8KCB
 
 | |
8KCC
 | |
6RFF
 | | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 | | 分子名称: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | | 著者 | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | | 登録日 | 2019-04-14 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
|
|
7H7A
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z26333434 (CHIKV_MacB-x0620) | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, CHLORIDE ION, ... | | 著者 | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | 登録日 | 2024-04-26 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
|
|
5I44
 | | Structure of RacA-DNA complex; P21 form | | 分子名称: | Chromosome-anchoring protein RacA, DNA (5'-D(*TP*GP*AP*CP*GP*CP*CP*GP*GP*CP*GP*TP*CP*A)-3') | | 著者 | Schumacher, M.A. | | 登録日 | 2016-02-11 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.621 Å) | | 主引用文献 | Molecular insights into DNA binding and anchoring by the Bacillus subtilis sporulation kinetochore-like RacA protein.
Nucleic Acids Res., 44, 2016
|
|
6ELG
 | | Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I S88Y with Indole-3-acetonitrile | | 分子名称: | 1H-indol-3-ylacetonitrile, Trp operon repressor | | 著者 | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | | 登録日 | 2017-09-28 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | A biosensor for the direct visualization of auxin
Nature, 2021
|
|
6ENI
 | | Tryptophan Repressor TrpR from E.coli variant T44L S88Y with Indole-3-acetic acid as ligand | | 分子名称: | 1,2-ETHANEDIOL, 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | | 著者 | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | | 登録日 | 2017-10-04 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | A biosensor for the direct visualization of auxin
Nature, 2021
|
|
7OZT
 | | Nanobodies restore stability to cancer-associated mutants of tumor suppressor protein p16INK4a | | 分子名称: | Camelid nanobody NB09, Cyclin-dependent kinase inhibitor 2A | | 著者 | Pastok, M.W, Burbidge, O, Itzhaki, L, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2021-06-28 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Nanobodies restore stability to cancer-associated mutants of tumor suppressor protein p16INK4a
To Be Published
|
|
2M0J
 | |
6E9F
 | |
8CRC
 | | Structure of human Plk1 PBD in complex with Allopole-A | | 分子名称: | 7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, GLYCEROL, Serine/threonine-protein kinase PLK1 | | 著者 | Kirsch, K, Park, J.E, Lee, K.S. | | 登録日 | 2023-03-08 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Specific inhibition of an anticancer target, polo-like kinase 1, by allosterically dismantling its mechanism of substrate recognition.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6RPZ
 | |
1J9L
 | | CRYSTAL STRUCTURE OF SURE PROTEIN FROM T.MARITIMA IN COMPLEX WITH VANADATE | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, STATIONARY PHASE SURVIVAL PROTEIN, ... | | 著者 | Suh, S.W, Lee, J.Y, Kwak, J.E, Moon, J. | | 登録日 | 2001-05-28 | | 公開日 | 2001-09-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure and functional analysis of the SurE protein identify a novel phosphatase family.
Nat.Struct.Biol., 8, 2001
|
|
6E9E
 | | EsCas13d-crRNA binary complex | | 分子名称: | EsCas13d, MAGNESIUM ION, crRNA (52-MER) | | 著者 | Zhang, C, Lyumkis, D. | | 登録日 | 2018-08-01 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural Basis for the RNA-Guided Ribonuclease Activity of CRISPR-Cas13d.
Cell, 175, 2018
|
|
4LUT
 | | alanine racemase [Clostridium difficile 630] complex with cycloserine | | 分子名称: | Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | | 著者 | Asojo, O.A. | | 登録日 | 2013-07-25 | | 公開日 | 2014-06-04 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Structural and biochemical analyses of alanine racemase from the multidrug-resistant Clostridium difficile strain 630.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
8HUW
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Wang, J, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
4LVR
 | |
1J9J
 | | CRYSTAL STRUCTURE ANALYSIS OF SURE PROTEIN FROM T.MARITIMA | | 分子名称: | MAGNESIUM ION, STATIONARY PHASE SURVIVAL PROTEIN, SULFATE ION | | 著者 | Suh, S.W, Lee, J.Y, Kwak, J.E, Moon, J. | | 登録日 | 2001-05-27 | | 公開日 | 2001-09-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure and functional analysis of the SurE protein identify a novel phosphatase family.
Nat.Struct.Biol., 8, 2001
|
|
8HUX
 | | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Li, W.W, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
7A6I
 | | Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide | | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2020-08-25 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
|
|
8HUR
 | | Crystal structure of SARS-Cov-2 main protease in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Zhou, X.L, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
7A6J
 | | Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor, ... | | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2020-08-25 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
|
|
7A6K
 | | Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 | | 分子名称: | Epidermal growth factor receptor, SULFATE ION, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | | 登録日 | 2020-08-25 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
|
|
8HUS
 | | Crystal structure of SARS main protease in complex with S217622 | | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | 著者 | Lin, C, Zhang, J, Li, J. | | 登録日 | 2022-12-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
6RS8
 | | X-ray crystal structure of LsAA9B (transition metals soak) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | 登録日 | 2019-05-21 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
|
|
