4B76
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![BU of 4b76 by Molmil](/molmil-images/mine/4b76) | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | Descriptor: | NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium | Authors: | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | Deposit date: | 2012-08-16 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function. Nat.Chem.Biol., 8, 2012
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8UPL
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![BU of 8upl by Molmil](/molmil-images/mine/8upl) | Cryo-EM structure of a Clockwise locked form of the Salmonella enterica Typhimurium flagellar C-ring, with C34 symmetry applied | Descriptor: | Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ... | Authors: | Johnson, S, Deme, J.C, Lea, S.M. | Deposit date: | 2023-10-22 | Release date: | 2024-01-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Structural basis of directional switching by the bacterial flagellum. Nat Microbiol, 9, 2024
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6HKS
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![BU of 6hks by Molmil](/molmil-images/mine/6hks) | |
1C0V
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![BU of 1c0v by Molmil](/molmil-images/mine/1c0v) | SUBUNIT C OF THE F1FO ATP SYNTHASE OF ESCHERICHIA COLI; NMR, 10 STRUCTURES | Descriptor: | PROTEIN (F1FO ATPASE SUBUNIT C) | Authors: | Girvin, M.E, Rastogi, V.K, Abildgaard, F, Markley, J.L, Fillingame, R.H. | Deposit date: | 1999-07-22 | Release date: | 1999-08-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the transmembrane H+-transporting subunit c of the F1F0 ATP synthase. Biochemistry, 37, 1998
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6F0X
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![BU of 6f0x by Molmil](/molmil-images/mine/6f0x) | Cryo-EM structure of TRIP13 in complex with ATP gamma S, p31comet, C-Mad2 and Cdc20 | Descriptor: | Cell division cycle protein 20 homolog, MAD2L1-binding protein, Mitotic spindle assembly checkpoint protein MAD2A, ... | Authors: | Alfieri, C, Chang, L, Barford, D. | Deposit date: | 2017-11-20 | Release date: | 2018-05-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Mechanism for remodelling of the cell cycle checkpoint protein MAD2 by the ATPase TRIP13. Nature, 559, 2018
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6GVV
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![BU of 6gvv by Molmil](/molmil-images/mine/6gvv) | |
4B75
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![BU of 4b75 by Molmil](/molmil-images/mine/4b75) | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | Descriptor: | (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 | Authors: | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | Deposit date: | 2012-08-16 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function. Nat.Chem.Biol., 8, 2012
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8UOX
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![BU of 8uox by Molmil](/molmil-images/mine/8uox) | Cryo-EM structure of a Counterclockwise locked form of the Salmonella enterica Typhimurium flagellar C-ring, with C34 symmetry applied | Descriptor: | Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ... | Authors: | Johnson, S, Deme, J.C, Lea, S.M. | Deposit date: | 2023-10-20 | Release date: | 2024-01-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis of directional switching by the bacterial flagellum. Nat Microbiol, 9, 2024
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8UMD
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![BU of 8umd by Molmil](/molmil-images/mine/8umd) | Cryo-EM structure of a single subunit of a Counterclockwise-locked form of the Salmonella enterica Typhimurium flagellar C-ring. | Descriptor: | Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ... | Authors: | Johnson, S, Deme, J.C, Lea, S.M. | Deposit date: | 2023-10-17 | Release date: | 2024-01-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of directional switching by the bacterial flagellum. Nat Microbiol, 9, 2024
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1A91
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![BU of 1a91 by Molmil](/molmil-images/mine/1a91) | SUBUNIT C OF THE F1FO ATP SYNTHASE OF ESCHERICHIA COLI; NMR, 10 STRUCTURES | Descriptor: | F1FO ATPASE SUBUNIT C | Authors: | Girvin, M.E, Rastogi, V.K, Abildgaard, F, Markley, J.L, Fillingame, R.H. | Deposit date: | 1998-04-15 | Release date: | 1998-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the transmembrane H+-transporting subunit c of the F1F0 ATP synthase. Biochemistry, 37, 1998
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8UMX
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![BU of 8umx by Molmil](/molmil-images/mine/8umx) | Cryo-EM structure of a single subunit of a Clockwise-locked form of the Salmonella enterica Typhimurium flagellar C-ring. | Descriptor: | Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ... | Authors: | Johnson, S, Deme, J.C, Lea, S.M. | Deposit date: | 2023-10-18 | Release date: | 2024-01-24 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of directional switching by the bacterial flagellum. Nat Microbiol, 9, 2024
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7U0T
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![BU of 7u0t by Molmil](/molmil-images/mine/7u0t) | Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520 | Descriptor: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-02-18 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
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6HQ2
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![BU of 6hq2 by Molmil](/molmil-images/mine/6hq2) | Structure of EAL Enzyme Bd1971 - apo form | Descriptor: | EAL Enzyme Bd1971 | Authors: | Lovering, A.L, Cadby, I.T. | Deposit date: | 2018-09-24 | Release date: | 2019-07-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase. Embo J., 38, 2019
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7U3F
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![BU of 7u3f by Molmil](/molmil-images/mine/7u3f) | GID4 in complex with compound 4 | Descriptor: | (4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine, GLYCEROL, Glucose-induced degradation protein 4 homolog | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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5I7X
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![BU of 5i7x by Molmil](/molmil-images/mine/5i7x) | BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide) | Descriptor: | Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-10-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.1752 Å) | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem., 59, 2016
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5IIP
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![BU of 5iip by Molmil](/molmil-images/mine/5iip) | Staphylococcus aureus OpuCA | Descriptor: | Glycine betaine/carnitine/choline ABC transporter%2C ATP-binding protein%2C putative | Authors: | Tosi, T, Campeotto, I, Freemont, P.S, Grundling, A. | Deposit date: | 2016-03-01 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The second messenger c-di-AMP inhibits the osmolyte uptake system OpuC in Staphylococcus aureus. Sci.Signal., 9, 2016
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7L24
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![BU of 7l24 by Molmil](/molmil-images/mine/7l24) | HPK1 IN COMPLEX WITH COMPOUND 11 | Descriptor: | 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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5HKJ
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![BU of 5hkj by Molmil](/molmil-images/mine/5hkj) | Single Chain Recombinant Globular Head of the Complement System Protein C1q | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1q subcomponent subunit A,Complement C1q subcomponent subunit C,Complement C1q subcomponent subunit B | Authors: | Moreau, C.P, Gaboriaud, C. | Deposit date: | 2016-01-14 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and Functional Characterization of a Single-Chain Form of the Recognition Domain of Complement Protein C1q. Front Immunol, 7, 2016
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5W8T
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![BU of 5w8t by Molmil](/molmil-images/mine/5w8t) | Crystal structure of MERS-CoV papain-like protease in complex with the C-terminal domain of human ISG15 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ORF1ab, Ubiquitin-like protein ISG15, ... | Authors: | Daczkowski, C.M, Goodwin, O.Y, Dzimianski, J.V, Farhat, J.J, Pegan, S.D. | Deposit date: | 2017-06-22 | Release date: | 2017-09-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.758 Å) | Cite: | Structurally Guided Removal of DeISGylase Biochemical Activity from Papain-Like Protease Originating from Middle East Respiratory Syndrome Coronavirus. J. Virol., 91, 2017
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7MM8
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![BU of 7mm8 by Molmil](/molmil-images/mine/7mm8) | Crystal structure of HCV NS3/4A protease in complex with NR02-08 | Descriptor: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4a protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MMJ
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![BU of 7mmj by Molmil](/molmil-images/mine/7mmj) | Crystal structure of HCV NS3/4A D168A protease in complex with NR02-08 | Descriptor: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MM6
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![BU of 7mm6 by Molmil](/molmil-images/mine/7mm6) | |
7MM2
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![BU of 7mm2 by Molmil](/molmil-images/mine/7mm2) | Crystal structure of HCV NS3/4A protease in complex with NR02-61 | Descriptor: | 1,2-ETHANEDIOL, 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4a protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MMF
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![BU of 7mmf by Molmil](/molmil-images/mine/7mmf) | Crystal structure of HCV NS3/4A D168A protease in complex with NR02-60 | Descriptor: | (1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MM7
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![BU of 7mm7 by Molmil](/molmil-images/mine/7mm7) | Crystal structure of HCV NS3/4A protease in complex with NR02-23 | Descriptor: | (2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4a protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.862 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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