6VP2
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![BU of 6vp2 by Molmil](/molmil-images/mine/6vp2) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, AZIDE ION, Streptavidin, ... | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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6B24
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![BU of 6b24 by Molmil](/molmil-images/mine/6b24) | Crystal structure of fluoride channel Fluc Ec2 F80Y Mutant | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, Fluoride ion transporter CrcB, ... | Authors: | Last, N.B, Sun, S, Pham, M.C, Miller, C. | Deposit date: | 2017-09-19 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Molecular determinants of permeation in a fluoride-specific ion channel. Elife, 6, 2017
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6PD7
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![BU of 6pd7 by Molmil](/molmil-images/mine/6pd7) | Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7 | Descriptor: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | Deposit date: | 2019-06-18 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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8PJD
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![BU of 8pjd by Molmil](/molmil-images/mine/8pjd) | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445 | Descriptor: | ACETATE ION, Protein arginine N-methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2023-06-23 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 94-445 To Be Published
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6N79
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![BU of 6n79 by Molmil](/molmil-images/mine/6n79) | Structure of the human JAK1 kinase domain with compound 20 | Descriptor: | GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Lupardus, P.J, Brown, D. | Deposit date: | 2018-11-27 | Release date: | 2019-04-24 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
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6VPD
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![BU of 6vpd by Molmil](/molmil-images/mine/6vpd) | Crystal structure of Trgpx in apo form | Descriptor: | Glutathione peroxidase | Authors: | Adriani, P.P, De Oliveira, G.S, Paiva, F.C.R, Dias, M.V.B, Chambergo, F.S. | Deposit date: | 2020-02-03 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structural and functional characterization of the glutathione peroxidase-like thioredoxin peroxidase from the fungus Trichoderma reesei. Int.J.Biol.Macromol., 167, 2020
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6B2H
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6PDB
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![BU of 6pdb by Molmil](/molmil-images/mine/6pdb) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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4Z7G
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6BBW
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6VJF
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![BU of 6vjf by Molmil](/molmil-images/mine/6vjf) | The P-Loop K to A mutation of C. therm Vps1 GTPase-BSE | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Putative sorting protein Vps1 | Authors: | Tornabene, B.A, Varlakhanova, N.V, Chappie, J.S, Ford, M.G.J. | Deposit date: | 2020-01-15 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.472 Å) | Cite: | Structural and functional characterization of the dominant negative P-loop lysine mutation in the dynamin superfamily protein Vps1. Protein Sci., 29, 2020
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8PG7
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![BU of 8pg7 by Molmil](/molmil-images/mine/8pg7) | Crystal structure of the metallo-beta-lactamase VIM1 with 2755 | Descriptor: | 7-[(1~{S})-1-[3-(4-azanylbutyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2755 To Be Published
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6PDD
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![BU of 6pdd by Molmil](/molmil-images/mine/6pdd) | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-06-18 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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6VJX
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8PGO
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![BU of 8pgo by Molmil](/molmil-images/mine/8pgo) | Crystal structure of the metallo-beta-lactamase VIM1 with 3183 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3183 To Be Published
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6PAU
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4Z8J
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8PNA
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6N8E
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![BU of 6n8e by Molmil](/molmil-images/mine/6n8e) | Crystal structure of holo-ObiF1, a five domain nonribosomal peptide synthetase from Burkholderia diffusa | Descriptor: | 4'-PHOSPHOPANTETHEINE, 4-(4-nitrophenyl)-L-threonine, CHLORIDE ION, ... | Authors: | Kreitler, D.F, Wencewicz, T.A, Gulick, A.M. | Deposit date: | 2018-11-29 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structural basis of N-acyl-alpha-amino-beta-lactone formation catalyzed by a nonribosomal peptide synthetase. Nat Commun, 10, 2019
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8PJY
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7TJ0
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![BU of 7tj0 by Molmil](/molmil-images/mine/7tj0) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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8D3G
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8PNO
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7OC9
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8D3O
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