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5L9T
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BU of 5l9t by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with E2 UBE2S poised for polyubiquitination where UBE2S, APC2, and APC11 are modeled into low resolution density
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
登録日2016-06-11
公開日2016-10-26
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
2LXT
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BU of 2lxt by Molmil
Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core
分子名称: CREB-binding protein, Cyclic AMP-responsive element-binding protein 1, Histone-lysine N-methyltransferase MLL
著者Bruschweiler, S, Schanda, P, Konrat, R, Tollinger, M.
登録日2012-08-31
公開日2013-06-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Allosteric communication in the KIX domain proceeds through dynamic repacking of the hydrophobic core.
Acs Chem.Biol., 8, 2013
6S4N
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BU of 6s4n by Molmil
LXRbeta ligand binding domain in comlpex with small molecule inhibitors
分子名称: 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid, Oxysterols receptor LXR-beta, SULFATE ION
著者Sandmark, J, Jansson, A.
登録日2019-06-28
公開日2019-11-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands.
Commun Biol, 2, 2019
7V7B
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BU of 7v7b by Molmil
CryoEM structure of DDB1-VprBP complex in ARM-up conformation
分子名称: DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1
著者Wang, D, Xu, J, Liu, Q, Xiang, Y.
登録日2021-08-21
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into the HIV-1 Vpr mediated ubiquitination through the Cullin-RING E3 ubiquitin ligase
To Be Published
5LCW
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BU of 5lcw by Molmil
Cryo-EM structure of the Anaphase-promoting complex/Cyclosome, in complex with the Mitotic checkpoint complex (APC/C-MCC) at 4.2 angstrom resolution
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Alfieri, C, Chang, L, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
登録日2016-06-22
公開日2016-08-10
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Molecular basis of APC/C regulation by the spindle assembly checkpoint.
Nature, 536, 2016
6S4U
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BU of 6s4u by Molmil
LXRbeta ligand binding domain in comlpex with small molecule inhibitors
分子名称: 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide, Oxysterols receptor LXR-beta
著者Sandmark, J, Jansson, A.
登録日2019-06-28
公開日2019-11-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands.
Commun Biol, 2, 2019
7SAN
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BU of 7san by Molmil
Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
分子名称: ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
著者Guddat, L.W, Keough, D.T.
登録日2021-09-22
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58155513 Å)
主引用文献Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
5LGT
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BU of 5lgt by Molmil
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15
分子名称: 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
著者Mattevi, A, Ciossani, G.
登録日2016-07-08
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
2MKN
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BU of 2mkn by Molmil
Structural Characterization of Interactions between the Double-Stranded RNA-Binding Zinc Finger Protein JAZ and dsRNA
分子名称: RNA (5'-R(*GP*CP*CP*GP*UP*GP*GP*UP*CP*UP*GP*GP*UP*GP*GP*CP*CP*GP*G)-3'), RNA (5'-R(P*CP*CP*GP*GP*CP*CP*AP*CP*CP*AP*GP*AP*CP*CP*AP*CP*GP*GP*C)-3'), ZINC ION, ...
著者Wright, P, Dyson, J, Burge, R, Martinez-Yamout, M.
登録日2014-02-10
公開日2014-03-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Characterization of Interactions between the Double-Stranded RNA-Binding Zinc Finger Protein JAZ and Nucleic Acids.
Biochemistry, 53, 2014
5LHG
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BU of 5lhg by Molmil
Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
分子名称: 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Cecatiello, V, Pasqualato, S.
登録日2016-07-11
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
5LT0
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BU of 5lt0 by Molmil
nucleotide-free kinesin-1 motor domain, P212121 crystal form
分子名称: ACETATE ION, Kinesin-like protein, STRONTIUM ION, ...
著者Cao, L, Gigant, B.
登録日2016-09-06
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural switch of nucleotide-free kinesin.
Sci Rep, 7, 2017
4HB2
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BU of 4hb2 by Molmil
Crystal structure of CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
2MKD
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BU of 2mkd by Molmil
Human JAZ ZF3 Residues 168-227
分子名称: ZINC ION, Zinc finger protein 346
著者Wright, P, Dyson, J, Burge, R, Martinez-Yamout, M.
登録日2014-02-05
公開日2014-03-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Characterization of Interactions between the Double-Stranded RNA-Binding Zinc Finger Protein JAZ and Nucleic Acids.
Biochemistry, 53, 2014
7S7B
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BU of 7s7b by Molmil
Human Nuclear exosome targeting (NEXT) complex homodimer bound to RNA (substrate 1)
分子名称: Exosome RNA helicase MTR4, RNA (46-MER), RNA-binding protein 7, ...
著者Puno, M.R, Lima, C.D.
登録日2021-09-15
公開日2022-06-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.06 Å)
主引用文献Structural basis for RNA surveillance by the human nuclear exosome targeting (NEXT) complex.
Cell, 185, 2022
7S7C
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BU of 7s7c by Molmil
Human Nuclear Exosome Targeting (NEXT) complex bound to RNA (substrate 2)
分子名称: Exosome RNA helicase MTR4, RNA (30-MER), RNA-binding protein 7, ...
著者Puno, M.R, Lima, C.D.
登録日2021-09-15
公開日2022-06-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Structural basis for RNA surveillance by the human nuclear exosome targeting (NEXT) complex.
Cell, 185, 2022
4HAU
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BU of 4hau by Molmil
Crystal structure of CRM1 inhibitor Ratjadone A in complex with CRM1-Ran-RanBP1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
2MMC
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BU of 2mmc by Molmil
Nucleotide-free human ran gtpase
分子名称: GTP-binding nuclear protein Ran
著者Bacot-Davis, V.R, Palmenberg, A.C.
登録日2014-03-13
公開日2014-10-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Structure of Ran GTPase Determines C-terminal Tail Conformational Dynamics.
To be Published
5LJ1
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BU of 5lj1 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one, Bromodomain-containing protein 4
著者Chung, C, Bamborough, P, Demont, E.
登録日2016-07-17
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Chemical Probe for the ATAD2 Bromodomain.
Angew.Chem.Int.Ed.Engl., 55, 2016
6RIH
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BU of 6rih by Molmil
Crystal structure of PHGDH in complex with compound 9
分子名称: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
著者Bader, G, Wolkerstorfer, B, Zoephel, A.
登録日2019-04-24
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
5LNC
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BU of 5lnc by Molmil
Structure of SPX domain of the yeast inorganic polyphophate polymerase Vtc4 crystallized by carrier-driven crystallization in fusion with the macro domain of human histone macroH2A1.1
分子名称: Vacuolar transporter chaperone 4,Core histone macro-H2A.1
著者Wild, R, Hothorn, M.
登録日2016-08-03
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献The macro domain as fusion tag for carrier-driven crystallization.
Protein Sci., 26, 2017
6XAU
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BU of 6xau by Molmil
Structure of the PR domain from PRDM3
分子名称: Histone-lysine N-methyltransferase MECOM
著者Loa, S, Mou, T.C, Sprang, S.R, Briknarova, K.
登録日2020-06-04
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure of the PR domain from PRDM3
To Be Published
6RJ2
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BU of 6rj2 by Molmil
Crystal structure of PHGDH in complex with compound 40
分子名称: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
著者Bader, G, Wolkerstorfer, B, Zoephel, A.
登録日2019-04-26
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
7RUI
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BU of 7rui by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
分子名称: Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
著者Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
登録日2021-08-17
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
To Be Published
7PCJ
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BU of 7pcj by Molmil
X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex
分子名称: 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid, ...
著者Vallade, M, Langlois d'Estaintot, B, Fischer, L, Buratto, J, Savko, M, Huc, I.
登録日2021-08-03
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with Cyclosporin A
To Be Published
7OZ0
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BU of 7oz0 by Molmil
Solution structure of the N-terminal domain of human telomeric Repeat-binding factor 2-interacting protein 1 (hRap1): implication for Rap1-TRF2 interaction in Human.
分子名称: Telomeric repeat-binding factor 2-interacting protein 1
著者Miron, S, LeDU, M.H, Gaullier, G, Zinn-justin, S, Cuniasse, P.
登録日2021-06-25
公開日2022-10-05
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal domain of human telomeric Repeat-binding factor 2-interacting protein 1 (hRap1): implication for Rap1-TRF2 interaction in Human.
To Be Published

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