4S0L
| Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79V, and F123V mutant | 分子名称: | Threonine--tRNA ligase | 著者 | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | 登録日 | 2014-12-31 | 公開日 | 2015-03-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
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5FYZ
| Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile (N10063a) | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | 著者 | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | 登録日 | 2016-03-10 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10063A To be Published
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5FHL
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7N9K
| KirBac3.1 L124M mutant | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, N-OCTANE, ... | 著者 | Black, T.A, Gulbis, J.M. | 登録日 | 2021-06-18 | 公開日 | 2021-12-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Ion currents through Kir potassium channels are gated by anionic lipids. Nat Commun, 13, 2022
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5G0W
| InhA in complex with a DNA encoded library hit | 分子名称: | (2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide, ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, ... | 著者 | Read, J.A, Breed, J. | 登録日 | 2016-03-22 | 公開日 | 2016-11-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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4YB1
| 20A Mutant c-di-GMP Vc2 Riboswitch bound with 3',3'-cGAMP | 分子名称: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, MAGNESIUM ION, RNA (91-MER), ... | 著者 | Ren, A.M, Patel, D.J, Rajashankar, R.K. | 登録日 | 2015-02-18 | 公開日 | 2015-04-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.081 Å) | 主引用文献 | Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch. Cell Rep, 11, 2015
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6QAY
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6F8H
| antitoxin GraA | 分子名称: | XRE family transcriptional regulator | 著者 | Talavera, A, Loris, R. | 登録日 | 2017-12-13 | 公開日 | 2019-01-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | 主引用文献 | A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT. Nat Commun, 10, 2019
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6TCP
| Crystal structure of the omalizumab Fab Leu158Pro light chain mutant - crystal form II | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Omalizumab Fab Leu158Pro light chain mutant, ... | 著者 | Mitropoulou, A.N, Ceska, T, Beavil, A.J, Henry, A.J, McDonnell, J.M, Sutton, B.J, Davies, A.M. | 登録日 | 2019-11-06 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization. Acta Crystallogr.,Sect.F, 76, 2020
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6FFH
| Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Christopher, J.A, Orgovan, Z, Congreve, M, Dore, A.S, Errey, J.C, Marshall, F.H, Mason, J.S, Okrasa, K, Rucktooa, P, Serrano-Vega, M.J, Ferenczy, G.G, Keseru, G.M. | 登録日 | 2018-01-08 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures. J.Med.Chem., 62, 2019
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6N1T
| Toxoplasma gondii TS-DHFR in complex with selective inhibitor 3 | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine, ... | 著者 | Hopper, A.T, Brockman, A, Wise, A, Gould, J, Barks, J, Radke, J.B, Sibley, L.D, Zou, Y, Thomas, S.B. | 登録日 | 2018-11-11 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis. J. Med. Chem., 62, 2019
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5FYU
| Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-Amino-4-methyl-1,3-dihydro-2H-indol-2-one (N10042a) | 分子名称: | (3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Nowak, R, Krojer, T, Johansson, C, Pearce, N, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | 登録日 | 2016-03-09 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10042A To be Published
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6MGW
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5FZM
| Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid (N09989b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | 分子名称: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid, CHLORIDE ION, ... | 著者 | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | 登録日 | 2016-03-14 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 5-(2-Fluorophenyl)-1,3-Oxazole-4-Carboxylic Acid (N09989B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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4YCX
| Binary complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate | 分子名称: | DNA (5'-D(*CP*GP*GP*CP*AP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | 著者 | Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | 登録日 | 2015-02-20 | 公開日 | 2015-08-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Creative template-dependent synthesis by human polymerase mu. Proc.Natl.Acad.Sci.USA, 112, 2015
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6MH8
| High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source | 分子名称: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, Soluble cytochrome b562 chimeric construct | 著者 | Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W. | 登録日 | 2018-09-17 | 公開日 | 2019-04-24 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | 主引用文献 | High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source. Iucrj, 6, 2019
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7MWT
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6W7G
| Structure of EED bound to inhibitor 1056 | 分子名称: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2020-03-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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7NBZ
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5FLZ
| Cryo-EM structure of gamma-TuSC oligomers in a closed conformation | 分子名称: | SPINDLE POLE BODY COMPONENT 110, SPINDLE POLE BODY COMPONENT SPC97, SPINDLE POLE BODY COMPONENT SPC98, ... | 著者 | Greenberg, C.H, Kollman, J, Zelter, A, Johnson, R, MacCoss, M.J, Davis, T.N, Agard, D.A, Sali, A. | 登録日 | 2015-10-29 | 公開日 | 2016-01-13 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | 主引用文献 | Structure of Gamma-Tubulin Small Complex Based on a Cryo-Em Map, Chemical Cross-Links, and a Remotely Related Structure. J.Struct.Biol., 194, 2016
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5FZ8
| Crystal structure of the catalytic domain of human JARID1B in complex with malate | 分子名称: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2016-03-11 | 公開日 | 2017-03-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Malate To be Published
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8R8A
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4TS9
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4YDS
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8RGS
| Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa | 分子名称: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | 登録日 | 2023-12-14 | 公開日 | 2023-12-27 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
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