7YUE
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![BU of 7yue by Molmil](/molmil-images/mine/7yue) | Epitope-directed anti-SARS CoV 2 scFv engineered against the key spike protein region. | Descriptor: | Single chain variable Fragment, Spike protein S2 | Authors: | Kumar, U, Jaiswal, D, Gaur, V, Salunke, D.M. | Deposit date: | 2022-08-17 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Epitope-directed anti-SARS-CoV-2 scFv engineered against the key spike protein region could block membrane fusion. Protein Sci., 32, 2023
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7YTU
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7YMR
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![BU of 7ymr by Molmil](/molmil-images/mine/7ymr) | Complex structure of lysoplasmalogen specific phopholipase D, F211L mutant with LPC | Descriptor: | Lysoplasmalogenase, [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{5}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate | Authors: | Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H. | Deposit date: | 2022-07-29 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668. Biosci.Biotechnol.Biochem., 87, 2022
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7Z9G
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![BU of 7z9g by Molmil](/molmil-images/mine/7z9g) | E.coli gyrase holocomplex with 217 bp DNA and Albi-2 | Descriptor: | 4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | Authors: | Ghilarov, D, Heddle, J.G.H. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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7Z9M
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![BU of 7z9m by Molmil](/molmil-images/mine/7z9m) | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site AA) | Descriptor: | 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | Authors: | Ghilarov, D, Heddle, J.G.H. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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7YTT
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![BU of 7ytt by Molmil](/molmil-images/mine/7ytt) | |
7Z9C
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![BU of 7z9c by Molmil](/molmil-images/mine/7z9c) | E.coli gyrase holocomplex with 217 bp DNA and albicidin | Descriptor: | DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*CP*TP*GP*TP*GP*CP*GP*GP*GP*T)-3'), ... | Authors: | Ghilarov, D, Heddle, J.G.H, Suessmuth, R. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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7YMP
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![BU of 7ymp by Molmil](/molmil-images/mine/7ymp) | Crystal structure of lysoplasmalogen specific phospholipase D | Descriptor: | Lysoplasmalogenase | Authors: | Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H. | Deposit date: | 2022-07-29 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668. Biosci.Biotechnol.Biochem., 87, 2022
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7YXF
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![BU of 7yxf by Molmil](/molmil-images/mine/7yxf) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-02-16 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7Z9K
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![BU of 7z9k by Molmil](/molmil-images/mine/7z9k) | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site TG) | Descriptor: | 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | Authors: | Ghilarov, D, Heddle, J.G.H. | Deposit date: | 2022-03-21 | Release date: | 2023-03-08 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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7Z5F
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![BU of 7z5f by Molmil](/molmil-images/mine/7z5f) | VP2-only capsid of MVM D263A mutant | Descriptor: | Capsid protein VP1 | Authors: | Luque, D, Ortega-Esteban, A, Valbuena, A, Vilas, J.L, Rodriguez-Huete, A, Mateu, M.G, Caston, J.R. | Deposit date: | 2022-03-09 | Release date: | 2023-03-08 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Equilibrium Dynamics of a Biomolecular Complex Analyzed at Single-amino Acid Resolution by Cryo-electron Microscopy. J.Mol.Biol., 435, 2023
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7Z5E
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![BU of 7z5e by Molmil](/molmil-images/mine/7z5e) | VP2-only capsid of MVM D263A mutant | Descriptor: | Capsid protein VP1 | Authors: | Luque, D, Ortega-Esteban, A, Valbuena, A, Vilas, J.L, Rodriguez-Huete, A, Mateu, M.G, Caston, J.R. | Deposit date: | 2022-03-09 | Release date: | 2023-03-08 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Equilibrium Dynamics of a Biomolecular Complex Analyzed at Single-amino Acid Resolution by Cryo-electron Microscopy. J.Mol.Biol., 435, 2023
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7Z5D
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![BU of 7z5d by Molmil](/molmil-images/mine/7z5d) | VP2-only capsid of wt MVM prototype strain p | Descriptor: | Capsid protein VP1 | Authors: | Luque, D, Ortega-Esteban, A, Valbuena, A, Vilas, J.L, Rodriguez-Huete, A, Mateu, M.G, Caston, J.R. | Deposit date: | 2022-03-09 | Release date: | 2023-03-08 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Equilibrium Dynamics of a Biomolecular Complex Analyzed at Single-amino Acid Resolution by Cryo-electron Microscopy. J.Mol.Biol., 435, 2023
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7Z6G
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7Z6J
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![BU of 7z6j by Molmil](/molmil-images/mine/7z6j) | |
7Z3U
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![BU of 7z3u by Molmil](/molmil-images/mine/7z3u) | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z7W
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![BU of 7z7w by Molmil](/molmil-images/mine/7z7w) | REP-related Chom18 variant with double GC base pairing | Descriptor: | Chom18-GC DNA, STRONTIUM ION | Authors: | Svoboda, J, Schneider, B, Berdar, D, Kolenko, P. | Deposit date: | 2022-03-16 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Conformation-based refinement of 18-mer DNA structures. Acta Crystallogr D Struct Biol, 79, 2023
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7Z82
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![BU of 7z82 by Molmil](/molmil-images/mine/7z82) | REP-related Chom18 variant with double AG mismatch | Descriptor: | Chom18-AG DNA, STRONTIUM ION | Authors: | Svoboda, J, Kolenko, P, Berdar, D, Schneider, B. | Deposit date: | 2022-03-16 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Conformation-based refinement of 18-mer DNA structures. Acta Crystallogr D Struct Biol, 79, 2023
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7Z2K
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![BU of 7z2k by Molmil](/molmil-images/mine/7z2k) | Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-02-28 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections To Be Published
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7Z58
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![BU of 7z58 by Molmil](/molmil-images/mine/7z58) | Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | Descriptor: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z7Z
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![BU of 7z7z by Molmil](/molmil-images/mine/7z7z) | REP-related Chom18 variant with double TA base pair | Descriptor: | Chom18-TA DNA, STRONTIUM ION | Authors: | Svoboda, J, Schneider, B, Berdar, D, Kolenko, P. | Deposit date: | 2022-03-16 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformation-based refinement of 18-mer DNA structures. Acta Crystallogr D Struct Biol, 79, 2023
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7Z3T
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![BU of 7z3t by Molmil](/molmil-images/mine/7z3t) | Crystal structure of apo human Cathepsin L | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z7K
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![BU of 7z7k by Molmil](/molmil-images/mine/7z7k) | REP-related Chom18 variant with double AT base pairing | Descriptor: | Chom18-AT DNA, STRONTIUM ION | Authors: | Svoboda, J, Schneider, B, Berdar, D, Kolenko, P. | Deposit date: | 2022-03-16 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformation-based refinement of 18-mer DNA structures. Acta Crystallogr D Struct Biol, 79, 2023
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7Z6D
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![BU of 7z6d by Molmil](/molmil-images/mine/7z6d) | |
7Z7M
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![BU of 7z7m by Molmil](/molmil-images/mine/7z7m) | REP-related Chom18 variant with double CC mismatch | Descriptor: | Chom18-CC DNA, STRONTIUM ION | Authors: | Svoboda, J, Schneider, B, Berdar, D, Kolenko, P. | Deposit date: | 2022-03-16 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conformation-based refinement of 18-mer DNA structures. Acta Crystallogr D Struct Biol, 79, 2023
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