5S5D
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![BU of 5s5d by Molmil](/molmil-images/mine/5s5d) | Tubulin-Z32400357-complex | Descriptor: | 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7B8U
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![BU of 7b8u by Molmil](/molmil-images/mine/7b8u) | Notum-Fragment 201 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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5S5C
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![BU of 5s5c by Molmil](/molmil-images/mine/5s5c) | Tubulin-Z44592329-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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6JKS
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![BU of 6jks by Molmil](/molmil-images/mine/6jks) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with carbamoyl phosphate (CP) and aspartate (Asp) | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, putative, ... | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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5S5B
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![BU of 5s5b by Molmil](/molmil-images/mine/5s5b) | Tubulin-Z906021418-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, CALCIUM ION, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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2Y80
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![BU of 2y80 by Molmil](/molmil-images/mine/2y80) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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5S5G
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![BU of 5s5g by Molmil](/molmil-images/mine/5s5g) | Tubulin-Z1129283193-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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4WYW
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![BU of 4wyw by Molmil](/molmil-images/mine/4wyw) | Mutant K20E of 3D polymerase from Foot-and-Mouth Disease Virus | Descriptor: | ACETATE ION, GLYCEROL, RNA-directed RNA polymerase 3D-POL, ... | Authors: | Ferrer-Orta, C, Verdaguer, N, de la Higuera, I, Domingo, E. | Deposit date: | 2014-11-18 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition. J.Virol., 89, 2015
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1U3R
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![BU of 1u3r by Molmil](/molmil-images/mine/1u3r) | Crystal Structure of Estrogen Receptor beta complexed with WAY-338 | Descriptor: | 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1 | Authors: | Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | Deposit date: | 2004-07-22 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J.Med.Chem., 47, 2004
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5S5E
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![BU of 5s5e by Molmil](/molmil-images/mine/5s5e) | Tubulin-Z1515654336-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, CALCIUM ION, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7B8O
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![BU of 7b8o by Molmil](/molmil-images/mine/7b8o) | Notum-Fragment 199 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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5S5A
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![BU of 5s5a by Molmil](/molmil-images/mine/5s5a) | Tubulin-Z1449748885-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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6GLY
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![BU of 6gly by Molmil](/molmil-images/mine/6gly) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299A | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | Deposit date: | 2018-05-24 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystallographic and spectroscopic assignment of the proton transfer pathway in [FeFe]-hydrogenases. Nat Commun, 9, 2018
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5S5F
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![BU of 5s5f by Molmil](/molmil-images/mine/5s5f) | Tubulin-Z87615031-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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5S5H
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![BU of 5s5h by Molmil](/molmil-images/mine/5s5h) | Tubulin-Z2074076908-complex | Descriptor: | 1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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5S5I
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![BU of 5s5i by Molmil](/molmil-images/mine/5s5i) | Tubulin-Z295848548-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine, CALCIUM ION, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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6GU7
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![BU of 6gu7 by Molmil](/molmil-images/mine/6gu7) | CDK1/Cks2 in complex with AZD5438 | Descriptor: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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1U7T
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![BU of 1u7t by Molmil](/molmil-images/mine/1u7t) | Crystal Structure of ABAD/HSD10 with a Bound Inhibitor | Descriptor: | 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT, 3-hydroxyacyl-CoA dehydrogenase type II, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Kissinger, C.R, Rejto, P.A, Pelletier, L.A, Showalter, R.E, Villafranca, J.E. | Deposit date: | 2004-08-04 | Release date: | 2004-10-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human ABAD/HSD10 with a bound inhibitor: implications for design of Alzheimer's disease therapeutics J.Mol.Biol., 342, 2004
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5S5J
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![BU of 5s5j by Molmil](/molmil-images/mine/5s5j) | Tubulin-Z1148747945-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7B8N
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![BU of 7b8n by Molmil](/molmil-images/mine/7b8n) | Notum-Fragment 197 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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5S5M
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![BU of 5s5m by Molmil](/molmil-images/mine/5s5m) | Tubulin-Z45527714-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-methylbenzene-1-sulfonamide, CALCIUM ION, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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5S5N
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![BU of 5s5n by Molmil](/molmil-images/mine/5s5n) | Tubulin-Z165170770-complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | Deposit date: | 2020-11-08 | Release date: | 2021-06-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Comprehensive Analysis of Binding Sites in Tubulin. Angew.Chem.Int.Ed.Engl., 60, 2021
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6WVL
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![BU of 6wvl by Molmil](/molmil-images/mine/6wvl) | Low curvature lateral interaction within a 13-protofilament, Taxol stabilized microtubule | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V. | Deposit date: | 2020-05-06 | Release date: | 2020-05-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy. Proc.Natl.Acad.Sci.USA, 117, 2020
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5LUB
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![BU of 5lub by Molmil](/molmil-images/mine/5lub) | Crystal structure of human legumain (AEP) in complex with compound 11 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, ... | Authors: | Dall, E, Ye, K, Brandstetter, H. | Deposit date: | 2016-09-08 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease. Nat Commun, 8, 2017
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5W8P
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![BU of 5w8p by Molmil](/molmil-images/mine/5w8p) | Homoserine transacetylase MetX from Mycobacterium abscessus | Descriptor: | GLYCEROL, Homoserine O-acetyltransferase, PHOSPHATE ION, ... | Authors: | Rodriguez, E.S, Reed, R.W, Korotkov, K.V. | Deposit date: | 2017-06-22 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site. Sci Rep, 9, 2019
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