6ZAK
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![BU of 6zak by Molmil](/molmil-images/mine/6zak) | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. | 分子名称: | Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ... | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | 登録日 | 2020-06-05 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. To Be Published
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6Y0O
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![BU of 6y0o by Molmil](/molmil-images/mine/6y0o) | isopenicillin N synthase in complex with ACV and Fe under anaerobic environment using FT-SSX methods | 分子名称: | Anaerobic Fixed Target Structure of Isopenicillin N synthase in complex with Fe and ACV, FE (III) ION, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | 登録日 | 2020-02-10 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Anaerobic fixed-target serial crystallography. Iucrj, 7, 2020
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7ZOE
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8BAY
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![BU of 8bay by Molmil](/molmil-images/mine/8bay) | Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | 分子名称: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | 著者 | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | 登録日 | 2022-10-12 | 公開日 | 2022-11-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2. J.Biol.Chem., 299, 2023
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8BBC
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8BBA
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8BB9
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8BSY
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8BSX
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8BSW
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8BSV
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6ZW8
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![BU of 6zw8 by Molmil](/molmil-images/mine/6zw8) | Isopenicillin N synthase in complex with Cd and ACV. | 分子名称: | CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ... | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | 登録日 | 2020-07-27 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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8A4G
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8ALJ
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8ALI
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8BBD
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8BBB
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7PJN
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![BU of 7pjn by Molmil](/molmil-images/mine/7pjn) | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B | 分子名称: | (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ... | 著者 | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. | 登録日 | 2021-08-24 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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7PJM
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![BU of 7pjm by Molmil](/molmil-images/mine/7pjm) | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. | 登録日 | 2021-08-24 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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4OKZ
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![BU of 4okz by Molmil](/molmil-images/mine/4okz) | Selinadiene Synthase in complex with dihydrofarnesyl pyrophosphate | 分子名称: | (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl trihydrogen diphosphate, MAGNESIUM ION, Terpene synthase metal-binding domain-containing protein | 著者 | Baer, P, Rabe, P, Fischer, K, Citron, C.A, Klapschinski, T, Groll, M, Dickschat, J.S. | 登録日 | 2014-01-23 | 公開日 | 2014-06-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Induced-fit mechanism in class i terpene cyclases. Angew.Chem.Int.Ed.Engl., 53, 2014
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4OKM
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![BU of 4okm by Molmil](/molmil-images/mine/4okm) | Selinadiene Synthase apo and in complex with diphosphate | 分子名称: | MAGNESIUM ION, PYROPHOSPHATE, Terpene synthase metal-binding domain-containing protein | 著者 | Baer, P, Rabe, P, Fischer, K, Citron, C.A, Klapschinski, T, Groll, M, Dickschat, J.S. | 登録日 | 2014-01-22 | 公開日 | 2014-06-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Induced-fit mechanism in class i terpene cyclases. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MC3
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![BU of 4mc3 by Molmil](/molmil-images/mine/4mc3) | Hedycaryol synthase in complex with Nerolidol | 分子名称: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, Putative sesquiterpene cyclase | 著者 | Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J. | 登録日 | 2013-08-21 | 公開日 | 2014-01-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism. Chembiochem, 15, 2014
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4MC8
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![BU of 4mc8 by Molmil](/molmil-images/mine/4mc8) | Hedycaryol synthase in complex with HEPES | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Putative sesquiterpene cyclase | 著者 | Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J. | 登録日 | 2013-08-21 | 公開日 | 2014-01-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism. Chembiochem, 15, 2014
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4MC0
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![BU of 4mc0 by Molmil](/molmil-images/mine/4mc0) | Hedycaryol apo | 分子名称: | Putative sesquiterpene cyclase | 著者 | Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J. | 登録日 | 2013-08-21 | 公開日 | 2014-01-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism. Chembiochem, 15, 2014
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7AYJ
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![BU of 7ayj by Molmil](/molmil-images/mine/7ayj) | Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor. | 分子名称: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | 著者 | Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J. | 登録日 | 2020-11-12 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates. Acs Infect Dis., 7, 2021
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