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3PXN
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Crystal structure of the Drosophila kinesin family member Kin10/NOD in complex with divalent manganese and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein Nod, MANGANESE (II) ION
著者Cochran, J.C, Zhao, Y.C, Wilcox, D.E, Kull, F.J.
登録日2010-12-10
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A metal switch for controlling the activity of molecular motor proteins.
Nat.Struct.Mol.Biol., 19, 2012
8B8Z
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BU of 8b8z by Molmil
Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound 7e)
分子名称: 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B90
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Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7d)
分子名称: 5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B8W
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Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a)
分子名称: 4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, GLYCEROL, Nuclear receptor corepressor 2, ...
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
8B91
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Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1)
分子名称: Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
著者Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J.
登録日2022-10-05
公開日2022-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists.
Bioorg.Med.Chem., 78, 2022
1S1X
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BU of 1s1x by Molmil
Crystal structure of V108I mutant HIV-1 reverse transcriptase in complex with nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
4JT6
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structure of mTORDeltaN-mLST8-PI-103 complex
分子名称: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, mLST8, mTOR
著者Pavletich, N.P, Yang, H.
登録日2013-03-22
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JSV
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BU of 4jsv by Molmil
mTOR kinase structure, mechanism and regulation.
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ...
著者Pavletich, N.P, Yang, H.
登録日2013-03-22
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
1PME
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BU of 1pme by Molmil
STRUCTURE OF PENTA MUTANT HUMAN ERK2 MAP KINASE COMPLEXED WITH A SPECIFIC INHIBITOR OF HUMAN P38 MAP KINASE
分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, ERK2, SULFATE ION
著者Xie, X.
登録日1998-06-08
公開日1999-06-08
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.
Protein Sci., 7, 1998
6GU3
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BU of 6gu3 by Molmil
CDK1/CyclinB/Cks2 in complex with AZD5438
分子名称: 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ...
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
1S1V
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BU of 1s1v by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651
分子名称: 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
8P0A
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BU of 8p0a by Molmil
Human Cohesin ATPase module
分子名称: 64-kDa C-terminal product, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Landwerlin, P, Durand, A, Diebold-Durand, M.-L, Romier, C.
登録日2023-05-10
公開日2024-09-11
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Human Cohesin ATPase module
To Be Published
1S1W
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BU of 1s1w by Molmil
Crystal structure of V106A mutant HIV-1 reverse transcriptase in complex with UC-781
分子名称: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1U
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BU of 1s1u by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with nevirapine
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, Reverse transcriptase
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
3P8O
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BU of 3p8o by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335
分子名称: HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide, ...
著者Lemke, C.T.
登録日2010-10-14
公開日2011-01-26
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335.
J.Biol.Chem., 286, 2011
6QUQ
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BU of 6quq by Molmil
Crystal structure of glutathionylated glycolytic glyceraldehyde-3- phosphate dehydrogenase from Arabidopsis thaliana (AtGAPC1)
分子名称: GLUTATHIONE, Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Trost, P.
登録日2019-02-28
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.993 Å)
主引用文献Glutathionylation primes soluble glyceraldehyde-3-phosphate dehydrogenase for late collapse into insoluble aggregates.
Proc.Natl.Acad.Sci.USA, 116, 2019
8BFF
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BU of 8bff by Molmil
Human PPARgamma in complex with MINCH bound to the AF-2 sub-pocket
分子名称: (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid, Peroxisome proliferator-activated receptor gamma
著者Useini, A, Straeter, N.
登録日2022-10-25
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of the activation of PPAR gamma by the plasticizer metabolites MEHP and MINCH.
Environ Int, 173, 2023
8BF1
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BU of 8bf1 by Molmil
High-resolution structure of unliganded PPAR gamma in complex with the peptide PGC-1 alpha
分子名称: Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Useini, A, Straeter, N.
登録日2022-10-23
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural basis of the activation of PPAR gamma by the plasticizer metabolites MEHP and MINCH.
Environ Int, 173, 2023
8BF2
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BU of 8bf2 by Molmil
Human PPARgamma in complex with MEHP bound to the AF-2 and omega sub-pockets
分子名称: 2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic acid, Peroxisome proliferator-activated receptor gamma
著者Useini, A, Straeter, N.
登録日2022-10-23
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural basis of the activation of PPAR gamma by the plasticizer metabolites MEHP and MINCH.
Environ Int, 173, 2023
6SQK
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BU of 6sqk by Molmil
Crystal structure of mouse PRMT6 with modified H7-4 peptide
分子名称: H4-7, Protein arginine N-methyltransferase 6
著者Bonnefond, L, Cavarelli, J.
登録日2019-09-04
公開日2020-09-30
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of mouse PRMT6 in complex with inhibitors
To Be Published
6SQC
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BU of 6sqc by Molmil
Crystal structure of complex between nuclear coactivator binding domain of CBP and [1040-1086]ACTR containing alpha-methylated Leu1055 and Leu1076
分子名称: 1,2-ETHANEDIOL, Maltose/maltodextrin-binding periplasmic protein,CREB-binding protein, Nuclear receptor coactivator 3, ...
著者Bauer, V, Schmidtgall, B, Gogl, G, Dolenc, j, Osz, J, Kostmann, C, Mitschler, A, Cousido-Siah, A, Rochel, N, Trave, G, Kieffer, B, Torbeev, V.
登録日2019-09-03
公開日2020-09-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Conformational editing of intrinsically disordered protein by alpha-methylation.
Chem Sci, 12, 2020
1V64
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Solution structure of the 3rd HMG box of mouse UBF1
分子名称: Nucleolar transcription factor 1
著者Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-11-27
公開日2004-05-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the 3rd HMG box of mouse UBF1
To be Published
7PZO
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BU of 7pzo by Molmil
mite allergen Der p 3 from Dermatophagoides pteronyssinus
分子名称: SULFATE ION, mite allergen Der p 3
著者Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Mikheeva, O.O, Kostromina, M.A, Lykoshin, D.D, Zayats, E.A, Zavriev, S.K, Esipov, R.S, Kuranova, I.P.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold.
J.Biomol.Struct.Dyn., 36, 2018
6SQH
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BU of 6sqh by Molmil
Crystal structure of mouse PRMT6 with partial C-terminal TEV cleavage site
分子名称: Protein arginine N-methyltransferase 6
著者Bonnefond, L, Cavarelli, J.
登録日2019-09-04
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structure of mouse PRMT6 in complex with inhibitors
To be published
3Q9E
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BU of 3q9e by Molmil
Crystal structure of H159A APAH complexed with acetylspermine
分子名称: Acetylpolyamine amidohydrolase, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, POTASSIUM ION, ...
著者Lombardi, P.M, Christianson, D.W.
登録日2011-01-07
公開日2011-03-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of prokaryotic polyamine deacetylase reveals evolutionary functional relationships with eukaryotic histone deacetylases .
Biochemistry, 50, 2011

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