8UA2
 
 | | Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (proteolyzed fragment) | | Descriptor: | IODIDE ION, RL2 | | Authors: | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-28 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 92, 2024
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8UA5
 | | Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (A636-Q776) | | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | | Authors: | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-28 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 92, 2024
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5K7T
 | | MicroED structure of thermolysin at 2.5 A resolution | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | | Deposit date: | 2016-05-26 | | Release date: | 2017-04-05 | | Last modified: | 2024-02-28 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
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5KAQ
 | | Crystal structure of broadly neutralizing Influenza A antibody 31.a.83 in complex with Hemagglutinin Hong Kong 1968. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ... | | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2016-06-01 | | Release date: | 2017-02-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.514 Å) | | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
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5K9N
 | | Structural and Mechanistic Analysis of Drosophila melanogaster Polyamine N acetyltransferase, an enzyme that Catalyzes the Formation of N acetylagmatine | | Descriptor: | Polyamine N acetyltransferase | | Authors: | Dempsey, D.R, Nichols, D.A, Battistini, M.R, Pemberton, O, Ospina, S.R, Zhang, X, Carpenter, A.-M, Chen, Y, Merkler, D.J. | | Deposit date: | 2016-06-01 | | Release date: | 2017-06-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Mechanistic Analysis of Drosophila melanogaster Agmatine N-Acetyltransferase, an Enzyme that Catalyzes the Formation of N-Acetylagmatine.
Sci Rep, 7, 2017
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8CZX
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 17d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZW
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8U0O
 | | Synaptic complex of human DNA polymerase Lambda DL variant engaged on a DNA double-strand break containing an unpaired 3' primer terminus | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*CP*GP*CP*GP*GP*CP*A)-3'), ... | | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining.
DNA Repair (Amst), 136, 2024
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6MK7
 | | Solution structure of the large extracellular loop of FtsX in Streptococcus pneumoniae | | Descriptor: | Cell division protein FtsX | | Authors: | Edmonds, K.A, Fu, Y, Wu, H, Rued, B.E, Bruce, K.E, Winkler, M.E, Giedroc, D.P. | | Deposit date: | 2018-09-25 | | Release date: | 2019-02-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
MBio, 10, 2019
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6ZXK
 | | Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement | | Descriptor: | Lethal factor, Protective antigen | | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | | Deposit date: | 2020-07-29 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
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6VC8
 | | Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K. | | Deposit date: | 2019-12-20 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5LTR
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8U5J
 | | Structure of Mango III variant aptamer bound to T01-07M-B | | Descriptor: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium, DIMETHYL SULFOXIDE, Mango III variant, ... | | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | Deposit date: | 2023-09-12 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Mango III variant aptamer bound to T01-07M-B
To Be Published
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6NE3
 | | Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h bound at SHL-2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (156-MER), Histone H2A type 1, ... | | Authors: | Armache, J.-P, Gamarra, N, Johnson, S.L, Leonard, J.D, Wu, S, Narlikar, G.N, Cheng, Y. | | Deposit date: | 2018-12-16 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structures of remodeler-nucleosome intermediates suggest allosteric control through the nucleosome.
Elife, 8, 2019
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6WKH
 | | Crystal structure of pentalenene synthase mutant F76W complexed with 12,13-difluorofarnesyl diphosphate | | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Pentalenene synthase | | Authors: | Prem Kumar, R, Matos, J.O, Oprian, D.D. | | Deposit date: | 2020-04-16 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Mechanism Underlying Anti-Markovnikov Addition in the Reaction of Pentalenene Synthase.
Biochemistry, 59, 2020
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6NEM
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6ZMZ
 | | UDPG-bound Trehalose transferase from Thermoproteus uzoniensis | | Descriptor: | DI(HYDROXYETHYL)ETHER, Trehalose phosphorylase/synthase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | | Deposit date: | 2020-07-05 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
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7ODX
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6ZN6
 | | Protein polybromo-1 (PB1 BD2) Bound To MW278 | | Descriptor: | 1,2-ETHANEDIOL, 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol, Protein polybromo-1 | | Authors: | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | | Deposit date: | 2020-07-06 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
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4YS6
 | | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE | | Descriptor: | CHLORIDE ION, Putative solute-binding component of ABC transporter, SODIUM ION, ... | | Authors: | Vetting, M.W, Patskovsky, Y, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-03-16 | | Release date: | 2015-04-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM CLOSTRIDIUM PHYTOFERMENTANS (Cphy_1585, TARGET EFI-511156) WITH BOUND BETA-D-GLUCOSE
To be published
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6WZO
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8TQ8
 | | Crystal structure of Fab.34.5.8 in complex with MHC-I (H2-Dd) | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, Fab.34.5.8 Heavy chain, ... | | Authors: | Jiang, J, Boyd, L.F, Natarajan, K, Margulies, D.H. | | Deposit date: | 2023-08-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Experimental Structures of Antibody/MHC-I Complexes Reveal Details of Epitopes Overlooked by Computational Prediction.
J Immunol., 212, 2024
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7QCX
 | | Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, apo form | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 13 | | Authors: | Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R. | | Deposit date: | 2021-11-25 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
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5ELB
 | | Cholera toxin classical B-pentamer in complex with Lewis-y | | Descriptor: | BICINE, CALCIUM ION, Cholera enterotoxin B subunit, ... | | Authors: | Heggelund, J.E, Burschowsky, D, Krengel, U. | | Deposit date: | 2015-11-04 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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7QCY
 | | Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, complexed with RA-GEF2 peptide | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 13 | | Authors: | Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R. | | Deposit date: | 2021-11-25 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
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