tuning of the E. coli NusB:NusE complex affinity to BoxA RNA is required for processive antitermination.
Nucleic Acids Res., 38, 2010
1YKR
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BU of 1ykr by Molmil
Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor
分子名称: 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2
著者Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B.
登録日2005-01-18
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases
Bioorg.Med.Chem.Lett., 15, 2005
6AN1
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BU of 6an1 by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand AM-879
分子名称: 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid, Peroxisome proliferator-activated receptor gamma
著者Veras, H, Figueira, A.C, le Maire, A.
登録日2017-08-11
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.687 Å)
主引用文献Screening for PPAR Non-Agonist Ligands Followed by Characterization of a Hit, AM-879, with Additional No-Adipogenic and cdk5-Mediated Phosphorylation Inhibition Properties.
Front Endocrinol (Lausanne), 9, 2018
4XAO
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BU of 4xao by Molmil
Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-12-15
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
3I8W
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BU of 3i8w by Molmil
Crystal structure of a metallacarborane inhibitor bound to HIV protease
分子名称: CHLORIDE ION, COBALT BIS(1,2-DICARBOLLIDE), GLYCEROL, ...
著者Rezacova, P.
登録日2009-07-10
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of HIV Protease Inhibitors Based on Inorganic Polyhedral Metallacarboranes
J.Med.Chem., 52, 2009
5Q01
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BU of 5q01 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(4,5-dichloro-2-methylpyrazol-3-yl)oxyphenyl]sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-(4,5-dichloro-2-methylpyrazol-3-yl)oxyphenyl]sulfonylurea
To be published
7OBX
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BU of 7obx by Molmil
Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-23
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
1NPP
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BU of 1npp by Molmil
CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS NUSG IN P2(1)
分子名称: ISOPROPYL ALCOHOL, Transcription antitermination protein nusG
著者Knowlton, J.R, Bubunenko, M, Andrykovitch, M, Guo, W, Routzahn, K.M, Waugh, D.S, Court, D.L, Ji, X.
登録日2003-01-18
公開日2003-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Spring-Loaded State of NusG in Its Functional Cycle Is Suggested by X-ray Crystallography and Supported by Site-Directed Mutants
Biochemistry, 42, 2003
7OBY
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BU of 7oby by Molmil
Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide and stabilizer Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Centorrino, F, Andlovic, B, Ottmann, C.
登録日2021-04-24
公開日2022-05-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
5Q03
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BU of 5q03 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methylpropyl)thiophen-2-yl]sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methylpropyl)thiophene-2-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methylpropyl)thiophen-2-yl]sulfonylurea
To be published
5LJ3
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BU of 5lj3 by Molmil
Structure of the core of the yeast spliceosome immediately after branching
分子名称: CEF1, CLF1, CWC15, ...
著者Galej, W.P, Wilkinson, M.F, Fica, S.M, Oubridge, C, Newman, A.J, Nagai, K.
登録日2016-07-17
公開日2016-08-03
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of the spliceosome immediately after branching.
Nature, 537, 2016
6AVI
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BU of 6avi by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Nonanoic acid
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Kojetin, D.J.
登録日2017-09-02
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018

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