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4UMG
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BU of 4umg by Molmil
Crystal structure of the Lin-41 filamin domain
分子名称: PROTEIN LIN-41
著者Tocchini, C, Keusch, J.J, Miller, S.B, Finger, S, Gut, H, Stadler, M, Ciosk, R.
登録日2014-05-16
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献The Trim-Nhl Protein Lin-41 Controls the Onset of Developmental Plasticity in Caenorhabditis Elegans.
Plos Genet., 10, 2014
4UFZ
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BU of 4ufz by Molmil
Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE
著者Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J.
登録日2015-03-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
4UMP
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BU of 4ump by Molmil
Structure of MELK in complex with inhibitors
分子名称: 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
登録日2014-05-20
公開日2014-10-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UI3
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BU of 4ui3 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-26
分子名称: 2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UHT
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BU of 4uht by Molmil
Crystal structure of the DNA binding domain of CpxR from E. coli
分子名称: CHLORIDE ION, TRANSCRIPTIONAL REGULATORY PROTEIN CPXR
著者Mechaly, A.E, Alzari, P.M.A.
登録日2015-03-25
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Conformational plasticity of the response regulator CpxR, a key player in Gammaproteobacteria virulence and drug-resistance.
J. Struct. Biol., 204, 2018
4UMR
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BU of 4umr by Molmil
Structure of MELK in complex with inhibitors
分子名称: 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
著者Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
登録日2014-05-20
公開日2014-10-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UI5
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BU of 4ui5 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-41
分子名称: 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
7O77
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BU of 7o77 by Molmil
Structure of the PL6 family alginate lyase Patl3640 from Pseudoalteromonas atlantica T6c
分子名称: GLYCEROL, Poly(Beta-D-mannuronate) lyase
著者Ballut, L, Violot, S, Carrique, L, Aghajari, N.
登録日2021-04-13
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.321 Å)
主引用文献Exploring molecular determinants of polysaccharide lyase family 6-1 enzyme activity.
Glycobiology, 31, 2021
4UHG
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BU of 4uhg by Molmil
Crystal structure of human tankyrase 2 in complex with TA-21
分子名称: 2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-24
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UIZ
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BU of 4uiz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
分子名称: 1,2-ETHANEDIOL, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
登録日2015-04-03
公開日2015-04-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UR3
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BU of 4ur3 by Molmil
Crystal structure of the PCE reductive dehalogenase from S. multivorans P2(1) crystal form
分子名称: IRON/SULFUR CLUSTER, NORPSEUDO-B12, TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT
著者Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H.
登録日2014-06-25
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.235 Å)
主引用文献Structural Basis for Organohalide Respiration.
Science, 346, 2014
4UR0
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BU of 4ur0 by Molmil
Crystal structure of the PCE reductive dehalogenase from S. multivorans in complex with trichloroethene
分子名称: 1,1,2-trichloroethene, BENZAMIDINE, GLYCEROL, ...
著者Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H.
登録日2014-06-25
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structural Basis for Organohalide Respiration.
Science, 346, 2014
7O7A
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BU of 7o7a by Molmil
Structure of the PL6 family alginate lyase Pedsa0632 from Pseudopedobacter saltans
分子名称: Aliginate lyase
著者Ballut, L, Violot, S, Carrique, L, Aghajari, N.
登録日2021-04-13
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Exploring molecular determinants of polysaccharide lyase family 6-1 enzyme activity.
Glycobiology, 31, 2021
4UXJ
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BU of 4uxj by Molmil
Leishmania major Thymidine Kinase in complex with dTTP
分子名称: MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ...
著者Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
登録日2014-08-22
公開日2015-05-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
7O78
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BU of 7o78 by Molmil
Structure of the PL6 family chondroitinase B from Pseudopedobacter saltans, Pedsa3807
分子名称: Polysaccharide lyase from Pseudopedobacter saltans, Pedsa3807
著者Ballut, L, Violot, S, Carrique, L, Aghajari, N.
登録日2021-04-13
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Exploring molecular determinants of polysaccharide lyase family 6-1 enzyme activity.
Glycobiology, 31, 2021
4UTJ
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BU of 4utj by Molmil
XenA - oxidized - Y183F variant in complex with 8-hydroxycoumarin
分子名称: 8-HYDROXYCOUMARIN, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ...
著者Werther, T, Dobbek, H.
登録日2014-07-21
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
7NUG
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BU of 7nug by Molmil
Influenza A/California/07/2009(H1N1) endonuclease in complex with orientin
分子名称: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Radilova, K, Brynda, J.
登録日2021-03-12
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
4UTQ
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BU of 4utq by Molmil
A structural model of the active ribosome-bound membrane protein insertase YidC
分子名称: ATP SYNTHASE SUBUNIT C, MEMBRANE PROTEIN INSERTASE YIDC
著者Wickles, S, Singharoy, A, Andreani, J, Seemayer, S, Bischoff, L, Berninghausen, O, Soeding, J, Schulten, K, vanderSluis, E.O, Beckmann, R.
登録日2014-07-22
公開日2014-07-30
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献A Structural Model of the Active Ribosome-Bound Membrane Protein Insertase Yidc.
Elife, 3, 2014
7O79
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BU of 7o79 by Molmil
Structure of the PL6 family polysaccharide lyase Pedsa3628 from Pseudopedobacter saltans
分子名称: PHOSPHATE ION, Poly(Beta-D-mannuronate) lyase
著者Ballut, L, Violot, S, Carrique, L, Aghajari, N.
登録日2021-04-13
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Exploring molecular determinants of polysaccharide lyase family 6-1 enzyme activity.
Glycobiology, 31, 2021
8CWV
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BU of 8cwv by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a cross-neutralizing nanobody 2-31 and a human antibody CC12.1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 Fab heavy chain, CC12.1 Fab light chain, ...
著者Liu, H, Wilson, I.A.
登録日2022-05-19
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
7NUH
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BU of 7nuh by Molmil
Influenza A/California/07/2009(H1N1) endonuclease with I38T mutation in complex with orientin
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Radilova, K, Brynda, J.
登録日2021-03-12
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
1BDI
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BU of 1bdi by Molmil
PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX
分子名称: DNA (5'-D(*TP*AP*CP*GP*CP*AP*AP*AP*CP*GP*TP*TP*TP*GP*CP*GP*T )-3'), HYPOXANTHINE, PROTEIN (PURINE REPRESSOR)
著者Glasfeld, A, Schumacher, M.A, Choi, K.Y, Zalkin, H, Brennan, R.G.
登録日1996-07-25
公開日1997-04-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Positively Charged Residue Bound in the Minor Groove Does not Alter the Bending of a DNA Duplex
J.Am.Chem.Soc., 118, 1996
4USN
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BU of 4usn by Molmil
The structure of the immature HIV-1 capsid in intact virus particles at sub-nm resolution
分子名称: P24
著者Schur, F.K.M, Hagen, W.J.H, Rumlova, M, Ruml, T, Mueller, B, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2014-07-11
公開日2014-11-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.8 Å)
主引用文献Structure of the Immature HIV-1 Capsid in Intact Virus Particles at 8.8 A Resolution.
Nature, 517, 2015
8CWU
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BU of 8cwu by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a cross-neutralizing nanobody 1-21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VHH 1-21
著者Liu, H, Wilson, I.A.
登録日2022-05-19
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
4UXT
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Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN HEAVY CHAIN ISOFORM 5A, ...
著者Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
登録日2014-08-27
公開日2014-09-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.4 Å)
主引用文献Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014

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