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4L31
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BU of 4l31 by Molmil
Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate
分子名称: GLYCEROL, SULFATE ION, Tankyrase-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-05
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4ZK5
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BU of 4zk5 by Molmil
MAP4K4 in complex with inhibitor GNE-495
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2015-04-29
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis.
Acs Med.Chem.Lett., 6, 2015
4PXW
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BU of 4pxw by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L)
分子名称: Protein VPRBP, UNKNOWN ATOM OR ION
著者Xu, C, Tempel, W, He, H, Li, Y, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-03-25
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of human DCAF1 WD40 repeats (Q1250L)
TO BE PUBLISHED
4KZU
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BU of 4kzu by Molmil
Crystal structure of human tankyrase 2 in complex with 4' -bromo flavone
分子名称: 2-(4-bromophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-30
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L0Y
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BU of 4l0y by Molmil
Crystal structure of Runx1 and Ets1 bound to TCR alpha promoter (crystal form 1)
分子名称: 5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3', 5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3', Protein C-ets-1, ...
著者Tahirov, T.H.
登録日2013-06-01
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of Ets1 activation by Runx1.
Leukemia, 28, 2014
4L18
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BU of 4l18 by Molmil
Crystal structure of Runx1 and Ets1 bound to TCR alpha promoter (crystal form 3)
分子名称: 5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3', 5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3', GLYCEROL, ...
著者Tahirov, T.H.
登録日2013-06-02
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of Ets1 activation by Runx1.
Leukemia, 28, 2014
2RQR
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BU of 2rqr by Molmil
The solution structure of human DOCK2 SH3 domain - ELMO1 peptide chimera complex
分子名称: Engulfment and cell motility protein 1,Dedicator of cytokinesis protein 2
著者Yokoyama, S, Tochio, N, Koshiba, S, Kigawa, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-10-21
公開日2010-10-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms.
Proc.Natl.Acad.Sci.USA, 109, 2012
4L32
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BU of 4l32 by Molmil
Tankyrase 2 in complex with 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
分子名称: 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-05
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L09
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BU of 4l09 by Molmil
Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-4H-chromen-2-yl)benzoic acid
分子名称: 4-(4-oxo-4H-chromen-2-yl)benzoic acid, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-31
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4ZTD
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BU of 4ztd by Molmil
Crystal Structure of Human PCNA in complex with a TRAIP peptide
分子名称: ALA-GLY-ALA-GLY-ALA, ALA-PHE-GLN-ALA-LYS-LEU-ASP-THR-PHE-LEU-TRP-SER, Proliferating cell nuclear antigen
著者Montoya, G, Mortuza, G.B, Blanco, F.J, Ibanez de Opakua, A.
登録日2015-05-14
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献TRAIP is a PCNA-binding ubiquitin ligase that protects genome stability after replication stress.
J.Cell Biol., 212, 2016
7A05
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BU of 7a05 by Molmil
NMR structure of D3-D4 domains of Vibrio vulnificus ribosomal protein S1
分子名称: 30S ribosomal protein S1
著者Qureshi, N.S, Matzel, T, Cetiner, E.C, Schnieders, S, Jonker, H.R.A, Schwalbe, H, Fuertig, B.
登録日2020-08-06
公開日2021-06-23
最終更新日2024-01-17
実験手法SOLUTION NMR
主引用文献NMR structure of the Vibrio vulnificus ribosomal protein S1 domains D3 and D4 provides insights into molecular recognition of single-stranded RNAs.
Nucleic Acids Res., 49, 2021
5A52
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BU of 5a52 by Molmil
The crystal structure of Arabidopsis thaliana CAR1 in complex with one calcium ion
分子名称: CALCIUM ION, CALCIUM-DEPENDENT LIPID-BINDING DOMAIN-CONTAINING PROTEIN, GLYCEROL, ...
著者Fernandez, D, Marquez, J.A.
登録日2015-06-16
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
4QGC
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BU of 4qgc by Molmil
crystal structure of PKM2-K422R mutant
分子名称: GLYCEROL, POTASSIUM ION, Pyruvate kinase PKM, ...
著者Wang, P, Sun, C, Zhu, T, Xu, Y.
登録日2014-05-22
公開日2015-02-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.296 Å)
主引用文献Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
3FDL
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BU of 3fdl by Molmil
Bim BH3 peptide in complex with Bcl-xL
分子名称: Apoptosis regulator Bcl-X, Bcl-2-like protein 11
著者Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M.
登録日2008-11-26
公開日2009-03-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献High-Resolution Structural Characterization of a Helical alpha/beta-Peptide Foldamer Bound to the Anti-Apoptotic Protein Bcl-x(L)
Angew.Chem.Int.Ed.Engl., 48, 2009
4PZ1
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BU of 4pz1 by Molmil
Crystal structure of a sHIP (UniProt Id: Q99XU0) mutant from Streptococcus pyogenes
分子名称: CALCIUM ION, CHLORIDE ION, sHIP
著者Wisniewska, M, Happonen, L, Frick, I.-M, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M.
登録日2014-03-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Functional and structural properties of a novel protein and virulence factor (Protein sHIP) in Streptococcus pyogenes.
J.Biol.Chem., 289, 2014
5ADS
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BU of 5ads by Molmil
Crystal structure of human tankyrase 2 in complex with OD39
分子名称: BICARBONATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-08-24
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5ADR
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BU of 5adr by Molmil
Crystal structure of human tankyrase 2 in complex with OD38
分子名称: BICARBONATE ION, N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-08-24
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5ADT
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BU of 5adt by Molmil
Crystal structure of human tankyrase 2 in complex with OD73
分子名称: BICARBONATE ION, N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-08-24
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3FKN
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BU of 3fkn by Molmil
P38 kinase crystal structure in complex with RO7125
分子名称: 3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-17
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
2RFO
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BU of 2rfo by Molmil
Crystral Structure of the nucleoporin Nic96
分子名称: Nucleoporin NIC96
著者Schrader, N, Stelter, P, Flemming, D, Kunze, K, Hurt, E, Vetter, I.R.
登録日2007-10-01
公開日2008-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of the nic96 subcomplex organization in the nuclear pore channel.
Mol.Cell, 29, 2008
3FMH
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BU of 3fmh by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((R)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
7V7C
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BU of 7v7c by Molmil
CryoEM structure of DDB1-VprBP-Vpr-UNG2(94-313) complex
分子名称: DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, Protein Vpr, ...
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 (3.7 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
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
2RR9
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BU of 2rr9 by Molmil
The solution structure of the K63-Ub2:tUIMs complex
分子名称: Putative uncharacterized protein UIMC1, ubiquitin
著者Sekiyama, N, Jee, J, Isogai, S, Akagi, K, Huang, T, Ariyoshi, M, Tochio, H, Shirakawa, M.
登録日2010-06-16
公開日2011-07-06
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献The solution structure of the K63-Ub2:tUIMs complex
To be Published
3FLN
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BU of 3fln by Molmil
P38 kinase crystal structure in complex with R1487
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published

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