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5TIS
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BU of 5tis by Molmil
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-10-03
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25000381 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
2MWH
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BU of 2mwh by Molmil
NMR solution structure of ligand-free OAA
分子名称: Anti-HIV lectin OAA
著者Lee, D, Carneiro, M.G, Koharudin, L.M, Griesinger, C, Gronenborn, A.M, Ban, D, Sabo, T, Trigo-Mourino, P, Mazur, A.
登録日2014-11-10
公開日2015-04-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Sampling of Glycan-Bound Conformers by the Anti-HIV Lectin Oscillatoria agardhii agglutinin in the Absence of Sugar.
Angew.Chem.Int.Ed.Engl., 54, 2015
2O20
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BU of 2o20 by Molmil
Crystal structure of transcription regulator CcpA of Lactococcus lactis
分子名称: CHLORIDE ION, Catabolite control protein A, SULFATE ION
著者Loll, B, Kowalczyk, M, Alings, C, Chieduch, A, Bardowski, J, Saenger, W, Biesiadka, J.
登録日2006-11-29
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the transcription regulator CcpA from Lactococcus lactis
Acta Crystallogr.,Sect.D, 63, 2007
8KGP
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BU of 8kgp by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
分子名称: DNA topoisomerase 2
著者Cong, J, Xin, Y, Li, X, Chen, Y.
登録日2023-08-19
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGQ
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BU of 8kgq by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
分子名称: DNA (38-MER), DNA topoisomerase 2
著者Cong, J, Xin, Y, Li, X, Chen, Y.
登録日2023-08-19
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGS
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BU of 8kgs by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
分子名称: DNA topoisomerase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Cong, J, Xin, Y, Li, X, Chen, Y.
登録日2023-08-19
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGL
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BU of 8kgl by Molmil
Structure of African swine fever virus topoisomerase II
分子名称: DNA topoisomerase 2
著者Cong, J, Xin, Y, Li, X, Chen, Y.
登録日2023-08-19
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGO
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BU of 8kgo by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
分子名称: DNA topoisomerase 2
著者Chen, Y, Xin, Y, Li, X, Cong, J.
登録日2023-08-19
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGR
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BU of 8kgr by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
分子名称: DNA (32-MER), DNA (33-MER), DNA topoisomerase 2, ...
著者Cong, J, Xin, U, Li, X, Chen, Y.
登録日2023-08-19
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGM
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BU of 8kgm by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
分子名称: DNA (38-MER), DNA topoisomerase 2
著者Cong, J, Xin, Y, Li, X, Chen, Y.
登録日2023-08-19
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
8KGN
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BU of 8kgn by Molmil
Structure of African swine fever virus topoisomerase II in complex with dsDNA
分子名称: DNA (38-MER), DNA topoisomerase 2
著者Cong, J, Xin, Y, Li, X, Chen, Y.
登録日2023-08-19
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structure of African swine fever virus topoisomerase II in complex with dsDNA
To Be Published
3I9Z
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BU of 3i9z by Molmil
Crystal structure of a metallochaperone with a trinuclear Cu(I) cluster
分子名称: COPPER (I) ION, Copper chaperone copZ
著者Hearnshaw, S.J, Zhou, L, Le Brun, N.E, Hemmings, A.M.
登録日2009-07-13
公開日2009-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic insights into Cu(I) cluster transfer between the chaperone CopZ and its cognate Cu(I)-transporting P-type ATPase, CopA.
Biochem.J., 424, 2009
6U82
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BU of 6u82 by Molmil
Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer containing bulge and loop
分子名称: DNA (38-MER), Double homeobox protein 4
著者Shi, K, Aihara, H.
登録日2019-09-04
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD.
Faseb J., 34, 2020
2WQB
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BU of 2wqb by Molmil
Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor
分子名称: 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR
著者Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A.
登録日2009-08-18
公開日2009-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo.
Bioorg.Med.Chem.Lett., 19, 2009
6JYZ
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BU of 6jyz by Molmil
Crystal structure of endogalactoceramidase
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ISOPROPYL ALCOHOL, ...
著者Liuqing, C, Yan, F.
登録日2019-04-29
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of an endogalactosylceramidase from Rhodococcus hoagii 103S reveals the molecular basis of its substrate specificity.
J.Struct.Biol., 208, 2019
6U81
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BU of 6u81 by Molmil
Crystal Structure of the Double Homeodomain of DUX4 in Complex with a DNA aptamer
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*CP*CP*CP*AP*TP*TP*AP*CP*GP*C)-3'), ...
著者Shi, K, Aihara, H.
登録日2019-09-04
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献DNA aptamers against the DUX4 protein reveal novel therapeutic implications for FSHD.
Faseb J., 34, 2020
2YOH
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BU of 2yoh by Molmil
Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor
分子名称: 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea, THYMIDYLATE KINASE
著者Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
登録日2012-10-24
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
2YOG
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BU of 2yog by Molmil
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor
分子名称: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE
著者Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
登録日2012-10-24
公開日2013-07-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
2YOF
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BU of 2yof by Molmil
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor
分子名称: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea, ACETATE ION, THYMIDYLATE KINASE, ...
著者Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H.
登録日2012-10-24
公開日2013-07-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
1W1W
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BU of 1w1w by Molmil
Sc Smc1hd:Scc1-C complex, ATPgS
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SISTER CHROMATID COHESION PROTEIN 1, ...
著者Haering, C, Nasmyth, K, Lowe, J.
登録日2004-06-24
公開日2004-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and stability of cohesin's Smc1-kleisin interaction.
Mol. Cell, 15, 2004
6C1K
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BU of 6c1k by Molmil
HypoPP mutant with ligand1
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GUANIDINE, Ion transport protein, ...
著者Catterall, W.A, Zheng, N, Jiang, D, Gamal El-Din, T.M.
登録日2018-01-04
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for gating pore current in periodic paralysis.
Nature, 557, 2018
6C1E
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BU of 6c1e by Molmil
NavAb NormoPP mutant
分子名称: (3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5-BETA-24-NOR-CHOLANE-3(ALPHA),7(ALPHA),12(ALPHA)-TRIOL, ...
著者Catterall, W.A, Zheng, N, Jiang, D, Gamal El-Din, T.M.
登録日2018-01-04
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural basis for gating pore current in periodic paralysis.
Nature, 557, 2018
5MG0
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BU of 5mg0 by Molmil
Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography
分子名称: 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ...
著者Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
4US2
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The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4URV
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The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ...
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015

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