7MLF
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![BU of 7mlf by Molmil](/molmil-images/mine/7mlf) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7 | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | Deposit date: | 2021-04-28 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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7MLG
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![BU of 7mlg by Molmil](/molmil-images/mine/7mlg) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63 | Descriptor: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | Deposit date: | 2021-04-28 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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5WC4
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7NFU
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![BU of 7nfu by Molmil](/molmil-images/mine/7nfu) | Crystal structure of C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc | Descriptor: | GLYCEROL, Nucleoid occlusion protein, SULFATE ION | Authors: | Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K. | Deposit date: | 2021-02-07 | Release date: | 2021-02-17 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc. Mol.Cell, 81, 2021
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7NG0
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![BU of 7ng0 by Molmil](/molmil-images/mine/7ng0) | Crystal structure of N- and C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc | Descriptor: | Nucleoid occlusion protein, SULFATE ION | Authors: | Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K. | Deposit date: | 2021-02-08 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc. Mol.Cell, 81, 2021
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5UVL
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![BU of 5uvl by Molmil](/molmil-images/mine/5uvl) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. IUCrJ, 4, 2017
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5VYA
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![BU of 5vya by Molmil](/molmil-images/mine/5vya) | S. cerevisiae Hsp104:casein complex, Extended Conformation | Descriptor: | Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | Deposit date: | 2017-05-24 | Release date: | 2017-07-05 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104. Science, 357, 2017
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5VJH
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![BU of 5vjh by Molmil](/molmil-images/mine/5vjh) | Closed State CryoEM Reconstruction of Hsp104:ATPyS and FITC casein | Descriptor: | FITC casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | Deposit date: | 2017-04-19 | Release date: | 2017-07-05 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104. Science, 357, 2017
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7M4U
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![BU of 7m4u by Molmil](/molmil-images/mine/7m4u) | A. baumannii Ribosome-Eravacycline complex: 30S | Descriptor: | 16s Ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7M4Z
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![BU of 7m4z by Molmil](/molmil-images/mine/7m4z) | A. baumannii Ribosome-Eravacycline complex: hpf-bound 70S | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7LEW
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![BU of 7lew by Molmil](/molmil-images/mine/7lew) | Crystal structure of UBE2G2 in complex with the UBE2G2-binding region of AUP1 | Descriptor: | Lipid droplet-regulating VLDL assembly factor AUP1, Ubiquitin-conjugating enzyme E2 G2 | Authors: | Liang, Y.-H, Smith, C.E, Tsai, Y.C, Weissman, A.M, Ji, X. | Deposit date: | 2021-01-15 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.736 Å) | Cite: | A structurally conserved site in AUP1 binds the E2 enzyme UBE2G2 and is essential for ER-associated degradation. Plos Biol., 19, 2021
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7M4V
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![BU of 7m4v by Molmil](/molmil-images/mine/7m4v) | A. baumannii Ribosome-Eravacycline complex: 50S | Descriptor: | 23s ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7M4X
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![BU of 7m4x by Molmil](/molmil-images/mine/7m4x) | A. baumannii Ribosome-Eravacycline complex: P-site tRNA 70S | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7M4W
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![BU of 7m4w by Molmil](/molmil-images/mine/7m4w) | A. baumannii Ribosome-Eravacycline complex: Empty 70S | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7M4Y
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![BU of 7m4y by Molmil](/molmil-images/mine/7m4y) | A. baumannii Ribosome-Eravacycline complex: E-site tRNA 70S | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2021-03-22 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7LQ6
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![BU of 7lq6 by Molmil](/molmil-images/mine/7lq6) | CryoEM structure of Escherichia coli PBP1b | Descriptor: | Penicillin-binding protein 1B | Authors: | Caveney, N.A, Workman, S.D, Yan, R, Atkinson, C.E, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2021-02-13 | Release date: | 2021-05-26 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | CryoEM structure of the antibacterial target PBP1b at 3.3 angstrom resolution. Nat Commun, 12, 2021
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5UVK
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![BU of 5uvk by Molmil](/molmil-images/mine/5uvk) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | Deposit date: | 2017-02-20 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. Iucrj, 4, 2017
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5VY8
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![BU of 5vy8 by Molmil](/molmil-images/mine/5vy8) | S. cerevisiae Hsp104-ADP complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 104 | Authors: | Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R. | Deposit date: | 2017-05-24 | Release date: | 2017-07-05 | Last modified: | 2018-08-15 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104. Science, 357, 2017
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8FJV
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![BU of 8fjv by Molmil](/molmil-images/mine/8fjv) | Human GAR transformylase in complex with GAR substrate and AGF362 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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3ZT7
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![BU of 3zt7 by Molmil](/molmil-images/mine/3zt7) | GlgE isoform 1 from Streptomyces coelicolor with beta-cyclodextrin and maltose bound | Descriptor: | Cycloheptakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | Deposit date: | 2011-07-01 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target. J.Biol.Chem., 286, 2011
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8FJX
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![BU of 8fjx by Molmil](/molmil-images/mine/8fjx) | Human GAR transformylase in complex with GAR substrate and AGF320 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJY
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![BU of 8fjy by Molmil](/molmil-images/mine/8fjy) | Human GAR transformylase in complex with GAR substrate and AGF291 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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3ZT5
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![BU of 3zt5 by Molmil](/molmil-images/mine/3zt5) | GlgE isoform 1 from Streptomyces coelicolor with maltose bound | Descriptor: | PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S. | Deposit date: | 2011-07-01 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target. J.Biol.Chem., 286, 2011
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8FJW
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![BU of 8fjw by Molmil](/molmil-images/mine/8fjw) | Human GAR transformylase in complex with GAR substrate and AGF347 inhibitor | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | Authors: | Wong-Roushar, J, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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8FJT
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![BU of 8fjt by Molmil](/molmil-images/mine/8fjt) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF362 inhibitor | Descriptor: | GLYCINE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2022-12-20 | Release date: | 2023-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem., 66, 2023
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