8TXY
 
 | | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | | 著者 | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | | 登録日 | 2023-08-24 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8HVQ
 | | Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis | | 分子名称: | 1,2-ETHANEDIOL, Cof-type HAD-IIB family hydrolase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kaur, H, Mahto, J.K, Kumar, P, Sharma, A.K. | | 登録日 | 2022-12-27 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Characterization of haloacid dehalogenase superfamily acid phosphatase from Staphylococcus lugdunensis.
Arch.Biochem.Biophys., 753, 2024
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6QMJ
 | | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | | 分子名称: | (3~{S})-3-(7-methoxy-1-methyl-benzotriazol-5-yl)-3-[4-methyl-3-[[methyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | 著者 | Davies, T.G. | | 登録日 | 2019-02-07 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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6WQP
 | | GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis | | 分子名称: | 1,2-ETHANEDIOL, BICARBONATE ION, Endoglucanase, ... | | 著者 | Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | | 登録日 | 2020-04-29 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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5X4M
 | | Crystal structure of the BCL6 BTB domain in complex with Compound 1 | | 分子名称: | B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine | | 著者 | Sogabe, S, Ida, K, Lane, W, Snell, G. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
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6QMC
 | | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | | 分子名称: | (3~{S})-3-(4-chlorophenyl)-3-(2-oxidanylidene-1~{H}-pyridin-4-yl)propanoic acid, Kelch-like ECH-associated protein 1 | | 著者 | Davies, T.G. | | 登録日 | 2019-02-07 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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6QMO
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6YWM
 | | Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | | 著者 | Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-29 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
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5CZL
 | | Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library | | 分子名称: | Glucanase, PHOSPHATE ION | | 著者 | Scapin, S.M.N, Souza, F.H.M, Zanphorlin, L.M, Almeida, T.S, Sade, Y.B, Cardoso, A.M, Pinheiro, G.L, Murakami, M.T. | | 登録日 | 2015-07-31 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.391 Å) | | 主引用文献 | Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
To Be Published
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8F29
 | | Yeast ATP synthase in conformation-1 at pH 6 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase protein 8, ATP synthase subunit 4, ... | | 著者 | Sharma, S, Patel, H, Luo, M, Mueller, D.M, Liao, M. | | 登録日 | 2022-11-07 | | 公開日 | 2024-02-07 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Conformational ensemble of yeast ATP synthase at low pH reveals unique intermediates and plasticity in F 1 -F o coupling.
Nat.Struct.Mol.Biol., 31, 2024
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6WOH
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 1,5-di-methylenebisphosphonate inositol tetrakisphosphate (1,5-PCP-IP4) | | 分子名称: | Diphosphoinositol polyphosphate phosphohydrolase 1, SULFATE ION, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) | | 著者 | Zong, G.N, Wang, H.C, Shears, S.B. | | 登録日 | 2020-04-24 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
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6VJ3
 | | Carbonic Anhydrase II in complex with pyrimidine-based inhibitor | | 分子名称: | 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Lomelino, C.L, McKenna, R. | | 登録日 | 2020-01-14 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells.
Eur.J.Med.Chem., 190, 2020
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6NVT
 | | Crystal structure of TLA-1 extended spectrum Beta-lactamase | | 分子名称: | ACETATE ION, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Rudino-Pinera, E, Cifuentes-Castro, V.H, Rodriguez-Almazan, C. | | 登録日 | 2019-02-05 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The crystal structure of ESBL TLA-1 in complex with clavulanic acid reveals a second acylation site.
Biochem.Biophys.Res.Commun., 522, 2020
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8Z6B
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8TS6
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8WXJ
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8FQX
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8FR1
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4XD0
 | | X-ray structure of the N-formyltransferase QdtF from Providencia alcalifaciens | | 分子名称: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, CHLORIDE ION, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ... | | 著者 | Thoden, J.B, Woodford, C.R, Holden, H.M. | | 登録日 | 2014-12-18 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | New Role for the Ankyrin Repeat Revealed by a Study of the N-Formyltransferase from Providencia alcalifaciens.
Biochemistry, 54, 2015
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8FR2
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4XLL
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6WX2
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8WXI
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4XHV
 | | Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | | 著者 | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | | 登録日 | 2015-01-06 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function.
Nat Commun, 6, 2015
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8X1G
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