6VW0
 
 | | Mycobacterium tuberculosis RNAP S456L mutant open promoter complex | | Descriptor: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A. | | Deposit date: | 2020-02-18 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8A3J
 | | X-ray crystal structure of a de novo designed antiparallel coiled-coil heterotetramer with 3 heptad repeats, apCC-Tet*3-A2B2 | | Descriptor: | apCC-Tet*3-A, apCC-Tet*3-B | | Authors: | Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N. | | Deposit date: | 2022-06-08 | | Release date: | 2022-10-05 | | Last modified: | 2022-11-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles.
Chem Sci, 13, 2022
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5LL9
 | | Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2016-07-27 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases
Chemistryselect, 2017
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5KQZ
 | | Protease E35D-CaP2 | | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, Protease | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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6C4G
 | | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F. | | Deposit date: | 2018-01-11 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
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6WA0
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8FBP
 | | Glutamine synthetase from Pseudomonas aeruginosa, filament double-unit in compressed conformation | | Descriptor: | Glutamine synthetase | | Authors: | Phan, I.Q, Staker, B, Shek, R, Moser, T.H, Evans, J.E, van Voorhis, W.C, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-11-29 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Glutamine synthetase from Pseudomonas aeruginosa, filament double-unit in compressed conformation
To Be Published
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6T6K
 | | Y201W mutant of the orange carotenoid protein from Synechocystis at pH 6.5 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCINE, ... | | Authors: | Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G. | | Deposit date: | 2019-10-18 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein.
Commun Biol, 4, 2021
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7M17
 | | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | | Deposit date: | 2021-03-12 | | Release date: | 2021-03-24 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
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6QCG
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5N7C
 | | Human TTR altered conformation from soaking in CuCl2. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COPPER (II) ION, ... | | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | | Deposit date: | 2017-02-20 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
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6QE0
 | | Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA2) | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid, Ribosomal RNA large subunit methyltransferase J | | Authors: | Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C. | | Deposit date: | 2019-01-03 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.394 Å) | | Cite: | Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
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5N88
 | | Crystal structure of antibody bound to viral protein | | Descriptor: | PC4 and SFRS1-interacting protein, VH59 antibody | | Authors: | Bao, L, Hannon, C, Cruz-Migoni, A, Ptchelkine, D, Sun, M.-y, Derveni, M, Bunjobpol, W, Chambers, J.S, Simmons, A, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2017-02-23 | | Release date: | 2017-12-20 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Intracellular immunization against HIV infection with an intracellular antibody that mimics HIV integrase binding to the cellular LEDGF protein.
Sci Rep, 7, 2017
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5N62
 | | Human TTR crystals soaked in manganese chloride. | | Descriptor: | MANGANESE (II) ION, Transthyretin | | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | | Deposit date: | 2017-02-14 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
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5D4J
 | | Chloride-bound form of a copper nitrite reductase from Alcaligenes faecals | | Descriptor: | ACETIC ACID, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | | Deposit date: | 2015-08-07 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
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6AV9
 | | CryoEM structure of Mical Oxidized Actin (Class 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | | Authors: | Grintsevich, E.E, Ge, P, Sawaya, M.R, Yesilyurt, H.G, Terman, J.R, Zhou, Z.H, Reisler, E. | | Deposit date: | 2017-09-01 | | Release date: | 2018-01-17 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Catastrophic disassembly of actin filaments via Mical-mediated oxidation.
Nat Commun, 8, 2017
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7M19
 | | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2) | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | | Authors: | Kern, D.M, Gerber, E.E, Brohawn, S.G. | | Deposit date: | 2021-03-12 | | Release date: | 2021-03-24 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
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8FAI
 | | Cryo-EM structure of the Agrobacterium T-pilus | | Descriptor: | (7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate, Protein virB2 | | Authors: | Kreida, S, Narita, A, Johnson, M.D, Tocheva, E.I, Das, A, Jensen, G.J, Ghosal, D. | | Deposit date: | 2022-11-27 | | Release date: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structure of the Agrobacterium tumefaciens T4SS-associated T-pilus reveals stoichiometric protein-phospholipid assembly.
Structure, 31, 2023
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6QKW
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | | Deposit date: | 2019-01-30 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.512 Å) | | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
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8FM6
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6T19
 | | Structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals soaked with DTT at pH 7 | | Descriptor: | SODIUM ION, Type-1Aa cytolytic delta-endotoxin | | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
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6Q3F
 | | CDK2 in complex with FragLite2 | | Descriptor: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q45
 | | F1-ATPase from Fusobacterium nucleatum | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Petri, J, Nakatani, Y, Montgomery, M.G, Ferguson, S.A, Aragao, D, Leslie, A.G.W, Heikal, A, Walker, J.E, Cook, G.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of F1-ATPase from the obligate anaerobe Fusobacterium nucleatum.
Open Biology, 9, 2019
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5LNX
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7KRO
 | | Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2020-11-20 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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