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3C6N
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Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
分子名称: (2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
著者Tan, X, Zheng, N, Hayashi, K.
登録日2008-02-04
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C6P
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Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
分子名称: (2S)-2-(1H-indol-3-yl)pentanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
著者Tan, X.
登録日2008-02-04
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5E69
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Glucocorticoid receptor DNA binding domain - IL8 NF-kB response element complex
分子名称: DNA (5'-D(*AP*TP*CP*GP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*CP*GP*AP*T)-3'), Glucocorticoid receptor, ...
著者Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A.
登録日2015-10-09
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements.
Nat Commun, 9, 2018
4MBE
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BU of 4mbe by Molmil
Sac3:Sus1:Cdc31:Nup1 complex
分子名称: CALCIUM ION, Cell division control protein 31, Nuclear mRNA export protein SAC3, ...
著者Jani, D, Meineke, B, Stewart, M.
登録日2013-08-19
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.612 Å)
主引用文献Structural basis for binding the TREX2 complex to nuclear pores, GAL1 localisation and mRNA export.
Nucleic Acids Res., 42, 2014
3BLQ
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Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 9, ...
著者Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
登録日2007-12-11
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
5YJB
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LSD1-CoREST in complex with 4-[5-(piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile
分子名称: 4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Niwa, H, Sato, S, Hashimoto, T, Matsuno, K, Umehara, T.
登録日2017-10-10
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Crystal Structure of LSD1 in Complex with 4-[5-(Piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile.
Molecules, 23, 2018
6NQM
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Crystal structure of Human LSD1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A
著者Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S.
登録日2019-01-21
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer.
Front Immunol, 10, 2019
6NR5
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Human LSD1 in complex with Phenelzine sulfate
分子名称: Lysine-specific histone demethylase 1A, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
著者Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S.
登録日2019-01-22
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer.
Front Immunol, 10, 2019
8JF5
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Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440
分子名称: 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Fukushima, H, Machida, T, Yamashita, S, Suzuki, T.
登録日2023-05-17
公開日2024-05-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献TAS1440, a histone H3 competitive LSD1 inhibitor, activates both TGF-beta and notch signaling pathways via INSM1 dissociation in neuroendocrine small cell lung cancer
To Be Published
6KGL
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LSD1-CoREST-S2101 N5 adduct model
分子名称: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S.
登録日2019-07-12
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
5ESC
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Crystal structure of Group A Streptococcus HupZ
分子名称: HupZ
著者Agniswamy, J, Weber, I.T.
登録日2015-11-16
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In vitro heme biotransformation by the HupZ enzyme from Group A streptococcus.
Biometals, 29, 2016
6KGN
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LSD1-CoREST-S2116 N5 adduct model
分子名称: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2019-07-12
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
8OEW
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Structure of the mammalian Pol II-Elongin complex, lacking the ELOA latch (composite structure, structure 2)
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1, ...
著者Chen, Y, Kokic, G, Dienemann, C, Dybkov, O, Urlaub, H, Cramer, P.
登録日2023-03-13
公開日2023-10-18
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of the transcribing RNA polymerase II-Elongin complex.
Nat.Struct.Mol.Biol., 30, 2023
8OEV
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Structure of the mammalian Pol II-SPT6-Elongin complex, lacking ELOA latch (composite structure, structure 3)
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1, ...
著者Chen, Y, Kokic, G, Dienemann, C, Dybkov, O, Urlaub, H, Cramer, P.
登録日2023-03-13
公開日2023-10-18
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structure of the transcribing RNA polymerase II-Elongin complex.
Nat.Struct.Mol.Biol., 30, 2023
6V8A
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Human CtBP1 (28-375) in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ...
著者Royer, W.E.
登録日2019-12-10
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
6V89
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Human CtBP1 (28-375) in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ...
著者Royer, W.E.
登録日2019-12-10
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
6NQU
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Human LSD1 in complex with GSK2879552
分子名称: Lysine-specific histone demethylase 1A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[(9~{S},11~{R})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
著者Tan, A.H.Y, Tu, W, McCuaig, R, Donovan, T, Tsimbalyuk, S, Forwood, J.K, Rao, S.
登録日2019-01-21
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Lysine-Specific Histone Demethylase 1A Regulates Macrophage Polarization and Checkpoint Molecules in the Tumor Microenvironment of Triple-Negative Breast Cancer.
Front Immunol, 10, 2019
6KGM
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BU of 6kgm by Molmil
LSD1-CoREST-S2116 five-membered ring adduct model
分子名称: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Niwa, H, Sato, S, Umehara, T.
登録日2019-07-12
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
6K3E
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LSD1/Co-Rest structure with an inhibitor
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-PCPA derivative, ...
著者Wang, J.
登録日2019-05-17
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献LSD1/Co-Rest structure with an inhibitor
To Be Published
6KGK
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LSD1-CoREST-S2101 five-membered ring adduct model
分子名称: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S.
登録日2019-07-12
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors.
Chemmedchem, 15, 2020
3PKI
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BU of 3pki by Molmil
Human SIRT6 crystal structure in complex with ADP ribose
分子名称: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
登録日2010-11-11
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
8DSZ
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PPARg bound to partial agonist H3B-487
分子名称: (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Larsen, N.A.
登録日2022-07-24
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8DSY
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PPARg bound to inverse agonist H3B-343
分子名称: Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid
著者Larsen, N.A.
登録日2022-07-24
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
3PKJ
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Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose
分子名称: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
登録日2010-11-11
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
2H7B
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Solution structure of the eTAFH domain from the human leukemia-associated fusion protein AML1-ETO
分子名称: Core-binding factor, ML1-ETO
著者Plevin, M.J, Zhang, J, Guo, C, Roeder, R.G, Ikura, M.
登録日2006-06-01
公開日2006-07-11
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The acute myeloid leukemia fusion protein AML1-ETO targets E proteins via a paired amphipathic helix-like TBP-associated factor homology domain
Proc.Natl.Acad.Sci.USA, 103, 2006

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