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4BU9
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BU of 4bu9 by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4- methoxyphenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
8QNU
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BU of 8qnu by Molmil
Metarhizium robertsii Woronin body major protein (HEX-1)
分子名称: Woronin body major protein
著者Boger, J, Redecke, L.
登録日2023-09-27
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Comparison of different HEX-1 proteins
To Be Published
5M5Y
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BU of 5m5y by Molmil
RNA Polymerase I elongation complex 2
分子名称: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ...
著者Tafur, L, Sadian, Y, Hoffmann, N.A, Jakobi, A.J, Wetzel, R, Hagen, W.J.H, Sachse, C, Muller, C.W.
登録日2016-10-23
公開日2016-12-21
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Molecular Structures of Transcribing RNA Polymerase I.
Mol. Cell, 64, 2016
6F58
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BU of 6f58 by Molmil
Crystal structure of human Brachyury (T) in complex with DNA
分子名称: Brachyury protein, DNA (5'-D(*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP*AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*TP*T)-3'), SODIUM ION
著者Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-12-01
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.253 Å)
主引用文献Crystal structure of human Brachyury (T) in complex with DNA
To Be Published
5MBM
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BU of 5mbm by Molmil
Cathepsin B in complex with DARPin 8h6
分子名称: Cathepsin B, DARPin 8h6
著者Turk, D, Kramer, L, Renko, M, Turk, B.
登録日2016-11-08
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Cathepsin B in complex with DARPin 8h6
To Be Published
3SNA
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BU of 3sna by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-NSFSQ-H (soaking)
分子名称: 3C-like proteinase, Peptide aldehyde inhibitor Ac-NSFSQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
1N3J
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BU of 1n3j by Molmil
Structure and Substrate of a Histone H3 Lysine Methyltransferase from Paramecium Bursaria Chlorella Virus 1
分子名称: Histone H3 Lysine Methyltransferase
著者Manzur, K.L, Farooq, A, Zeng, L, Plotnikova, O, Sachchidanand, Koch, A.W, Zhou, M.-M.
登録日2002-10-28
公開日2003-01-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A dimeric viral SET domain methyltransferase specific to Lys27 of histone H3.
Nat.Struct.Biol., 10, 2003
5YSK
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BU of 5ysk by Molmil
SdeA mART-C domain EE/AA apo
分子名称: Ubiquitinating/deubiquitinating enzyme SdeA
著者Kim, L, Kwon, D.H, Song, H.K.
登録日2017-11-14
公開日2018-08-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Structural and Biochemical Study of the Mono-ADP-Ribosyltransferase Domain of SdeA, a Ubiquitylating/Deubiquitylating Enzyme from Legionella pneumophila
J. Mol. Biol., 430, 2018
4C38
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BU of 4c38 by Molmil
PKA-S6K1 Chimera with compound 21e (CCT239066) bound
分子名称: 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ...
著者Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
登録日2013-08-21
公開日2013-10-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
1N4O
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BU of 1n4o by Molmil
Crystal structure of the Class A beta-lactamase L2 from Stenotrophomonas maltophilia
分子名称: L2 beta-lactamase, SULFATE ION
著者Pernot, L, Petrella, S, Sougakoff, W.
登録日2002-11-01
公開日2003-11-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Role of the disulfide bridge Cys69-Cys238 in class A b-lactamases : a structural and biochemical investigation on the b-lactamase L2 from Stenotrophomonas maltophilia
To be Published
5YT0
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BU of 5yt0 by Molmil
Crystal structure of the complex of archaeal ribosomal stalk protein aP1 and archaeal translation initiation factor aIF5B
分子名称: Archaeal ribosomal stalk protein aP1, GUANOSINE-5'-DIPHOSPHATE, Probable translation initiation factor IF-2
著者Murakami, R, Singh, C.R, Morris, J, Tang, L, Harmon, I, Miyoshi, T, Ito, K, Asano, K, Uchiumi, T.
登録日2017-11-16
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Interaction between the Ribosomal Stalk Proteins and Translation Initiation Factor 5B Promotes Translation Initiation
Mol. Cell. Biol., 38, 2018
8UHF
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BU of 8uhf by Molmil
Cryo-EM of Vibrio cholerae toxin co-regulated pilus - asymmetric reconstruction
分子名称: Toxin co-regulated pilin
著者Sonani, R.R, Kundra, S, Craig, L, Egelman, E.H.
登録日2023-10-09
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Tad and toxin-coregulated pilus structures reveal unexpected diversity in bacterial type IV pili.
Proc.Natl.Acad.Sci.USA, 120, 2023
5MF2
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BU of 5mf2 by Molmil
Bacteriophage T5 distal tail protein pb9 co-crystallized with Tb-Xo4
分子名称: CHLORIDE ION, Distal tail protein, TERBIUM(III) ION, ...
著者Engilberge, S, Riobe, F, Di Pietro, S, Lassalle, L, Arnaud, C.-A, Breyton, C, Madern, D, Coquelle, N, Maury, O, Girard, E.
登録日2016-11-17
公開日2017-09-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallophore: a versatile lanthanide complex for protein crystallography combining nucleating effects, phasing properties, and luminescence.
Chem Sci, 8, 2017
5YEK
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BU of 5yek by Molmil
Crystal structure of BioQ
分子名称: TetR family transcriptional regulator
著者Yan, L, Guan, Z.Y, Zou, T.T.
登録日2017-09-17
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献Structural insights into operator recognition by BioQ in the Mycobacterium smegmatis biotin synthesis pathway.
Biochim Biophys Acta Gen Subj, 1862, 2018
8QTR
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BU of 8qtr by Molmil
Cryo-EM structure of the FB-bound yeast Ceramide Synthase
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, AMMONIUM ION, Ceramide synthase LAC1, ...
著者Schaefer, J, Clausmeyer, L, Koerner, C, Moeller, A, Froehlich, F.
登録日2023-10-13
公開日2024-10-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM Structure of the Yeast Ceramide Synthase Complex
To Be Published
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
分子名称: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
著者Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
1N4I
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BU of 1n4i by Molmil
Solution structure of spruce budworm antifreeze protein at 5 degrees celsius
分子名称: thermal hysteresis protein
著者Graether, S.P, Gagne, S.M, Spyracopoulos, L, Jia, Z, Davies, P.L, Sykes, B.D.
登録日2002-10-31
公開日2003-04-08
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Spruce Budworm Antifreeze Protein: Changes in Structure and Dynamics at Low Temperature
J.Mol.Biol., 327, 2003
8UWP
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BU of 8uwp by Molmil
Crystal structure of SETDB1 Tudor domain in complex with MR46747
分子名称: (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ...
著者Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-11-07
公開日2023-11-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of SETDB1 Tudor domain in complex with MR46747
To be published
1MU6
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BU of 1mu6 by Molmil
Crystal Structure of Thrombin in Complex with L-378,622
分子名称: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
著者Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J.
登録日2002-09-23
公開日2004-04-06
最終更新日2021-07-21
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
5MBL
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BU of 5mbl by Molmil
Cathepsin B in complex with DARPin 81
分子名称: Cathepsin B, DARPin 81, SULFATE ION
著者Turk, D, Kramer, L, Renko, M, Turk, B.
登録日2016-11-08
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Cathepsin B in complex with DARPin 81
To Be Published
1N72
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BU of 1n72 by Molmil
Structure and Ligand of a Histone Acetyltransferase Bromodomain
分子名称: HISTONE ACETYLTRANSFERASE
著者Dhalluin, C, Carlson, J.E, Zeng, L, He, C, Aggarwal, A.K, Zhou, M.-M.
登録日2002-11-12
公開日2002-12-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and Ligand of a Histone Acetyltransferase Bromodomain
Nature, 399, 1999
1N70
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BU of 1n70 by Molmil
The Crystal Structure of Nitrite Reductase Mutant His287Ala from Rhodobacter Sphaeroides
分子名称: COPPER (II) ION, Copper-containing nitrite reductase precursor, MAGNESIUM ION
著者Guo, H, Olesen, K, Shapliegh, J, Sjolin, L.
登録日2002-11-12
公開日2004-09-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Crystal Structure of Nitrite Reductase Mutant His287Ala from Rhodobacter Sphaeroides to 1.6 Resolution
To be Published
5XYX
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BU of 5xyx by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
分子名称: Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
1EVF
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BU of 1evf by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
登録日2000-04-19
公開日2000-05-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
5MEL
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BU of 5mel by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Glc-alpha-1,3-(3R,4R,5R)-5-(hydroxymethyl)cyclohex-1,2-ene-3,4-diol
分子名称: (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2016-11-15
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017

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