6YLK
 
 | | Cdk2(F80C) with Covalent Adduct TK22 at F80C | | 分子名称: | Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate | | 著者 | Craven, G, Morgan, R.M.L, Mann, D.J. | | 登録日 | 2020-04-07 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
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5MRD
 | | Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M. | | 登録日 | 2016-12-22 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
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7AV4
 | | Dark state structure of the C432S mutant of Fatty Acid Photodecarboxylase (FAP) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | | 著者 | Schlichting, I, Hartmann, E, Arnoux, P, Sorigue, D, Beisson, F. | | 登録日 | 2020-11-04 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.936 Å) | | 主引用文献 | Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
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7NT1
 | | Crystal structure of SARS CoV2 main protease in complex with FSP007 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-08 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7NT2
 | | Crystal structure of SARS CoV2 main protease in complex with FSP006 | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-08 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.145 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6P0M
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | 分子名称: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | 登録日 | 2019-05-17 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7PVP
 | | Crystal structure of the SAKe6BC designer protein | | 分子名称: | SAKe6BC | | 著者 | Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S. | | 登録日 | 2021-10-05 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
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5IIA
 | | Crystal structure of red abalone egg VERL repeat 3 in complex with sperm lysin at 1.7 A resolution (crystal form I) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Egg-lysin, Vitelline envelope sperm lysin receptor | | 著者 | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L. | | 登録日 | 2016-03-01 | | 公開日 | 2017-06-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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7NTV
 | | Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map) | | 分子名称: | 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-10 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.065 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7PXZ
 | | Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION | | 著者 | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | | 登録日 | 2021-10-08 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
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7NUK
 | | Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map) | | 分子名称: | 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7NT3
 | | Crystal structure of SARS CoV2 main protease in complex with FSCU015 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-08 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.325 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7B2L
 | | Structure of the endocytic adaptor complex AENTH | | 分子名称: | ANTH domain of Sla2, ENTH domain of epsin Ent1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | 著者 | Klebl, D.P, Lizarrondo, J, Sobott, F, Garcia-Alai, M, Muench, S.P. | | 登録日 | 2020-11-27 | | 公開日 | 2021-05-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structure of the endocytic adaptor complex reveals the basis for efficient membrane anchoring during clathrin-mediated endocytosis.
Nat Commun, 12, 2021
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7PD5
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-AMINOBENZOIC ACID, CHLORIDE ION, ... | | 著者 | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | | 登録日 | 2021-08-04 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid
To Be Published
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7PDO
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7Q58
 | | Crystal structure of the SAKe6BR designer protein | | 分子名称: | SAKe6BR | | 著者 | Wouters, S.M.L, Noguchi, H, Velupla, G, Clarke, D.E, Voet, A.R.D, De Feyter, S. | | 登録日 | 2021-11-03 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
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7NR2
 | | The structure of the SBP TarP_Sse in complex with coumarate | | 分子名称: | 4'-HYDROXYCINNAMIC ACID, SULFATE ION, TRAP dicarboxylate transporter, ... | | 著者 | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | 登録日 | 2021-03-02 | | 公開日 | 2021-10-06 | | 最終更新日 | 2022-01-26 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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7NQG
 | | The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate | | 分子名称: | 1,2-ETHANEDIOL, 4-HYDROXYPHENYLACETATE, PHOSPHATE ION, ... | | 著者 | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | 登録日 | 2021-03-01 | | 公開日 | 2021-10-06 | | 最終更新日 | 2022-01-26 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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7NRR
 | | The structure of the SBP TarP_Csal in complex with caffeate | | 分子名称: | CAFFEIC ACID, MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit | | 著者 | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | 登録日 | 2021-03-04 | | 公開日 | 2021-10-06 | | 最終更新日 | 2022-01-26 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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7NRA
 | | The structure of the SBP TarP_Sse in complex with cinnamate | | 分子名称: | HYDROCINNAMIC ACID, TRAP dicarboxylate transporter, DctP subunit | | 著者 | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | 登録日 | 2021-03-03 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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7NSW
 | | The structure of the SBP TarP_Csal in complex with coumarate | | 分子名称: | 1,2-ETHANEDIOL, 4'-HYDROXYCINNAMIC ACID, MAGNESIUM ION, ... | | 著者 | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | 登録日 | 2021-03-08 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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6PHJ
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6PHO
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6PID
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7NTD
 | | The structure of the SBP TarP_Csal in complex with ferulate | | 分子名称: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | 登録日 | 2021-03-09 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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