8GKT
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![BU of 8gkt by Molmil](/molmil-images/mine/8gkt) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF320 inhibitor | 分子名称: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], 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, Serine hydroxymethyltransferase, ... | 著者 | Katinas, J.M, Dann III, C.E. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8GKU
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![BU of 8gku by Molmil](/molmil-images/mine/8gku) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF355 inhibitor | 分子名称: | GLYCINE, N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Katinas, J.M, Dann III, C.E. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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7UCR
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![BU of 7ucr by Molmil](/molmil-images/mine/7ucr) | Joint X-ray/neutron structure of the Sarcin-Ricin loop RNA | 分子名称: | SULFATE ION, Sarcin-Ricin loop RNA | 著者 | Harp, J.M, Egli, M.E, Pallan, P.S, Coates, L. | 登録日 | 2022-03-17 | 公開日 | 2022-07-20 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION | 主引用文献 | Cryo neutron crystallography demonstrates influence of RNA 2'-OH orientation on conformation, sugar pucker and water structure. Nucleic Acids Res., 50, 2022
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8GKW
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![BU of 8gkw by Molmil](/molmil-images/mine/8gkw) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF359 inhibitor | 分子名称: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Katinas, J.M, Dann III, C.E. | 登録日 | 2023-03-20 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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5FEP
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![BU of 5fep by Molmil](/molmil-images/mine/5fep) | HydE from T. maritima in complex with (2R,4R)-MeTDA | 分子名称: | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | 著者 | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | 登録日 | 2015-12-17 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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7UKS
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![BU of 7uks by Molmil](/molmil-images/mine/7uks) | Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15) | 分子名称: | 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine, Son of sevenless homolog 1 | 著者 | Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A. | 登録日 | 2022-04-01 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction. J.Med.Chem., 65, 2022
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7UKR
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![BU of 7ukr by Molmil](/molmil-images/mine/7ukr) | Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction | 分子名称: | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile, Son of sevenless homolog 1 | 著者 | Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A. | 登録日 | 2022-04-01 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction. J.Med.Chem., 65, 2022
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5FQJ
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![BU of 5fqj by Molmil](/molmil-images/mine/5fqj) | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog) | 分子名称: | 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | 登録日 | 2015-12-11 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.271 Å) | 主引用文献 | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQI
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![BU of 5fqi by Molmil](/molmil-images/mine/5fqi) | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | 登録日 | 2015-12-11 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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6RS0
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![BU of 6rs0 by Molmil](/molmil-images/mine/6rs0) | GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3S,4R,5R)-1-(2-(Benzyloxy)ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol | 分子名称: | (2~{S},3~{S},4~{R})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | 著者 | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | 登録日 | 2019-05-20 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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7T8Z
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![BU of 7t8z by Molmil](/molmil-images/mine/7t8z) | Structure of Class A sortase from Streptococcus pyogenes bound to lipid II mimetic, LPATA: Thr-out conformation | 分子名称: | ACE-ALA-ZGL-LYS-DAL-DAL, BE2-LEU-PRO-ALA-THR-ALA-ALA, Sortase | 著者 | Piper, I.M, Antos, J.M, Amacher, J.F. | 登録日 | 2021-12-17 | 公開日 | 2022-09-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
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7SZ2
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5FCC
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![BU of 5fcc by Molmil](/molmil-images/mine/5fcc) | Structure of HutD from Pseudomonas fluorescens SBW25 (NaCl condition) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, HutD, ... | 著者 | Johnston, J.M, Gerth, M.L, Baker, E.N, Lott, J.S, Rainey, P.B. | 登録日 | 2015-12-15 | 公開日 | 2017-01-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structure of HutD from Pseudomonas fluorescens To Be Published
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5FFF
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5FES
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![BU of 5fes by Molmil](/molmil-images/mine/5fes) | HydE from T. maritima in complex with (2R,4R)-MeSeTDA | 分子名称: | (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | 著者 | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | 登録日 | 2015-12-17 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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5FF2
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![BU of 5ff2 by Molmil](/molmil-images/mine/5ff2) | HydE from T. maritima in complex with (2R,4R)-TDA | 分子名称: | (2~{R},4~{R})-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | 著者 | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | 登録日 | 2015-12-17 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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5FGW
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![BU of 5fgw by Molmil](/molmil-images/mine/5fgw) | Structure of Sda1 nuclease with bound zinc ion | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C. | 登録日 | 2015-12-21 | 公開日 | 2016-03-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes. Nucleic Acids Res., 44, 2016
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7SZ3
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5FOJ
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![BU of 5foj by Molmil](/molmil-images/mine/5foj) | Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody | 分子名称: | Nanobody, RNA2 polyprotein | 著者 | Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P. | 登録日 | 2015-11-22 | 公開日 | 2016-01-20 | 最終更新日 | 2021-08-11 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss. Proc.Natl.Acad.Sci.USA, 2020
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5HOO
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7UGW
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![BU of 7ugw by Molmil](/molmil-images/mine/7ugw) | M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin | 分子名称: | DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ... | 著者 | Hauk, G, Imai, Y, Lewis, K, Berger, J.M. | 登録日 | 2022-03-25 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis. Nat.Chem.Biol., 18, 2022
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5FEW
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![BU of 5few by Molmil](/molmil-images/mine/5few) | HydE from T. maritima in complex with S-adenosyl-L-cysteine (final product) | 分子名称: | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | 著者 | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | 登録日 | 2015-12-17 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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5FF3
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![BU of 5ff3 by Molmil](/molmil-images/mine/5ff3) | HydE from T. maritima in complex with 4R-TCA | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | 登録日 | 2015-12-17 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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5FLM
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![BU of 5flm by Molmil](/molmil-images/mine/5flm) | Structure of transcribing mammalian RNA polymerase II | 分子名称: | DNA, DNA-RNA ELONGATION SCAFFOLD, DNA-DIRECTED RNA POLYMERASE, ... | 著者 | Bernecky, C, Herzog, F, Baumeister, W, Plitzko, J.M, Cramer, P. | 登録日 | 2015-10-26 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure of Transcribing Mammalian RNA Polymerase II Nature, 529, 2016
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5FEU
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