7SMR
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![BU of 7smr by Molmil](/molmil-images/mine/7smr) | Cryo-EM structure of Torpedo acetylcholine receptor in complex with carbachol, desensitized state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | Deposit date: | 2021-10-26 | Release date: | 2022-03-09 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Structural mechanism of muscle nicotinic receptor desensitization and block by curare. Nat.Struct.Mol.Biol., 29, 2022
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5LGX
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7SMM
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![BU of 7smm by Molmil](/molmil-images/mine/7smm) | Cryo-EM structure of Torpedo acetylcholine receptor in apo form | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | Deposit date: | 2021-10-26 | Release date: | 2022-03-09 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural mechanism of muscle nicotinic receptor desensitization and block by curare. Nat.Struct.Mol.Biol., 29, 2022
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7SMQ
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![BU of 7smq by Molmil](/molmil-images/mine/7smq) | Cryo-EM structure of Torpedo acetylcholine receptor in apo form with added cholesterol | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | Deposit date: | 2021-10-26 | Release date: | 2022-03-09 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mechanism of muscle nicotinic receptor desensitization and block by curare. Nat.Struct.Mol.Biol., 29, 2022
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5LLG
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![BU of 5llg by Molmil](/molmil-images/mine/5llg) | Crystal structure of human carbonic anhydrase isozyme II with 4-Propylthiobenzenesulfonamide | Descriptor: | 4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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6Q3B
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![BU of 6q3b by Molmil](/molmil-images/mine/6q3b) | CDK2 in complex with FragLite2 | Descriptor: | 4-IODOPYRAZOLE, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-04 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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5LLP
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![BU of 5llp by Molmil](/molmil-images/mine/5llp) | Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | Descriptor: | 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-28 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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6Q49
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![BU of 6q49 by Molmil](/molmil-images/mine/6q49) | CDK2 in complex with FragLite6 | Descriptor: | 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4G
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![BU of 6q4g by Molmil](/molmil-images/mine/6q4g) | CDK2 in complex with FragLite37 | Descriptor: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6YDD
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![BU of 6ydd by Molmil](/molmil-images/mine/6ydd) | X-ray structure of LPMO. | Descriptor: | COPPER (II) ION, LPMO lytic polysaccharide monooxygenase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L. | Deposit date: | 2020-03-20 | Release date: | 2020-09-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases. Biochemistry, 59, 2020
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6GOE
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![BU of 6goe by Molmil](/molmil-images/mine/6goe) | KRAS full length G12V GPPNHP | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2018-06-01 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7ROY
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![BU of 7roy by Molmil](/molmil-images/mine/7roy) | The structure of the Fem1B:FNIP1 complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Folliculin-interacting protein 1, Protein fem-1 homolog B, ... | Authors: | Gee, C.L, Mena, E.L, Manford, A.G, Rape, M. | Deposit date: | 2021-08-02 | Release date: | 2021-10-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis and regulation of the reductive stress response. Cell, 184, 2021
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5LSL
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![BU of 5lsl by Molmil](/molmil-images/mine/5lsl) | Crystal structure of yeast Hsh49p in complex with Cus1p binding domain. | Descriptor: | Cold sensitive U2 snRNA suppressor 1, Protein HSH49 | Authors: | van Roon, A.M, Obayashi, E, Sposito, B, Oubridge, C, Nagai, K. | Deposit date: | 2016-09-02 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of U2 snRNP SF3b components: Hsh49p in complex with Cus1p-binding domain. RNA, 23, 2017
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6C9J
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![BU of 6c9j by Molmil](/molmil-images/mine/6c9j) | AMP-activated protein kinase bound to pharmacological activator R734 | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Brunzelle, J.S, Hitoshi, Y, Griffin, P.R, Xu, H.E, Melcher, K. | Deposit date: | 2018-01-26 | Release date: | 2018-11-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states. J. Biol. Chem., 294, 2019
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6PZ0
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![BU of 6pz0 by Molmil](/molmil-images/mine/6pz0) | Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and L-Tyrosine | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, TYROSINE, ... | Authors: | Sun, Z, Kavran, J.M, Rokita, S.E. | Deposit date: | 2019-07-31 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana. J.Biol.Chem., 297, 2021
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4ZTT
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![BU of 4ztt by Molmil](/molmil-images/mine/4ztt) | Crystal structures of ferritin mutants reveal diferric-peroxo intermediates | Descriptor: | Bacterial non-heme ferritin, FE (II) ION, FE (III) ION, ... | Authors: | Kim, S, Park, Y.H, Jung, S.W, Seok, J.H, Chung, Y.B, Lee, D.B, Gowda, G, Lee, J.H, Han, H.R, Cho, A.E, Lee, C, Chung, M.S, Kim, K.H. | Deposit date: | 2015-05-15 | Release date: | 2016-06-15 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Basis of Novel Iron-Uptake Route and Reaction Intermediates in Ferritins from Gram-Negative Bacteria. J. Mol. Biol., 428, 2016
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8I2G
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![BU of 8i2g by Molmil](/molmil-images/mine/8i2g) | FSHR-Follicle stimulating hormone-compound 716340-Gs complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E. | Deposit date: | 2023-01-14 | Release date: | 2023-03-29 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor. Nat Commun, 14, 2023
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8AT3
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![BU of 8at3 by Molmil](/molmil-images/mine/8at3) | Structure of the augmin holocomplex in open conformation | Descriptor: | HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ... | Authors: | Zupa, E, Pfeffer, S. | Deposit date: | 2022-08-22 | Release date: | 2022-09-28 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (33 Å) | Cite: | The augmin complex architecture reveals structural insights into microtubule branching. Nat Commun, 13, 2022
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7U9I
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![BU of 7u9i by Molmil](/molmil-images/mine/7u9i) | Co-crystal structure of human CARM1 in complex with MT556 inhibitor | Descriptor: | 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-10 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human CARM1 in complex with MT556 inhibitor To Be Published
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8AT4
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![BU of 8at4 by Molmil](/molmil-images/mine/8at4) | Structure of the augmin holocomplex in closed conformation | Descriptor: | HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ... | Authors: | Zupa, E, Pfeffer, S. | Deposit date: | 2022-08-22 | Release date: | 2022-09-28 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (33 Å) | Cite: | The augmin complex architecture reveals structural insights into microtubule branching. Nat Commun, 13, 2022
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8T8B
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![BU of 8t8b by Molmil](/molmil-images/mine/8t8b) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site aminoacyl-tRNA analog ACC-PMN, and P-site formyl-MAI-tripeptidyl-tRNA analog ACCA-IAMf at 2.65A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | Authors: | Thaler, J, Syroegin, E.A, Breuker, K, Polikanov, Y.S, Micura, R. | Deposit date: | 2023-06-22 | Release date: | 2023-07-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Practical Synthesis of N -Formylmethionylated Peptidyl-tRNA Mimics. Acs Chem.Biol., 18, 2023
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6YOE
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![BU of 6yoe by Molmil](/molmil-images/mine/6yoe) | Structure of Lysozyme from SiN IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ... | Authors: | Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M. | Deposit date: | 2020-04-14 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography. Iucrj, 7, 2020
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5H2J
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![BU of 5h2j by Molmil](/molmil-images/mine/5h2j) | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 290 ns after photoexcitation | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | Deposit date: | 2016-10-15 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin Science, 354, 2016
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6Y8N
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![BU of 6y8n by Molmil](/molmil-images/mine/6y8n) | Mycobacterium thermoresistibile GyrB21 in complex with Redx03863 | Descriptor: | 1,2-ETHANEDIOL, 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, ... | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | Deposit date: | 2020-03-05 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase. J.Antimicrob.Chemother., 75, 2020
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6G4O
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![BU of 6g4o by Molmil](/molmil-images/mine/6g4o) | Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 1 | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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