3WCM
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![BU of 3wcm by Molmil](/molmil-images/mine/3wcm) | The complex structure of HsSQS wtih ligand, ER119884 | 分子名称: | (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase | 著者 | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | 登録日 | 2013-05-28 | 公開日 | 2014-06-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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7ZZY
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3BBX
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1C35
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![BU of 1c35 by Molmil](/molmil-images/mine/1c35) | SOLUTION STRUCTURE OF A QUADRUPLEX FORMING DNA AND ITS INTERMIDIATE | 分子名称: | DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), POTASSIUM ION | 著者 | Bolton, P.H, Marathias, V.M, Wang, K. | 登録日 | 1999-07-25 | 公開日 | 1999-08-18 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structures of the potassium-saturated, 2:1, and intermediate, 1:1, forms of a quadruplex DNA. Nucleic Acids Res., 28, 2000
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6VAO
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![BU of 6vao by Molmil](/molmil-images/mine/6vao) | Human cofilin-1 decorated actin filament | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | 登録日 | 2019-12-17 | 公開日 | 2020-01-08 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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4XJU
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![BU of 4xju by Molmil](/molmil-images/mine/4xju) | Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid | 分子名称: | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | 著者 | Brear, P. | 登録日 | 2015-01-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To be published
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5JEM
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![BU of 5jem by Molmil](/molmil-images/mine/5jem) | Complex of IRF-3 with CBP | 分子名称: | CREB-binding protein, Interferon regulatory factor 3 | 著者 | Zhao, B, Li, P. | 登録日 | 2016-04-18 | 公開日 | 2016-06-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins. Proc.Natl.Acad.Sci.USA, 113, 2016
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7BJD
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![BU of 7bjd by Molmil](/molmil-images/mine/7bjd) | Crystal structure of CHK1-10pt-mutant complex with compound 3 | 分子名称: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJH
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![BU of 7bjh by Molmil](/molmil-images/mine/7bjh) | Crystal structure of CHK1-10pt-mutant complex with compound 8 | 分子名称: | CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7ZR1
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![BU of 7zr1 by Molmil](/molmil-images/mine/7zr1) | Chaetomium thermophilum Mre11-Rad50-Nbs1 complex bound to ATPyS (composite structure) | 分子名称: | DH domain-containing protein, Double-strand break repair protein, FHA domain-containing protein, ... | 著者 | Bartho, J.D, Rotheneder, M, Stakyte, K, Lammens, K, Hopfner, K.P. | 登録日 | 2022-05-03 | 公開日 | 2023-01-11 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Cryo-EM structure of the Mre11-Rad50-Nbs1 complex reveals the molecular mechanism of scaffolding functions. Mol.Cell, 83, 2023
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6B9P
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![BU of 6b9p by Molmil](/molmil-images/mine/6b9p) | Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ... | 著者 | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | 登録日 | 2017-10-11 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | 主引用文献 | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
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5FF6
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![BU of 5ff6 by Molmil](/molmil-images/mine/5ff6) | Cetuximab Fab in complex with L10Q meditope variant | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... | 著者 | Bzymek, K.P, Williams, J.C. | 登録日 | 2015-12-17 | 公開日 | 2016-10-26 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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7ZLG
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![BU of 7zlg by Molmil](/molmil-images/mine/7zlg) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with acceptor peptide and bound to CMT2-Fab and anti-Fab nanobody | 分子名称: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | 著者 | Bloch, J.S, Mukherjee, S, Mao, R, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | 登録日 | 2022-04-15 | 公開日 | 2023-01-11 | 最終更新日 | 2023-05-10 | 実験手法 | ELECTRON MICROSCOPY (2.72 Å) | 主引用文献 | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
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5JGY
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![BU of 5jgy by Molmil](/molmil-images/mine/5jgy) | Crystal structure of maize AKR4C13 in P21 space group | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]oxy}butanoic acid (non-preferred name), Aldose reductase, ... | 著者 | Santos, M.L, Giuseppe, P.O, Kiyota, E, Sousa, S.M, Schmelz, E.A, Yunes, J.A, Koch, K.E, Murakami, M.T, Aparicio, R. | 登録日 | 2016-04-20 | 公開日 | 2017-05-03 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal structure of maize AKR4C13 in P21 space group To Be Published
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3IRN
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![BU of 3irn by Molmil](/molmil-images/mine/3irn) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil | 分子名称: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | 登録日 | 2009-08-24 | 公開日 | 2010-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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3WC9
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![BU of 3wc9 by Molmil](/molmil-images/mine/3wc9) | The complex structure of HsSQS wtih ligand, FSPP | 分子名称: | S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase | 著者 | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | 登録日 | 2013-05-26 | 公開日 | 2014-06-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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2VR6
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![BU of 2vr6 by Molmil](/molmil-images/mine/2vr6) | Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.3 A resolution | 分子名称: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | 著者 | Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J. | 登録日 | 2008-03-28 | 公開日 | 2008-04-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem., 283, 2008
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4XRD
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![BU of 4xrd by Molmil](/molmil-images/mine/4xrd) | Salmonella typhimurium AhpC W169F mutant | 分子名称: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | 著者 | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | 登録日 | 2015-01-21 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
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7ZTC
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![BU of 7ztc by Molmil](/molmil-images/mine/7ztc) | Non-muscle F-actin decorated with non-muscle tropomyosin 1.6 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Non-muscle tropomyosin 1.6, actin, ... | 著者 | Selvaraj, M, Kokate, S, Kogan, K, Kotila, T, Kremneva, E, Lappalainen, P, Huiskonen, J.T. | 登録日 | 2022-05-09 | 公開日 | 2023-01-11 | 最終更新日 | 2023-02-15 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structural basis underlying specific biochemical activities of non-muscle tropomyosin isoforms. Cell Rep, 42, 2023
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1HRD
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![BU of 1hrd by Molmil](/molmil-images/mine/1hrd) | GLUTAMATE DEHYDROGENASE | 分子名称: | GLUTAMATE DEHYDROGENASE | 著者 | Britton, K.L, Baker, P.J, Stillman, T.J, Rice, D.W. | 登録日 | 1996-04-03 | 公開日 | 1997-03-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The structure of Pyrococcus furiosus glutamate dehydrogenase reveals a key role for ion-pair networks in maintaining enzyme stability at extreme temperatures. Structure, 3, 1995
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6VCF
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![BU of 6vcf by Molmil](/molmil-images/mine/6vcf) | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form | 分子名称: | BICARBONATE ION, CHLORIDE ION, FE (II) ION, ... | 著者 | Daruwalla, A, Shi, W, Kiser, P.D. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.687 Å) | 主引用文献 | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase. Proc.Natl.Acad.Sci.USA, 117, 2020
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2JLZ
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![BU of 2jlz by Molmil](/molmil-images/mine/2jlz) | Dengue virus 4 NS3 helicase in complex with ssRNA and ADP | 分子名称: | 5'-R(*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | 著者 | Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J. | 登録日 | 2008-09-15 | 公開日 | 2008-11-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein. Embo J., 27, 2008
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5J8U
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![BU of 5j8u by Molmil](/molmil-images/mine/5j8u) | Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one | 分子名称: | 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one, Heat shock protein HSP 90-alpha | 著者 | Amaral, M, Matias, P. | 登録日 | 2016-04-08 | 公開日 | 2017-12-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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5M7Y
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![BU of 5m7y by Molmil](/molmil-images/mine/5m7y) | Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannotriose | 分子名称: | 1,6-alpha-mannosidase, MAGNESIUM ION, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose | 著者 | Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J. | 登録日 | 2016-10-28 | 公開日 | 2016-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases. J. Am. Chem. Soc., 139, 2017
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1BWX
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![BU of 1bwx by Molmil](/molmil-images/mine/1bwx) | THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 1-39, NMR, 10 STRUCTURES | 分子名称: | PARATHYROID HORMONE | 著者 | Marx, U.C, Roesch, P, Adermann, K, Bayer, P, Forssmann, W.-G. | 登録日 | 1998-09-29 | 公開日 | 2000-01-14 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structures of human parathyroid hormone fragments hPTH(1-34) and hPTH(1-39) and bovine parathyroid hormone fragment bPTH(1-37). Biochem.Biophys.Res.Commun., 267, 2000
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