7REN
 
 | | Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004 | | 分子名称: | 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | | 著者 | Milano, S.K, Finke, A, Cerione, R.A. | | 登録日 | 2021-07-13 | | 公開日 | 2022-05-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography.
J.Biol.Chem., 298, 2022
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4V2M
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6QFM
 | | Structure of human Mcl-1 in complex with PUMA BH3 peptide | | 分子名称: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | 登録日 | 2019-01-10 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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9AVQ
 | | Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | | 著者 | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | | 登録日 | 2024-03-04 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
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6EN0
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6QL0
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6U84
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6EEL
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8B4H
 | | IstA transposase cleaved donor complex | | 分子名称: | DNA (55-MER) / right IS21 transposon end (insertion sequence IS5376), DNA (57-MER) / right IS21 transposon end (insertion sequence IS5376), MAGNESIUM ION, ... | | 著者 | Spinola-Amilibia, M, de la Gandara, A, Araujo-Bazan, L, Berger, J.M, Arias-Palomo, E. | | 登録日 | 2022-09-20 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | | 主引用文献 | IS21 family transposase cleaved donor complex traps two right-handed superhelical crossings.
Nat Commun, 14, 2023
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9G35
 | | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin | | 分子名称: | 1,2-ETHANEDIOL, Endothiapepsin, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | | 著者 | Falke, S, Senst, J.M, Guenther, S, Meents, A. | | 登録日 | 2024-07-11 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
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7XZR
 | | Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | 著者 | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
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5E2O
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9ARQ
 | | Crystal structure of SARS-CoV-2 main protease (authentic protein) in complex with an inhibitor TKB-245 | | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | | 登録日 | 2024-02-23 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
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7R1C
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5KNE
 | | CryoEM Reconstruction of Hsp104 Hexamer | | 分子名称: | Heat shock protein 104, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Yokom, A.L, Gates, S.N, Jackrel, M.E, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | | 登録日 | 2016-06-28 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (5.64 Å) | | 主引用文献 | Spiral architecture of the Hsp104 disaggregase reveals the basis for polypeptide translocation.
Nat.Struct.Mol.Biol., 23, 2016
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6QLH
 | | Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate | | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavin prenyltransferase UbiX, Isopentenyl phosphate, ... | | 著者 | Marshall, S.A, Leys, D. | | 登録日 | 2019-02-01 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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4UVA
 | | LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S) | | 分子名称: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate | | 著者 | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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9FEE
 | | Cryo-EM structure of Trypanosoma cruzi glycosomal malate dehydrogenase | | 分子名称: | malate dehydrogenase | | 著者 | Lipinski, O, Sonani, R.R, Blat, A, Jemiola-Rzeminska, M, Patel, S.N, Sood, T, Dubin, G. | | 登録日 | 2024-05-19 | | 公開日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | | 主引用文献 | Cryo-EM structure of Trypanosoma cruzi glycosomal malate dehydrogenase
To Be Published
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6UE0
 | | Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate | | 分子名称: | 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION | | 著者 | Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P. | | 登録日 | 2019-09-20 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens.
Febs Lett., 594, 2020
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6QLI
 | | Crystal structure of F181Q UbiX in complex with FMN and dimethylallyl monophosphate | | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ... | | 著者 | Marshall, S.A, Leys, D. | | 登録日 | 2019-02-01 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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9BV0
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6UHX
 | | Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized oxidoreductase YIR035C | | 著者 | Stogios, P.J, Skarina, T, Chen, C, Kagan, O, Iakounine, A, Savchenko, A. | | 登録日 | 2019-09-29 | | 公開日 | 2020-08-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystal structure of YIR035C short chain dehydrogenases/reductase from Saccharomyces cerevisiae
To Be Published
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4V2N
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4UY3
 | | Cytoplasmic domain of bacterial cell division protein ezra | | 分子名称: | SEPTATION RING FORMATION REGULATOR EZRA | | 著者 | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | | 登録日 | 2014-08-28 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis.
Nat.Commun., 5, 2014
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6ERI
 | | Structure of the chloroplast ribosome with chl-RRF and hibernation-promoting factor | | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10 alpha, ... | | 著者 | Perez Borema, A, Aibara, S, Paul, B, Tobiasson, V, Kimanius, D, Forsberg, B.O, Wallden, K, Lindahl, E, Amunts, A. | | 登録日 | 2017-10-18 | | 公開日 | 2018-04-18 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structure of the chloroplast ribosome with chl-RRF and hibernation-promoting factor.
Nat Plants, 4, 2018
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