5FTL
 
 | | Cryo-EM structure of human p97 bound to ATPgS (Conformation I) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | | Authors: | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | | Deposit date: | 2016-01-14 | | Release date: | 2016-01-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
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2YOJ
 | | HCV NS5B polymerase complexed with pyridonylindole compound | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | 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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5K11
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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5K10
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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5K12
 | | Cryo-EM structure of glutamate dehydrogenase at 1.8 A resolution | | Descriptor: | Glutamate dehydrogenase 1, mitochondrial | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (1.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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7KIY
 | | Plasmodium falciparum RhopH complex in soluble form | | Descriptor: | Cytoadherence linked asexual protein 3, High molecular weight rhoptry protein 3, High molecular weight rhoptry protein-2 | | Authors: | Schureck, M.A, Darling, J.E, Merk, A, Subramaniam, S, Desai, S.A. | | Deposit date: | 2020-10-25 | | Release date: | 2021-01-13 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Malaria parasites use a soluble RhopH complex for erythrocyte invasion and an integral form for nutrient uptake.
Elife, 10, 2021
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6CGV
 | | Revised crystal structure of human adenovirus | | Descriptor: | Hexon protein, Hexon-interlacing protein, Penton protein, ... | | Authors: | Natchiar, S.K, Venkataraman, S, Nemerow, G.R, Reddy, V.S. | | Deposit date: | 2018-02-21 | | Release date: | 2018-04-25 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | 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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6CMO
 | | Rhodopsin-Gi complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab light chain, ... | | Authors: | 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. | | Deposit date: | 2018-03-05 | | Release date: | 2018-06-20 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Cryo-EM structure of human rhodopsin bound to an inhibitory G protein.
Nature, 558, 2018
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5K0Z
 | | Cryo-EM structure of lactate dehydrogenase (LDH) in inhibitor-bound state | | Descriptor: | L-lactate dehydrogenase B chain | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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5KUF
 | | GluK2EM with 2S,4R-4-methylglutamate | | Descriptor: | 2S,4R-4-METHYLGLUTAMATE, Glutamate receptor ionotropic, kainate 2 | | Authors: | Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2016-07-13 | | Release date: | 2016-09-07 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
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5KUH
 | | GluK2EM with LY466195 | | Descriptor: | (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 2 | | Authors: | Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S. | | Deposit date: | 2016-07-13 | | Release date: | 2016-09-07 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (11.6 Å) | | Cite: | Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
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3CQP
 | | Human SOD1 G85R Variant, Structure I | | Descriptor: | COPPER (II) ION, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | | Authors: | Cao, X, Antonyuk, S, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-04-03 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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7LAD
 | | Clobetasol propionate bound to CYP3A5 | | Descriptor: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | | Deposit date: | 2021-01-06 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5.
J.Am.Chem.Soc., 143, 2021
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2YNJ
 | | GroEL at sub-nanometer resolution by Constrained Single Particle Tomography | | Descriptor: | 60 KDA CHAPERONIN, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Bartesaghi, A, Lecumberry, F, Sapiro, G, Subramaniam, S. | | Deposit date: | 2012-10-15 | | Release date: | 2012-12-12 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (8.4 Å) | | Cite: | Protein Secondary Structure Determination by Constrained Single-Particle Cryo-Electron Tomography
Structure, 20, 2012
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7UY4
 | | Aminoglycoside-modifying enzyme ANT-3,9 in complex with spectinomycin and AMP-PNP | | Descriptor: | Aminoglycoside (3'') (9) adenylyltransferase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Reeve, S.M, Lee, R.E, Das, N, Jayaraman, S. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Characterization of the spectinomycin deactivating enzyme ANT-3,9
To Be Published
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4MZ4
 | | Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2013-09-29 | | Release date: | 2013-12-11 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
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5A1A
 | | 2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor | | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ... | | Authors: | Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S. | | Deposit date: | 2015-04-29 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | 2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor
Science, 348, 2015
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2XE0
 | | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus | | Descriptor: | 24MER DNA, ACETATE ION, I-CREI V2V3 VARIANT, ... | | Authors: | 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. | | Deposit date: | 2010-05-10 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Molecular Basis of Engineered Meganuclease Targeting of the Endogenous Human Rag1 Locus
Nucleic Acids Res., 39, 2011
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2A4G
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | Authors: | 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. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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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4CC8
 | | Pre-fusion structure of trimeric HIV-1 envelope glycoprotein determined by cryo-electron microscopy | | Descriptor: | GP120, GP41, MONOCLONAL ANTIBODY VRC03 FAB HEAVY CHAIN, ... | | Authors: | Bartesaghi, A, Merk, A, Borgnia, M.J, Milne, J.L.S, Subramaniam, S. | | Deposit date: | 2013-10-18 | | Release date: | 2013-10-30 | | Last modified: | 2018-01-10 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Prefusion Structure of Trimeric HIV-1 Envelope Glycoprotein Determined by Cryo-Electron Microscopy.
Nat.Struct.Mol.Biol., 20, 2013
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6EBK
 | | The voltage-activated Kv1.2-2.1 paddle chimera channel in lipid nanodiscs | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera, Voltage-gated potassium channel subunit beta-2 | | Authors: | Matthies, D, Bae, C, Fox, T, Bartesaghi, A, Subramaniam, S, Swartz, K.J. | | Deposit date: | 2018-08-06 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
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6EBL
 | | The voltage-activated Kv1.2-2.1 paddle chimera channel in lipid nanodiscs, cytosolic domain | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera, Voltage-gated potassium channel subunit beta-2 | | Authors: | Matthies, D, Bae, C, Fox, T, Bartesaghi, A, Subramaniam, S, Swartz, K.J. | | Deposit date: | 2018-08-06 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
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6EBM
 | | The voltage-activated Kv1.2-2.1 paddle chimera channel in lipid nanodiscs, transmembrane domain of subunit alpha | | Descriptor: | Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera | | Authors: | Matthies, D, Bae, C, Fox, T, Bartesaghi, A, Subramaniam, S, Swartz, K.J. | | Deposit date: | 2018-08-06 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
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2VR6
 | | Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.3 A resolution | | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | | Authors: | Antonyuk, S, Cao, X, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Selverstone Valentine, J, Hasnain, S.S, Hart, P.J. | | Deposit date: | 2008-03-28 | | Release date: | 2008-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis.
J.Biol.Chem., 283, 2008
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2KQH
 | | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics | | Descriptor: | 5'-D(*CP*GP*GP*GP*CP*GP*GP*GP*CP*GP*CP*GP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3', POTASSIUM ION | | Authors: | Hsu, S.-T.D, Varnai, P, Bugaut, A, Reszka, A.P, Neidle, S, Balasubramanian, S. | | Deposit date: | 2009-11-05 | | Release date: | 2009-11-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A G-rich sequence within the c-kit oncogene promoter forms a parallel G-quadruplex having asymmetric G-tetrad dynamics
J.Am.Chem.Soc., 131, 2009
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