6FBY
| Crystal structure of C-terminal modified Tau peptide-hybrid 4.2b with 14-3-3sigma | 分子名称: | (2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | 著者 | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | 登録日 | 2017-12-20 | 公開日 | 2018-05-16 | 最終更新日 | 2019-02-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
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5FNL
| Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | 分子名称: | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | 登録日 | 2015-11-15 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5KXY
| Hen Egg White Lysozyme at 278K, Data set 8 | 分子名称: | Lysozyme C, SODIUM ION | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-20 | 公開日 | 2016-09-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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6F9K
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7RBR
| The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Papain-like protease, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-07-06 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin. Nat Commun, 14, 2023
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4TR5
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6FCX
| Structure of human 5,10-methylenetetrahydrofolate reductase (MTHFR) | 分子名称: | CITRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase, ... | 著者 | Kopec, J, Bezerra, G.A, Oberholzer, A.E, Rembeza, E, Sorrell, F.J, Chalk, R, Borkowska, O, Ellis, K, Kupinska, K, Krojer, T, Burgess-Brown, N, Von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Froese, D.S, Baumgartner, M, Yue, W.W, Structural Genomics Consortium (SGC) | 登録日 | 2017-12-21 | 公開日 | 2018-05-16 | 最終更新日 | 2018-07-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition. Nat Commun, 9, 2018
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5XWT
| Crystal structure of PTPdelta Ig1-Fn1 in complex with SALM5 LRR-Ig | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Goto-Ito, S, Yamagata, A, Sato, Y, Fukai, S. | 登録日 | 2017-06-30 | 公開日 | 2018-06-06 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (4.178 Å) | 主引用文献 | Structural basis of trans-synaptic interactions between PTP delta and SALMs for inducing synapse formation. Nat Commun, 9, 2018
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6UZQ
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4Y67
| Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2015-02-12 | 公開日 | 2015-04-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
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5KZV
| Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol | 分子名称: | (3alpha,8alpha)-cholest-5-ene-3,20-diol, Smoothened | 著者 | Huang, P, Kim, Y, Salic, A. | 登録日 | 2016-07-25 | 公開日 | 2016-08-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.616 Å) | 主引用文献 | Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling. Cell, 166, 2016
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8BFN
| E. coli Wadjet JetABC dimer of dimers | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, JetA, JetB, ... | 著者 | Roisne-Hamelin, F, Beckert, B, Myasnikov, A, Li, Y, Gruber, S. | 登録日 | 2022-10-26 | 公開日 | 2022-12-14 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | DNA-measuring Wadjet SMC ATPases restrict smaller circular plasmids by DNA cleavage. Mol.Cell, 82, 2022
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6FBB
| Crystal structure of 14-3-3 sigma in complex with wild-type Shroom3 | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Leysen, S, Meijer, F.A, Milroy, L.G, Ottmann, C. | 登録日 | 2017-12-18 | 公開日 | 2018-03-14 | 最終更新日 | 2018-05-09 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Characterization of Coding/Noncoding Variants forSHROOM3in Patients with CKD. J. Am. Soc. Nephrol., 29, 2018
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5HBE
| CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one | 分子名称: | 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... | 著者 | Musil, D, Blagg, J, Mallinger, A. | 登録日 | 2015-12-31 | 公開日 | 2016-02-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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4Y6P
| Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2015-02-13 | 公開日 | 2015-04-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
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7JXO
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8EKF
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7JS6
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7K3G
| SARS-CoV-2 Envelope Protein Transmembrane Domain: Pentameric Structure Determined by Solid-State NMR | 分子名称: | Envelope small membrane protein | 著者 | Mandala, V.S, Hong, M, McKay, M.J, Shcherbakov, A.S, Dregni, A.J. | 登録日 | 2020-09-11 | 公開日 | 2020-09-30 | 最終更新日 | 2024-05-15 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers. Nat.Struct.Mol.Biol., 27, 2020
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6QG8
| Structure of human Bcl-2 in complex with PUMA BH3 peptide | 分子名称: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3 | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-10 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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7UWW
| Sas6 with alpha-cyclodextrin | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ... | 著者 | Photenhauer, A.L, Koropatkin, N.M. | 登録日 | 2022-05-04 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | The Ruminococcus bromii amylosome protein Sas6 binds single and double helical alpha-glucan structures in starch. Nat.Struct.Mol.Biol., 31, 2024
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6H04
| Closed conformation of the Membrane Attack Complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ... | 著者 | Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D. | 登録日 | 2018-07-06 | 公開日 | 2018-12-19 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (5.6 Å) | 主引用文献 | CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers. Nat Commun, 9, 2018
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5D91
| Structure of a phosphatidylinositolphosphate (PIP) synthase from Renibacterium Salmoninarum | 分子名称: | AF2299 protein,Phosphatidylinositol synthase, MAGNESIUM ION, Octadecane, ... | 著者 | Clarke, O.B, Tomasek, D.T, Jorge, C.D, Belcher Dufrisne, M, Kim, M, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Santos, H, Mancia, F. | 登録日 | 2015-08-18 | 公開日 | 2015-11-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Structural basis for phosphatidylinositol-phosphate biosynthesis. Nat Commun, 6, 2015
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4RMZ
| Crystal Structure of IRAK-4 | 分子名称: | 3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide, Interleukin-1 receptor-associated kinase 4 | 著者 | Johnstone, S, Sudom, A, Liu, J, Walker, N.P, Wang, Z. | 登録日 | 2014-10-22 | 公開日 | 2016-01-13 | 最終更新日 | 2016-03-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper To be Published
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7N24
| NMR structure of native EpI | 分子名称: | Alpha-conotoxin EpI | 著者 | Conibear, A.C, Rosengren, K.J, Lee, H.S. | 登録日 | 2021-05-28 | 公開日 | 2021-11-17 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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