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5ZO8
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BU of 5zo8 by Molmil
Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (P21 type)
分子名称: (2R)-2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yokoyama, H, Sato, K.
登録日2018-04-12
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors.
Acs Omega, 3, 2018
4PPP
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BU of 4ppp by Molmil
Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol
分子名称: 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W.
登録日2014-02-27
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.686 Å)
主引用文献Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
3GGR
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BU of 3ggr by Molmil
Crystal Structure of the Human Rad9-Hus1-Rad1 complex
分子名称: Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1
著者Xu, M, Bai, L, Hang, H.Y, Jiang, T.
登録日2009-03-02
公開日2009-06-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and functional implications of the human rad9-hus1-rad1 cell cycle checkpoint complex
J.Biol.Chem., 284, 2009
3GI3
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BU of 3gi3 by Molmil
Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase
分子名称: Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
著者Qian, K.C.
登録日2009-03-05
公開日2009-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4ZTH
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BU of 4zth by Molmil
Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ...
著者Grum-Tokars, V.L, Roy, S.M, Watterson, D.M.
登録日2015-05-14
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
2XRI
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BU of 2xri by Molmil
Crystal structure of human ERI1 exoribonuclease 3
分子名称: ERI1 EXORIBONUCLEASE 3, GLYCEROL, MAGNESIUM ION
著者Welin, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
登録日2010-09-15
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of Human Eri1 Exoribonuclease 3
To be Published
3D83
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BU of 3d83 by Molmil
Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide
著者Somers, D.O.
登録日2008-05-22
公開日2008-07-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes.
Bioorg.Med.Chem.Lett., 18, 2008
3DFR
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BU of 3dfr by Molmil
CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE
分子名称: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J.
登録日1982-06-25
公開日1982-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
J.Biol.Chem., 257, 1982
4N3R
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BU of 4n3r by Molmil
Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide)
分子名称: 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2013-10-07
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
7X0V
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BU of 7x0v by Molmil
cryo-EM structure of human TRiC-ADP-AlFx
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Cong, Y, Liu, C.X.
登録日2022-02-22
公開日2023-04-12
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
5YU2
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BU of 5yu2 by Molmil
Structure of Ribonuclease YabJ
分子名称: Translation initiation inhibitor homologue
著者Kim, H.J, Kwon, A.R, Lee, B.J.
登録日2017-11-20
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A novel chlorination-induced ribonuclease YabJ fromStaphylococcus aureus.
Biosci. Rep., 38, 2018
7X0S
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BU of 7x0s by Molmil
Human TRiC-tubulin-S3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Cong, Y, Liu, C.X.
登録日2022-02-22
公開日2023-04-12
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
4MSG
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BU of 4msg by Molmil
Crystal structure of tankyrase 1 with compound 22
分子名称: 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2013-09-18
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
5AAR
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BU of 5aar by Molmil
Structure of the ankyrin domain of an Arabidopsis Thaliana potassium channel
分子名称: MAGNESIUM ION, POTASSIUM CHANNEL AKT1
著者Chaves-Sanjuan, A, Sanchez-Barrena, M.J, Albert, A.
登録日2015-07-28
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Recognition and activation of the plant AKT1 potassium channel by the kinase CIPK23.
Plant Physiol., 2020
7X0A
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BU of 7x0a by Molmil
Cryo-EM structure of human TRiC-NPP state
分子名称: T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ...
著者Cong, Y, Liu, C.X.
登録日2022-02-21
公開日2023-04-12
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
5Z7I
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BU of 5z7i by Molmil
Caulobacter crescentus GcrA DNA-binding domain(DBD)in complex with unmethylated dsDNA
分子名称: (R,R)-2,3-BUTANEDIOL, Cell cycle regulatory protein GcrA, DNA (5'-D(*CP*CP*CP*TP*GP*AP*TP*TP*CP*GP*C*)-3'), ...
著者Wu, X, Zhang, Y.
登録日2018-01-29
公開日2018-03-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural insights into the unique mechanism of transcription activation by Caulobacter crescentus GcrA.
Nucleic Acids Res., 46, 2018
4QG8
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BU of 4qg8 by Molmil
crystal structure of PKM2-K305Q mutant
分子名称: GLYCEROL, MAGNESIUM ION, MALONATE ION, ...
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 (2.3 Å)
主引用文献Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
4PYH
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BU of 4pyh by Molmil
Phospho-glucan bound structure of starch phosphatase Starch EXcess4 reveals the mechanism for C6-specificty
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Meekins, D.A, Vander Kooi, C.W.
登録日2014-03-27
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Phosphoglucan-bound structure of starch phosphatase Starch Excess4 reveals the mechanism for C6 specificity.
Proc.Natl.Acad.Sci.USA, 111, 2014
5DAI
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BU of 5dai by Molmil
Proliferating cell nuclear antigen homolog 1 bound to FEN-1 peptide
分子名称: C-terminus of FEN-1 protein, DNA polymerase sliding clamp 1, SULFATE ION
著者Ladner, J.E, Altieri, A.S, Kelman, Z.
登録日2015-08-20
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A small protein inhibits proliferating cell nuclear antigen by breaking the DNA clamp.
Nucleic Acids Res., 44, 2016
5D1K
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BU of 5d1k by Molmil
Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, ...
著者Liang, Y.-H, Li, S, Weissman, A.M, Ji, X.
登録日2015-08-04
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B.
J.Biol.Chem., 290, 2015
3GC7
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BU of 3gc7 by Molmil
The structure of p38alpha in complex with a dihydroquinazolinone
分子名称: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 14
著者Scapin, G, Patel, S.B.
登録日2009-02-21
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
5ZO7
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BU of 5zo7 by Molmil
Kinesin spindle protein Eg5 in complex with STLC-type inhibitor PVEI0138
分子名称: (2R)-2-azanyl-3-[[2-(4-methoxyphenyl)-2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaenyl]sulfanyl]propanoic acid, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
著者Yokoyama, H, Sato, K.
登録日2018-04-12
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors.
Acs Omega, 3, 2018
3GGY
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BU of 3ggy by Molmil
Crystal Structure of S.cerevisiae Ist1 N-terminal domain
分子名称: Increased sodium tolerance protein 1
著者Xiao, J, Xu, Z.
登録日2009-03-02
公開日2009-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of Ist1 function and Ist1-Did2 interaction in the multivesicular body pathway and cytokinesis.
MOLECULAR BIOLOGY OF THE CELL, 20, 2009
1G27
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BU of 1g27 by Molmil
CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497
分子名称: 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE
著者Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G.
登録日2000-10-17
公開日2001-10-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
4TOS
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BU of 4tos by Molmil
Crystal structure of Tankyrase 1 with 355
分子名称: Tankyrase-1, ZINC ION, trans-N-benzyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexanecarboxamide
著者Chen, H, Zhang, X, Lum, l, Chen, C.
登録日2014-06-06
公開日2015-05-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015

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