8DM5
 
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with human ACE2 | | 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, Processed angiotensin-converting enzyme 2, ... | | 著者 | Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S. | | 登録日 | 2022-07-08 | | 公開日 | 2023-02-08 | | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | | 主引用文献 | Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
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7RLG
 | | Cryo-EM structure of human p97-D592N mutant bound to ADP. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | 登録日 | 2021-07-23 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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7RL9
 | | Cryo-EM structure of human p97-R191Q mutant bound to ADP. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | 登録日 | 2021-07-23 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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7RL6
 | | Cryo-EM structure of human p97-R155H mutant bound to ADP. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | 登録日 | 2021-07-23 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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7RLB
 | | Cryo-EM structure of human p97-A232E mutant bound to ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | 登録日 | 2021-07-23 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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7RLD
 | | Cryo-EM structure of human p97-E470D mutant bound to ADP. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | | 登録日 | 2021-07-23 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
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5KUF
 | | GluK2EM with 2S,4R-4-methylglutamate | | 分子名称: | 2S,4R-4-METHYLGLUTAMATE, Glutamate receptor ionotropic, kainate 2 | | 著者 | Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S. | | 登録日 | 2016-07-13 | | 公開日 | 2016-09-07 | | 最終更新日 | 2019-11-27 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
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5KUH
 | | GluK2EM with LY466195 | | 分子名称: | (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 2 | | 著者 | Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S. | | 登録日 | 2016-07-13 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (11.6 Å) | | 主引用文献 | Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
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6CMO
 | | Rhodopsin-Gi complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab light chain, ... | | 著者 | Kang, Y, Kuybeda, O, de Waal, P.W, Mukherjee, S, Van Eps, N, Dutka, P, Zhou, X.E, Bartesaghi, A, Erramilli, S, Morizumi, T, Gu, X, Yin, Y, Liu, P, Jiang, Y, Meng, X, Zhao, G, Melcher, K, Earnst, O.P, Kossiakoff, A.A, Subramaniam, S, Xu, H.E. | | 登録日 | 2018-03-05 | | 公開日 | 2018-06-20 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Cryo-EM structure of human rhodopsin bound to an inhibitory G protein.
Nature, 558, 2018
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4XK0
 | | Crystal structure of a tetramolecular RNA G-quadruplex in potassium | | 分子名称: | BARIUM ION, POTASSIUM ION, RNA (5'-(*UP*GP*GP*GP*GP*U)-3') | | 著者 | Chen, M.C, Murat, P, Abecassis, K.A, Ferre-D'Amare, A.R, Balasubramanian, S. | | 登録日 | 2015-01-09 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Insights into the mechanism of a G-quadruplex-unwinding DEAH-box helicase.
Nucleic Acids Res., 43, 2015
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7K87
 | | The crystal structure of the 2009 H1N1 PA endonuclease in complex with SJ000986436 | | 分子名称: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | 著者 | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | | 登録日 | 2020-09-25 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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5K0Z
 | | Cryo-EM structure of lactate dehydrogenase (LDH) in inhibitor-bound state | | 分子名称: | L-lactate dehydrogenase B chain | | 著者 | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | 登録日 | 2016-05-17 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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7KIY
 | | Plasmodium falciparum RhopH complex in soluble form | | 分子名称: | Cytoadherence linked asexual protein 3, High molecular weight rhoptry protein 3, High molecular weight rhoptry protein-2 | | 著者 | Schureck, M.A, Darling, J.E, Merk, A, Subramaniam, S, Desai, S.A. | | 登録日 | 2020-10-25 | | 公開日 | 2021-01-13 | | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | | 主引用文献 | Malaria parasites use a soluble RhopH complex for erythrocyte invasion and an integral form for nutrient uptake.
Elife, 10, 2021
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2YOJ
 | | HCV NS5B polymerase complexed with pyridonylindole compound | | 分子名称: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | | 著者 | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | | 登録日 | 2012-10-24 | | 公開日 | 2013-10-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
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7LAD
 | | Clobetasol propionate bound to CYP3A5 | | 分子名称: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | | 登録日 | 2021-01-06 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
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6CGV
 | | Revised crystal structure of human adenovirus | | 分子名称: | Hexon protein, Hexon-interlacing protein, Penton protein, ... | | 著者 | Natchiar, S.K, Venkataraman, S, Nemerow, G.R, Reddy, V.S. | | 登録日 | 2018-02-21 | | 公開日 | 2018-04-25 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Revised Crystal Structure of Human Adenovirus Reveals the Limits on Protein IX Quasi-Equivalence and on Analyzing Large Macromolecular Complexes.
J. Mol. Biol., 430, 2018
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5A1A
 | | 2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor | | 分子名称: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ... | | 著者 | Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S. | | 登録日 | 2015-04-29 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (2.2 Å) | | 主引用文献 | 2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor
Science, 348, 2015
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8EDZ
 | | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ000986319 | | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Cuypers, M.G, Slavish, J.P, Jayaraman, S, Rankovic, Z, White, S.W. | | 登録日 | 2022-09-06 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ000986319
To Be Published
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8EW6
 | | Anti-human CD8 VHH complex with CD8 alpha | | 分子名称: | Anti-CD8 alpha VHH, T-cell surface glycoprotein CD8 alpha chain | | 著者 | Kiefer, J.R, Williams, S, Davies, C.W, Koerber, J.T, Sriraman, S.K, Yin, Y.P. | | 登録日 | 2022-10-21 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-02-01 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | Development of an 18 F-labeled anti-human CD8 VHH for same-day immunoPET imaging.
Eur J Nucl Med Mol Imaging, 50, 2023
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2XE0
 | | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus | | 分子名称: | 24MER DNA, ACETATE ION, I-CREI V2V3 VARIANT, ... | | 著者 | Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Redondo, P, Villate, M, Merino, N, Marenchino, M, D'Abramo, M, Gervasio, F.L, Grizot, S, Daboussi, F, Smith, J, Chion-Sotine, I, Paques, F, Duchateau, P, Alibes, A, Stricher, F, Serrano, L, Blanco, F.J, Montoya, G. | | 登録日 | 2010-05-10 | | 公開日 | 2010-09-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Molecular Basis of Engineered Meganuclease Targeting of the Endogenous Human Rag1 Locus
Nucleic Acids Res., 39, 2011
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2YNJ
 | | GroEL at sub-nanometer resolution by Constrained Single Particle Tomography | | 分子名称: | 60 KDA CHAPERONIN, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | 著者 | Bartesaghi, A, Lecumberry, F, Sapiro, G, Subramaniam, S. | | 登録日 | 2012-10-15 | | 公開日 | 2012-12-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (8.4 Å) | | 主引用文献 | Protein Secondary Structure Determination by Constrained Single-Particle Cryo-Electron Tomography
Structure, 20, 2012
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6BUZ
 | | Cryo-EM structure of CENP-A nucleosome in complex with kinetochore protein CENP-N | | 分子名称: | DNA (147-MER), Histone H2A, Histone H2B, ... | | 著者 | Chittori, S, Hong, J, Kelly, A.E, Bai, Y, Subramaniam, S. | | 登録日 | 2017-12-11 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.92 Å) | | 主引用文献 | Structural mechanisms of centromeric nucleosome recognition by the kinetochore protein CENP-N.
Science, 359, 2018
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7REY
 | | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN APO FORM | | 分子名称: | SODIUM ION, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J. | | 登録日 | 2021-07-13 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystal structure of divalent Mg2+ dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published
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4MZ4
 | | Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | | 分子名称: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | | 著者 | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | | 登録日 | 2013-09-29 | | 公開日 | 2013-12-11 | | 最終更新日 | 2013-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
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2A4G
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | 分子名称: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | 著者 | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | | 登録日 | 2005-06-28 | | 公開日 | 2006-07-04 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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