6ZAQ
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![BU of 6zaq by Molmil](/molmil-images/mine/6zaq) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and IPN after dioxygen exposure | 分子名称: | FE (II) ION, ISOPENICILLIN N, 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 | 2020-06-05 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 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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6ZAP
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![BU of 6zap by Molmil](/molmil-images/mine/6zap) | Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions. | 分子名称: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 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 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.36 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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6ZAF
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![BU of 6zaf by Molmil](/molmil-images/mine/6zaf) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 400ms. | 分子名称: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 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 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4001 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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6ZAJ
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![BU of 6zaj by Molmil](/molmil-images/mine/6zaj) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 3000ms. | 分子名称: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 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 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5301 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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6ZAM
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![BU of 6zam by Molmil](/molmil-images/mine/6zam) | Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions. | 分子名称: | 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) 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 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 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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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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7E8O
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7E8K
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![BU of 7e8k by Molmil](/molmil-images/mine/7e8k) | |
7E8J
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![BU of 7e8j by Molmil](/molmil-images/mine/7e8j) | |
8X01
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![BU of 8x01 by Molmil](/molmil-images/mine/8x01) | |
7D2L
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![BU of 7d2l by Molmil](/molmil-images/mine/7d2l) | Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage | 分子名称: | 12i1-D647A, CITRIC ACID, DNA (26-MER), ... | 著者 | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | 登録日 | 2020-09-16 | 公開日 | 2021-05-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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7D8C
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![BU of 7d8c by Molmil](/molmil-images/mine/7d8c) | Crystal structure of the Cas12i1-crRNA binary complex | 分子名称: | 12i1, CITRIC ACID, RNA (3-MER), ... | 著者 | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | 登録日 | 2020-10-07 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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7D3J
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![BU of 7d3j by Molmil](/molmil-images/mine/7d3j) | Crystal structure of the Cas12i1 R-loop complex after target DNA cleavage | 分子名称: | 12i1-WT, CITRIC ACID, DNA (23-MER), ... | 著者 | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | 登録日 | 2020-09-19 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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6XOG
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![BU of 6xog by Molmil](/molmil-images/mine/6xog) | Structure of SUMO1-ML786519 adduct bound to SAE | 分子名称: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | 著者 | Sintchak, M, Lane, W, Bump, N. | 登録日 | 2020-07-07 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOH
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![BU of 6xoh by Molmil](/molmil-images/mine/6xoh) | Structure of SUMO1-ML00789344 adduct bound to SAE | 分子名称: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | 著者 | Sintchak, M, Lane, W, Bump, N. | 登録日 | 2020-07-07 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.226 Å) | 主引用文献 | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOI
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![BU of 6xoi by Molmil](/molmil-images/mine/6xoi) | Structure of SUMO1-ML00752641 adduct bound to SAE | 分子名称: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | 著者 | Sintchak, M, Lane, W, Bump, N. | 登録日 | 2020-07-07 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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7E1V
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![BU of 7e1v by Molmil](/molmil-images/mine/7e1v) | Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | 著者 | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | 登録日 | 2021-02-03 | 公開日 | 2021-10-13 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | 主引用文献 | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7E1X
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![BU of 7e1x by Molmil](/molmil-images/mine/7e1x) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | 著者 | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | 登録日 | 2021-02-03 | 公開日 | 2021-10-27 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | 主引用文献 | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7E1W
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![BU of 7e1w by Molmil](/molmil-images/mine/7e1w) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | 著者 | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | 登録日 | 2021-02-03 | 公開日 | 2021-10-27 | 最終更新日 | 2022-07-27 | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | 主引用文献 | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7EU9
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![BU of 7eu9 by Molmil](/molmil-images/mine/7eu9) | Crystal structure of the selenomethionine(SeMet)-derived Cas12i1 R-loop complex before target DNA cleavage | 分子名称: | CITRIC ACID, Cas12i1 D647A mutant, DNA (24-MER), ... | 著者 | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | 登録日 | 2021-05-16 | 公開日 | 2021-05-26 | 最終更新日 | 2021-06-23 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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3UIZ
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![BU of 3uiz by Molmil](/molmil-images/mine/3uiz) | |
3VH8
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![BU of 3vh8 by Molmil](/molmil-images/mine/3vh8) | KIR3DL1 in complex with HLA-B*5701 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | 著者 | Vivian, J.P, Rossjohn, J. | 登録日 | 2011-08-24 | 公開日 | 2011-10-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Killer cell immunoglobulin-like receptor 3DL1-mediated recognition of human leukocyte antigen B Nature, 479, 2011
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1O66
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![BU of 1o66 by Molmil](/molmil-images/mine/1o66) | |
1O64
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1O60
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![BU of 1o60 by Molmil](/molmil-images/mine/1o60) | |