6Y7P
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![BU of 6y7p by Molmil](/molmil-images/mine/6y7p) | The complex between the eight-bladed symmetrical designer protein Tako8 and 1:2 zirconium(IV) Wells-Dawson (ZrWD) | 分子名称: | Tako8, W-Zr-cluster | 著者 | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | 登録日 | 2020-03-02 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters Cryst.Growth Des., 2021
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8Q34
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![BU of 8q34 by Molmil](/molmil-images/mine/8q34) | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | 著者 | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | 登録日 | 2023-08-03 | 公開日 | 2024-02-07 | 最終更新日 | 2024-08-14 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Mapping protein binding sites by photoreactive fragment pharmacophores. Commun Chem, 7, 2024
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1BUE
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![BU of 1bue by Molmil](/molmil-images/mine/1bue) | NMC-A CARBAPENEMASE FROM ENTEROBACTER CLOACAE | 分子名称: | PROTEIN (IMIPENEM-HYDROLYSING BETA-LACTAMASE) | 著者 | Swaren, P, Maveyraud, L, Cabantous, S, Pedelacq, J.D, Mourey, L, Frere, J.M, Samama, J.P. | 登録日 | 1998-09-03 | 公開日 | 1999-09-02 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | X-ray analysis of the NMC-A beta-lactamase at 1.64-A resolution, a class A carbapenemase with broad substrate specificity. J.Biol.Chem., 273, 1998
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8IXB
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![BU of 8ixb by Molmil](/molmil-images/mine/8ixb) | GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin seam region | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | 著者 | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | 登録日 | 2023-03-31 | 公開日 | 2023-08-16 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
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8IXG
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![BU of 8ixg by Molmil](/molmil-images/mine/8ixg) | GMPCPP-Alpha4A/Beta2A-microtubule decorated with kinesin seam region | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | 著者 | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | 登録日 | 2023-03-31 | 公開日 | 2023-08-16 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
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8IXE
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![BU of 8ixe by Molmil](/molmil-images/mine/8ixe) | GMPCPP-Alpha1C/Beta2A-microtubule decorated with kinesin seam region | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | 著者 | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | 登録日 | 2023-03-31 | 公開日 | 2023-08-16 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
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8IXA
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![BU of 8ixa by Molmil](/molmil-images/mine/8ixa) | GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin non-seam region | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | 著者 | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | 登録日 | 2023-03-31 | 公開日 | 2023-08-16 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
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1K0C
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![BU of 1k0c by Molmil](/molmil-images/mine/1k0c) | Ure2p in complex with S-p-nitrobenzylglutathione | 分子名称: | GLUTATHIONE, S-(P-NITROBENZYL)GLUTATHIONE, URE2 PROTEIN | 著者 | Bousset, L, Belrhali, H, Melki, R, Morera, S. | 登録日 | 2001-09-19 | 公開日 | 2001-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of the yeast prion Ure2p functional region in complex with glutathione and related compounds. Biochemistry, 40, 2001
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8IXD
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![BU of 8ixd by Molmil](/molmil-images/mine/8ixd) | GMPCPP-Alpha1C/Beta2A-microtubule decorated with kinesin non-seam region | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | 著者 | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | 登録日 | 2023-03-31 | 公開日 | 2023-08-16 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
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6F1X
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![BU of 6f1x by Molmil](/molmil-images/mine/6f1x) | Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | 分子名称: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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6Y1X
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![BU of 6y1x by Molmil](/molmil-images/mine/6y1x) | X-ray structure of the radical SAM protein NifB, a key nitrogenase maturating enzyme | 分子名称: | CHLORIDE ION, IRON/SULFUR CLUSTER, Radical SAM domain protein, ... | 著者 | Sosa-Fajardo, A, Legrand, P, Paya-Tormo, L, Martin, L, Pellicer-Martinez, M.T, Echavarri-Erasun, C, Vernede, X, Rubio, L.M, Nicolet, Y. | 登録日 | 2020-02-14 | 公開日 | 2020-06-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural Insights into the Mechanism of the Radical SAM Carbide Synthase NifB, a Key Nitrogenase Cofactor Maturating Enzyme. J.Am.Chem.Soc., 142, 2020
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8IXF
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![BU of 8ixf by Molmil](/molmil-images/mine/8ixf) | GMPCPP-Alpha4A/Beta2A-microtubule decorated with kinesin non-seam region | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | 著者 | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | 登録日 | 2023-03-31 | 公開日 | 2023-08-16 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules. Acta Biochim.Biophys.Sin., 55, 2023
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3O9L
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![BU of 3o9l by Molmil](/molmil-images/mine/3o9l) | Design and optimisation of new piperidines as renin inhibitors | 分子名称: | (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Corminboeuf, O, Bezencon, O, Grisostomi, C, Remen, L, Richard-Bildstein, S, Bur, D, Prade, L, Hess, P, Strickner, P, Treiber, A. | 登録日 | 2010-08-04 | 公開日 | 2011-03-02 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and optimization of new piperidines as renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5C1X
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![BU of 5c1x by Molmil](/molmil-images/mine/5c1x) | Crystal structure of EV71 3C Proteinase in complex with Compound VIII | 分子名称: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | 登録日 | 2015-06-15 | 公開日 | 2016-06-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5CBA
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![BU of 5cba by Molmil](/molmil-images/mine/5cba) | 3B4 in complex with CXCL13 - 3B4-CXCL13 | 分子名称: | 1,2-ETHANEDIOL, 3b4 heavy chain, 3b4 light chain, ... | 著者 | Tu, C, Bard, J, Mosyak, L. | 登録日 | 2015-06-30 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Combination of Structural and Empirical Analyses Delineates the Key Contacts Mediating Stability and Affinity Increases in an Optimized Biotherapeutic Single-chain Fv (scFv). J. Biol. Chem., 291, 2016
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5CCW
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![BU of 5ccw by Molmil](/molmil-images/mine/5ccw) | Structure of the complex of a human telomeric DNA with Au(caffein-2-ylidene)2 | 分子名称: | Au(caffein-2-ylidene)2, POTASSIUM ION, human telomeric DNA | 著者 | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Messori, L, Papi, F. | 登録日 | 2015-07-02 | 公開日 | 2016-03-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Determinants for Tight and Selective Binding of a Medicinal Dicarbene Gold(I) Complex to a Telomeric DNA G-Quadruplex: a Joint ESI MS and XRD Investigation. Angew.Chem.Int.Ed.Engl., 55, 2016
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3ODT
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![BU of 3odt by Molmil](/molmil-images/mine/3odt) | Crystal structure of WD40 beta propeller domain of Doa1 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Protein DOA1 | 著者 | Pashkova, N, Gakhar, L, Winistorfer, S.C, Yu, L, Ramaswamy, S, Piper, R.C. | 登録日 | 2010-08-11 | 公開日 | 2010-12-01 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | WD40 Repeat Propellers Define a Ubiquitin-Binding Domain that Regulates Turnover of F Box Proteins. Mol.Cell, 40, 2010
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3O47
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![BU of 3o47 by Molmil](/molmil-images/mine/3o47) | Crystal structure of ARFGAP1-ARF1 fusion protein | 分子名称: | ADP-ribosylation factor GTPase-activating protein 1, ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Wang, H, Tong, Y, Nedyalkova, L, Tempel, W, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-07-26 | 公開日 | 2010-08-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of ARFGAP1-ARF1 fusion protein to be published
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6SCR
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![BU of 6scr by Molmil](/molmil-images/mine/6scr) | |
6EYL
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![BU of 6eyl by Molmil](/molmil-images/mine/6eyl) | Crystal structure of OpuBC in complex with carnitine | 分子名称: | CARNITINE, Osmotically activated L-carnitine/choline ABC transporter substrate-binding protein OpuCC | 著者 | Peherstorfer, S, Teichmann, L, Smits, S.H, Sschmitt, L, Bremer, E. | 登録日 | 2017-11-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Reprogramming the substrate specificity of an ABC import system by a single amino acid substitution in its cognate ligand binding protein To Be Published
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6F23
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![BU of 6f23 by Molmil](/molmil-images/mine/6f23) | Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | 分子名称: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | 著者 | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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4DRA
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![BU of 4dra by Molmil](/molmil-images/mine/4dra) | Crystal structure of MHF complex | 分子名称: | Centromere protein S, Centromere protein X | 著者 | Tao, Y, Niu, L, Teng, M. | 登録日 | 2012-02-17 | 公開日 | 2012-05-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.414 Å) | 主引用文献 | The structure of the FANCM-MHF complex reveals physical features for functional assembly Nat Commun, 3, 2012
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8J5Z
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![BU of 8j5z by Molmil](/molmil-images/mine/8j5z) | The cryo-EM structure of the TwOSC1 tetramer | 分子名称: | Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside | 著者 | Ma, X, Yuru, T, Yunfeng, L, Jiang, T. | 登録日 | 2023-04-24 | 公開日 | 2023-11-01 | 最終更新日 | 2024-01-03 | 実験手法 | ELECTRON MICROSCOPY (4.75 Å) | 主引用文献 | Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC. Angew.Chem.Int.Ed.Engl., 62, 2023
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1K0A
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![BU of 1k0a by Molmil](/molmil-images/mine/1k0a) | Ure2p in Complex with S-hexylglutathione | 分子名称: | GLUTATHIONE, S-HEXYLGLUTATHIONE, URE2 PROTEIN | 著者 | Bousset, L, Belrhali, H, Melki, R, Morera, S. | 登録日 | 2001-09-19 | 公開日 | 2001-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of the yeast prion Ure2p functional region in complex with glutathione and related compounds. Biochemistry, 40, 2001
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6Y7O
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![BU of 6y7o by Molmil](/molmil-images/mine/6y7o) | The complex between the eight-bladed symmetrical designer protein Tako8 and the silicotungstic acid Keggin (STA) | 分子名称: | Keggin (STA), Tako8 | 著者 | Vandebroek, L, Noguchi, H, Parac-Vogt, T.N, Van Meervelt, L, Voet, A.R.D. | 登録日 | 2020-03-02 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters Cryst.Growth Des., 2021
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