5FWM
| Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CYCLIN-DEPENDENT KINASE 4, HEAT SHOCK PROTEIN HSP 90 BETA, ... | 著者 | Verba, K.A, Wang, R.Y.R, Arakawa, A, Liu, Y, Yokoyama, S, Agard, D.A. | 登録日 | 2016-02-18 | 公開日 | 2016-07-06 | 最終更新日 | 2019-10-23 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | Atomic Structure of Hsp90-Cdc37-Cdk4 Reveals that Hsp90 Traps and Stabilizes an Unfolded Kinase. Science, 352, 2016
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4QSE
| Crystal structure of ATU4361 sugar transporter from Agrobacterium Fabrum c58, target efi-510558, with bound glycerol | 分子名称: | ABC-TYPE SUGAR TRANSPORTER, GLYCEROL | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, K.L, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-07-03 | 公開日 | 2014-08-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Crystal structure of maltoside transporter ATU4361 from
Agrobacterium Fabrum, target EFI-510558 To be Published
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1A5O
| K217C VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL | 分子名称: | FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ... | 著者 | Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P. | 登録日 | 1998-02-17 | 公開日 | 1998-05-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand. Biochemistry, 37, 1998
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3LEP
| Human Aldose Reductase mutant T113C in complex with IDD388 | 分子名称: | (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, Aldose reductase, BROMIDE ION, ... | 著者 | Koch, C, Heine, A, Klebe, G. | 登録日 | 2010-01-15 | 公開日 | 2010-12-15 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
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5J05
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6S59
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8GFR
| Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with NBH2 | 分子名称: | (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Kovalevsky, A, Coates, L. | 登録日 | 2023-03-08 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors. J.Biol.Chem., 299, 2023
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4QUD
| Caspase-3 T140F | 分子名称: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | 著者 | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | 登録日 | 2014-07-10 | 公開日 | 2014-11-05 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.995 Å) | 主引用文献 | Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
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6EPX
| The ATAD2 bromodomain in complex with compound 3 | 分子名称: | (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | 著者 | Sledz, P, Caflisch, A. | 登録日 | 2017-10-12 | 公開日 | 2018-10-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
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4XV0
| Crystal structure of an endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Trichoderma reesei | 分子名称: | Beta-xylanase, CHLORIDE ION, GLYCEROL, ... | 著者 | Stogios, P.J, Xu, X, Cui, H, Savchenko, A. | 登録日 | 2015-01-26 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9697 Å) | 主引用文献 | Crystal structure of an endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Trichoderma reesei To Be Published
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6EQ0
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6AL2
| Crystal structure of E. coli YidC at 2.8 A resolution | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Membrane protein insertase YidC | 著者 | Tanaka, Y, Tsukazaki, T, Izumioka, A, Hamid, A.A, Fujii, A. | 登録日 | 2018-09-05 | 公開日 | 2018-11-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | 2.8-angstrom crystal structure of Escherichia coli YidC revealing all core regions, including flexible C2 loop. Biochem. Biophys. Res. Commun., 505, 2018
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8GFK
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5FAP
| CTX-M-15 in complex with FPI-1602 | 分子名称: | Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | 登録日 | 2015-12-11 | 公開日 | 2016-01-20 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5FNI
| Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | 分子名称: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, 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 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 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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6EAW
| Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 | 分子名称: | CALCIUM ION, CYS-THR-LYS-SER-ILE, Cationic trypsin, ... | 著者 | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | 登録日 | 2018-08-03 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.289 Å) | 主引用文献 | Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21 To Be Published
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6RK3
| Solution structure of the ribosome Elongation Factor P (EF-P) from Staphylococcus aureus | 分子名称: | Elongation factor P | 著者 | Usachev, K, Fatkhullin, B, Gabdulkhakov, A, Khusainov, I, Golubev, A, Validov, S, Yusupova, G, Yusupov, M. | 登録日 | 2019-04-30 | 公開日 | 2020-03-11 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus. Eur.Biophys.J., 49, 2020
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6EQJ
| Crystal Structure of Human Glycogenin-1 (GYG1) Tyr195pIPhe mutant, apo form | 分子名称: | 1,2-ETHANEDIOL, Glycogenin-1 | 著者 | Bailey, H.J, Kopec, J, Bilyard, M.K, Bezerra, G.A, Seo Lee, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Davis, B.G, Yue, W.W. | 登録日 | 2017-10-13 | 公開日 | 2017-12-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis. Nature, 563, 2018
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6EB7
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6XSD
| Patient-derived B2GPI | 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, Beta-2-glycoprotein 1 | 著者 | Klenotic, P.A, Yu, E.W.Y. | 登録日 | 2020-07-15 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | B2-Glycoprotein I and it's role in APS To Be Published
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5FE6
| Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10) | 分子名称: | (4-azanylpiperidin-1-yl)-cyclopropyl-methanone, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-16 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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8GUH
| Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with Tris | 分子名称: | 1,2-ETHANEDIOL, Serine palmitoyltransferase, [4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | 著者 | Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T. | 登録日 | 2022-09-12 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of Sphingobacterium multivorum serine palmitoyltransferase complexed with tris(hydroxymethyl)aminomethane. Acta Crystallogr.,Sect.F, 78, 2022
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6M8U
| Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, prenylated-FMN complex | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION | 著者 | Stogios, P.J, Skarina, T, Khusnutidinova, A, Wawrzak, Z, Yakunin, A.F, Savchenko, A. | 登録日 | 2018-08-22 | 公開日 | 2020-02-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.221 Å) | 主引用文献 | Crystal structure of UbiX-like FMN prenyltransferase AF1214 from Archaeoglobus fulgidus, prenylated-FMN complex To Be Published
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8VK9
| Structure of UbV.d2.3 in complex with Ube2d2-S22R | 分子名称: | GLYCEROL, Ubiquitin variant D2.3, Ubiquitin-conjugating enzyme E2 D2 | 著者 | Middleton, A.J. | 登録日 | 2024-01-08 | 公開日 | 2024-09-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and biophysical characterisation of ubiquitin variants that inhibit the ubiquitin conjugating enzyme Ube2d2 To Be Published
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3LJJ
| Bovine trypsin in complex with UB-THR 10 | 分子名称: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | 著者 | Wegscheid-Gerlach, C, Heine, A, Klebe, G. | 登録日 | 2010-01-26 | 公開日 | 2010-10-06 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties. J.Mol.Biol., 405, 2011
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