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5SXM
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WDR5 in complex with MLL Win motif peptidomimetic
分子名称: ACE-ALA-ARG-THR-GLU-VAL-TYR-NH2, WD repeat-containing protein 5
著者Alicea-Velazquez, N.L, Shinsky, S.A, Cosgrove, M.S.
登録日2016-08-09
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeted Disruption of the Interaction between WD-40 Repeat Protein 5 (WDR5) and Mixed Lineage Leukemia (MLL)/SET1 Family Proteins Specifically Inhibits MLL1 and SETd1A Methyltransferase Complexes.
J.Biol.Chem., 291, 2016
6S9W
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BU of 6s9w by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
3UP0
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BU of 3up0 by Molmil
Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid
分子名称: (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid, Nuclear receptor coactivator 2, aceDAF-12
著者Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E.
登録日2011-11-17
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes.
J.Biol.Chem., 287, 2012
6S9X
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BU of 6s9x by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
2E00
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BU of 2e00 by Molmil
Crystal structure of N392L mutant of yeast bleomycin hydrolase
分子名称: Cysteine proteinase 1
著者O'Farrell, P.A, Joshua-Tor, L.
登録日2006-10-01
公開日2007-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
3U85
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BU of 3u85 by Molmil
Crystal structure of human menin in complex with MLL1
分子名称: Histone-lysine N-methyltransferase 2A, Menin
著者Huang, J, Wan, B, Lei, M.
登録日2011-10-15
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Nature, 482, 2012
1FN7
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BU of 1fn7 by Molmil
COUPLING OF DAMAGE RECOGNITION AND CATALYSIS BY A HUMAN BASE-EXCISION DNA REPAIR PROTEIN
分子名称: 8-OXOGUANINE DNA GLYCOSYLASE 1, CALCIUM ION, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*CP*C)-3'), ...
著者Norman, D.P.G, Bruner, S.D, Verdine, G.L.
登録日2000-08-21
公開日2001-04-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Coupling of substrate recognition and catalysis by a human base-excision DNA repair protein.
J.Am.Chem.Soc., 123, 2001
2E02
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Crystal structure of H369L mutant of yeast bleomycin hydrolase
分子名称: Cysteine proteinase 1
著者O'Farrell, P.A, Joshua-Tor, L.
登録日2006-10-01
公開日2007-08-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
3WEE
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BU of 3wee by Molmil
Structure of the full-length yeast Arp7-Arp9 Heterodimer
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Actin-like protein ARP9, Actin-related protein 7, ...
著者Lobsiger, J, Richmond, T.J.
登録日2013-07-06
公開日2014-02-26
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the full-length yeast Arp7-Arp9 heterodimer.
Acta Crystallogr.,Sect.D, 70, 2014
2E03
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BU of 2e03 by Molmil
Crystal structure of NQ67E mutant of yeast bleomycin hydrolase
分子名称: Cysteine proteinase 1
著者O'Farrell, P.A, Joshua-Tor, L.
登録日2006-10-01
公開日2007-08-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
2DZZ
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BU of 2dzz by Molmil
Crystal structure of N392V mutant of yeast bleomycin hydrolase
分子名称: Cysteine proteinase 1
著者O'Farrell, P.A, Joshua-Tor, L.
登録日2006-09-30
公開日2007-08-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
3U88
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BU of 3u88 by Molmil
Crystal structure of human menin in complex with MLL1 and LEDGF
分子名称: (4beta,8alpha,9R)-6'-methoxy-10,11-dihydrocinchonan-9-ol, CHOLIC ACID, GLYOXYLIC ACID, ...
著者Huang, J, Wan, B, Lei, M.
登録日2011-10-16
公開日2012-02-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Nature, 482, 2012
2JUL
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BU of 2jul by Molmil
NMR Structure of DREAM
分子名称: CALCIUM ION, Calsenilin
著者Ames, J.
登録日2007-08-30
公開日2008-04-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR structure of DREAM: Implications for Ca(2+)-dependent DNA binding and protein dimerization.
Biochemistry, 47, 2008
1Z91
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BU of 1z91 by Molmil
x-ray crystal structure of apo-OhrRC15S in reduced form: MarR family protein
分子名称: Organic hydroperoxide resistance transcriptional regulator
著者Hong, M, Fuangthong, M, Helmann, J.D, Brennan, R.G.
登録日2005-03-31
公開日2005-10-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of an OhrR-ohrA Operator Complex Reveals the DNA Binding Mechanism of the MarR Family.
Mol.Cell, 20, 2005
2DZY
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BU of 2dzy by Molmil
Crystal structure of N392A mutant of yeast bleomycin hydrolase
分子名称: Cysteine proteinase 1
著者O'Farrell, P.A, Joshua-Tor, L.
登録日2006-09-30
公開日2007-08-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
2E01
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BU of 2e01 by Molmil
Crystal structure of H369A mutant of yeast bleomycin hydrolase
分子名称: Cysteine proteinase 1
著者O'Farrell, P.A, Joshua-Tor, L.
登録日2006-10-01
公開日2007-08-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
2ERK
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BU of 2erk by Molmil
PHOSPHORYLATED MAP KINASE ERK2
分子名称: EXTRACELLULAR SIGNAL-REGULATED KINASE 2
著者Canagarajah, B.J, Goldsmith, E.J.
登録日1997-06-26
公開日1998-07-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation mechanism of the MAP kinase ERK2 by dual phosphorylation.
Cell(Cambridge,Mass.), 90, 1997
3BTV
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BU of 3btv by Molmil
Crystal structure of the super-repressor mutant of Gal80p from Saccharomyces cerevisiae; Gal80(S0)-[G301R]
分子名称: Galactose/lactose metabolism regulatory protein GAL80
著者Kumar, P.R, Joshua-Tor, L.
登録日2007-12-31
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NADP regulates the yeast GAL induction system.
Science, 319, 2008
5YD8
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BU of 5yd8 by Molmil
Crystal structure of human PCNA in complex with APIM of human ZRANB3
分子名称: Proliferating cell nuclear antigen, ZRANB3
著者Hashimoto, H, Tagata, R.
登録日2017-09-12
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of proliferating cell nuclear antigen (PCNA) bound to an APIM peptide reveals the universality of PCNA interaction.
Acta Crystallogr.,Sect.F, 74, 2018
4IEM
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BU of 4iem by Molmil
Human apurinic/apyrimidinic endonuclease (APE1) with product DNA and Mg2+
分子名称: DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*C)-3'), DNA (5'-D(P*(3DR)P*GP*AP*TP*CP*G)-3'), ...
著者Tsutakawa, S.E, Mol, C.D, Arvai, A.S, Tainer, J.A.
登録日2012-12-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3936 Å)
主引用文献Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes.
J.Biol.Chem., 288, 2013
5YCO
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BU of 5yco by Molmil
Complex structure of PCNA with UHRF2
分子名称: E3 ubiquitin-protein ligase UHRF2, GLYCEROL, Proliferating cell nuclear antigen, ...
著者Wu, M, Chen, W, Hang, T, Wang, C, Zhang, X, Zang, J.
登録日2017-09-07
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structure insights into the molecular mechanism of the interaction between UHRF2 and PCNA.
Biochem. Biophys. Res. Commun., 494, 2017
1EBM
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BU of 1ebm by Molmil
CRYSTAL STRUCTURE OF THE HUMAN 8-OXOGUANINE GLYCOSYLASE (HOGG1) BOUND TO A SUBSTRATE OLIGONUCLEOTIDE
分子名称: 8-OXOGUANINE DNA GLYCOSYLASE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3'), ...
著者Bruner, S.D, Norman, D.P, Verdine, G.L.
登録日2000-01-24
公開日2000-03-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for recognition and repair of the endogenous mutagen 8-oxoguanine in DNA.
Nature, 403, 2000
5NGU
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Human Erk2 with an Erk1/2 inhibitor
分子名称: 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
登録日2017-03-20
公開日2017-04-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
5NHH
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Human Erk2 with an Erk1/2 inhibitor
分子名称: 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
登録日2017-03-21
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
5NHO
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Human Erk2 with an Erk1/2 inhibitor
分子名称: (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION
著者Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M.
登録日2017-03-22
公開日2017-04-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017

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