7GRN
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![BU of 7grn by Molmil](/molmil-images/mine/7grn) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-10 | Descriptor: | 2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRV
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![BU of 7grv by Molmil](/molmil-images/mine/7grv) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-18 | Descriptor: | (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRS
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![BU of 7grs by Molmil](/molmil-images/mine/7grs) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-15 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, SODIUM ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GS1
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![BU of 7gs1 by Molmil](/molmil-images/mine/7gs1) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-24 | Descriptor: | 2-cyano-~{N}-cyclohexyl-ethanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7PCK
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![BU of 7pck by Molmil](/molmil-images/mine/7pck) | |
7GS0
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![BU of 7gs0 by Molmil](/molmil-images/mine/7gs0) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-23 | Descriptor: | (pyridin-2-yl)(quinolin-2-yl)methanone, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRF
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![BU of 7grf by Molmil](/molmil-images/mine/7grf) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-2 | Descriptor: | 3C-like proteinase nsp5, 5-bromopyridin-3-amine, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRJ
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![BU of 7grj by Molmil](/molmil-images/mine/7grj) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-6 | Descriptor: | (5-chloro-1-benzothiophen-3-yl)methanol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRW
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![BU of 7grw by Molmil](/molmil-images/mine/7grw) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-19 | Descriptor: | (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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7GRX
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![BU of 7grx by Molmil](/molmil-images/mine/7grx) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-20 | Descriptor: | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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4ZDJ
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![BU of 4zdj by Molmil](/molmil-images/mine/4zdj) | Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with two UTP molecules | Descriptor: | CTP synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Bellinzoni, M, Barilone, N, Alzari, P.M. | Deposit date: | 2015-04-17 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG. Chem.Biol., 22, 2015
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7GRU
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![BU of 7gru by Molmil](/molmil-images/mine/7gru) | Crystal structure of SARS-CoV-2 main protease in complex with cpd-17 | Descriptor: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | Deposit date: | 2023-11-14 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket. Acta Crystallogr D Struct Biol, 80, 2024
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6AH5
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![BU of 6ah5 by Molmil](/molmil-images/mine/6ah5) | Structure of human P2X3 receptor in complex with ATP and Mg2+ ion | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Hattori, M. | Deposit date: | 2018-08-16 | Release date: | 2019-06-12 | Last modified: | 2020-12-23 | Method: | X-RAY DIFFRACTION (3.819 Å) | Cite: | Molecular mechanisms of human P2X3 receptor channel activation and modulation by divalent cation bound ATP. Elife, 8, 2019
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6AI2
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![BU of 6ai2 by Molmil](/molmil-images/mine/6ai2) | |
6AI1
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![BU of 6ai1 by Molmil](/molmil-images/mine/6ai1) | |
8BDC
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![BU of 8bdc by Molmil](/molmil-images/mine/8bdc) | Human apo TRPM8 in a closed state (composite map) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Palchevskyi, S, Czarnocki-Cieciura, M, Vistoli, G, Gervasoni, S, Nowak, E, Beccari, A.R, Nowotny, M, Talarico, C. | Deposit date: | 2022-10-19 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Structure of human TRPM8 channel. Commun Biol, 6, 2023
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5ZRO
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![BU of 5zro by Molmil](/molmil-images/mine/5zro) | M. smegmatis antimutator protein MutT2 in complex with 5mdCTP | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), Putative mutator protein MutT2/NUDIX hydrolase | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | Deposit date: | 2018-04-24 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2. J.Struct.Biol., 204, 2018
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6RZX
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![BU of 6rzx by Molmil](/molmil-images/mine/6rzx) | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | Descriptor: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2019-06-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
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7Z8O
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![BU of 7z8o by Molmil](/molmil-images/mine/7z8o) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | Descriptor: | 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ... | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | Deposit date: | 2022-03-18 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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8S3C
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![BU of 8s3c by Molmil](/molmil-images/mine/8s3c) | Crystal structure of Medicago truncatula glutamate dehydrogenase 2 (unliganded) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Grzechowiak, M, Ruszkowski, M. | Deposit date: | 2024-02-19 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Legume-type glutamate dehydrogenase: Structure, activity, and inhibition studies. Int.J.Biol.Macromol., 278, 2024
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7PLA
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![BU of 7pla by Molmil](/molmil-images/mine/7pla) | |
7PLH
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![BU of 7plh by Molmil](/molmil-images/mine/7plh) | Scytonema hofmannii TnsC bound to AMPPNP and DNA | Descriptor: | DNA (5'-D(P*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*AP*T)-3'), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Querques, I, Jinek, M. | Deposit date: | 2021-08-31 | Release date: | 2021-12-01 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Target site selection and remodelling by type V CRISPR-transposon systems. Nature, 599, 2021
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6RZT
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![BU of 6rzt by Molmil](/molmil-images/mine/6rzt) | Structure of s-Mgm1 decorating the outer surface of tubulated lipid membranes | Descriptor: | Putative mitochondrial dynamin protein | Authors: | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuehlbrandt, W, Daumke, O. | Deposit date: | 2019-06-13 | Release date: | 2019-07-24 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (14.7 Å) | Cite: | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
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4JYJ
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![BU of 4jyj by Molmil](/molmil-images/mine/4jyj) | Crystal Structure of putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans DSM 12444 | Descriptor: | Enoyl-CoA hydratase/isomerase, UNKNOWN LIGAND | Authors: | Cooper, D.R, Porebski, P.J, Domagalski, M.J, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Zimmerman, M, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-03-29 | Release date: | 2013-05-29 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of putative enoyl-CoA hydratase/isomerase from Novosphingobium aromaticivorans DSM 12444 To be Published
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1WV5
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![BU of 1wv5 by Molmil](/molmil-images/mine/1wv5) | X-ray structure of the A-decamer GCGTATACGC with a single 2'-o-butyl thymine in place of T6, Mg-form | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(2BT)P*AP*CP*GP*C)-3', MAGNESIUM ION | Authors: | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharam, M. | Deposit date: | 2004-12-11 | Release date: | 2005-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Probing the influence of stereoelectronic effects on the biophysical properties of oligonucleotides: comprehensive analysis of the RNA affinity, nuclease resistance, and crystal structure of ten 2'-O-ribonucleic acid modifications. Biochemistry, 44, 2005
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