6XM1
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6WAR
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6XTW
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![BU of 6xtw by Molmil](/molmil-images/mine/6xtw) | HumRadA33F in complex with peptidic inhibitor 6 | Descriptor: | DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | Authors: | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-16 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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7RC0
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![BU of 7rc0 by Molmil](/molmil-images/mine/7rc0) | X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20 | Descriptor: | 3C-like proteinase, 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate, SODIUM ION | Authors: | Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-07-06 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies. J.Med.Chem., 64, 2021
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8G7X
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![BU of 8g7x by Molmil](/molmil-images/mine/8g7x) | Human fatty acid synthase dehydratase domain | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Akey, D.L, Konwerski, J.R, McCullough, T.M, Smith, J.L. | Deposit date: | 2023-02-17 | Release date: | 2023-06-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.815 Å) | Cite: | Structure of a modular polyketide synthase reducing region. Structure, 31, 2023
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6Q2W
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![BU of 6q2w by Molmil](/molmil-images/mine/6q2w) | Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2018-12-03 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
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5LMB
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7RC1
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![BU of 7rc1 by Molmil](/molmil-images/mine/7rc1) | X-ray Structure of SARS-CoV main protease covalently modified by compound GRL-0686 | Descriptor: | 3C-like proteinase, 5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate, DIMETHYL SULFOXIDE | Authors: | Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-07-07 | Release date: | 2021-09-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies. J.Med.Chem., 64, 2021
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8T1B
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![BU of 8t1b by Molmil](/molmil-images/mine/8t1b) | Cryo-EM structure of full-length human TRPV4 in apo state | Descriptor: | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera, ... | Authors: | Nadezhdin, K.D, Talyzina, I.A, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-06-02 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of human TRPV4 in complex with GTPase RhoA. Nat Commun, 14, 2023
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6WER
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![BU of 6wer by Molmil](/molmil-images/mine/6wer) | DENV2 NS1 in complex with neutralizing 2B7 Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab heavy chain, 2B7 Fab light chain, ... | Authors: | Akey, D.L, Smith, J.L. | Deposit date: | 2020-04-02 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.96 Å) | Cite: | Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction. Science, 371, 2021
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8T1E
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![BU of 8t1e by Molmil](/molmil-images/mine/8t1e) | Closed-state cryo-EM structure of full-length human TRPV4 in the presence of 4a-PDD | Descriptor: | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4,Enhanced green fluorescent protein, ... | Authors: | Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-06-02 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Structure of human TRPV4 in complex with GTPase RhoA. Nat Commun, 14, 2023
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6Q9K
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![BU of 6q9k by Molmil](/molmil-images/mine/6q9k) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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8CXI
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![BU of 8cxi by Molmil](/molmil-images/mine/8cxi) | Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy | Descriptor: | A11 heavy chain, A11 light chain, Ankyrin repeat family A protein 2,Envelope E protein, ... | Authors: | Liu, W, Zhang, X.K, Gong, D.Y, Dai, X.H, Sharma, A, Zhang, T.H, Rey, F, Zhou, Z.H. | Deposit date: | 2022-05-21 | Release date: | 2023-06-07 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy To Be Published
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6ZEZ
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4YJ0
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![BU of 4yj0 by Molmil](/molmil-images/mine/4yj0) | Crystal structure of the DM domain of human DMRT1 bound to 25mer target DNA | Descriptor: | DNA (25-MER), Doublesex- and mab-3-related transcription factor 1, ZINC ION | Authors: | Murphy, M.W, Lee, J.K, Rojo, S, Gearhart, M.D, Kurahashi, K, Banerjee, S, Loeuille, G, Bashamboo, A, McElreavey, K, Zarkower, D, Aihara, H, Bardwell, V.J. | Deposit date: | 2015-03-02 | Release date: | 2015-05-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.814 Å) | Cite: | An ancient protein-DNA interaction underlying metazoan sex determination. Nat.Struct.Mol.Biol., 22, 2015
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6W4I
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![BU of 6w4i by Molmil](/molmil-images/mine/6w4i) | APE1 Y269A product complex with abasic DNA | Descriptor: | DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Hoitsma, N.M. | Deposit date: | 2020-03-10 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | AP-endonuclease 1 sculpts DNA through an anchoring tyrosine residue on the DNA intercalating loop. Nucleic Acids Res., 48, 2020
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6NTG
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![BU of 6ntg by Molmil](/molmil-images/mine/6ntg) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-234 in Complex with Reactivator, HI-6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | Deposit date: | 2019-01-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.652 Å) | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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7P48
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![BU of 7p48 by Molmil](/molmil-images/mine/7p48) | Staphylococcus aureus ribosome in complex with Sal(B) | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Nicholson, D, Ranson, N.A, O'Neill, A.J. | Deposit date: | 2021-07-09 | Release date: | 2022-02-02 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Sal-type ABC-F proteins: intrinsic and common mediators of pleuromutilin resistance by target protection in staphylococci. Nucleic Acids Res., 50, 2022
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5MTF
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![BU of 5mtf by Molmil](/molmil-images/mine/5mtf) | A modular route to novel potent and selective inhibitors of rhomboid intramembrane proteases | Descriptor: | CHLORIDE ION, Rhomboid protease GlpG, inhibitor, ... | Authors: | Ticha, A, Stanchev, S, Vinothkumar, K.R, Mikles, D.C, Pachl, P, Svehlova, K, Nguyen, M.T.N, Verhelst, S.H.L, Johnson, D, Bachovchin, D, Lepsik, M, Majer, P, Strisovsky, K. | Deposit date: | 2017-01-09 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases. Cell Chem Biol, 24, 2017
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6NTN
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![BU of 6ntn by Molmil](/molmil-images/mine/6ntn) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-230 in Complex with the Reactivator, HI-6 | Descriptor: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | Deposit date: | 2019-01-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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5LVE
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4YN1
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![BU of 4yn1 by Molmil](/molmil-images/mine/4yn1) | THE ATOMIC STRUCTURE OF ANOMALA CUPREA ENTOMOPOXVIRUS (ACEPV) FUSOLIN SPINDLES | Descriptor: | 1,2-ETHANEDIOL, Fusolin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Chiu, E, Bunker, R.D, Metcalf, P. | Deposit date: | 2015-03-09 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization. Proc.Natl.Acad.Sci.USA, 112, 2015
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7ODY
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7P63
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![BU of 7p63 by Molmil](/molmil-images/mine/7p63) | Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 6, Closed state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2021-07-15 | Release date: | 2022-09-21 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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7P69
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![BU of 7p69 by Molmil](/molmil-images/mine/7p69) | Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 6, Resting state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ... | Authors: | Kravchuk, V, Kampjut, D, Sazanov, L. | Deposit date: | 2021-07-15 | Release date: | 2022-09-21 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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