5GVL
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![BU of 5gvl by Molmil](/molmil-images/mine/5gvl) | Plasmodium vivax SHMT bound with PLP-glycine and GS182 | 分子名称: | (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5GN9
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![BU of 5gn9 by Molmil](/molmil-images/mine/5gn9) | Crystal structure of alternative oxidase from Trypanosoma brucei brucei complexed with cumarin derivative-17b | 分子名称: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, Alternative oxidase, mitochondrial, ... | 著者 | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | 登録日 | 2016-07-19 | 公開日 | 2017-07-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei. Faseb J., 33, 2019
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5MA2
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![BU of 5ma2 by Molmil](/molmil-images/mine/5ma2) | PCE reductive dehalogenase from S. multivorans in complex with 4-iodophenol | 分子名称: | 4-IODOPHENOL, BENZAMIDINE, GLYCEROL, ... | 著者 | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | 登録日 | 2016-11-03 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.879 Å) | 主引用文献 | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5GN5
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![BU of 5gn5 by Molmil](/molmil-images/mine/5gn5) | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17 | 分子名称: | 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | 著者 | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | 登録日 | 2016-07-19 | 公開日 | 2017-07-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei. Faseb J., 33, 2019
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5M91
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![BU of 5m91 by Molmil](/molmil-images/mine/5m91) | PCE reductive dehalogenase from S. multivorans in complex with 2,6-dibromophenol | 分子名称: | 2,6-bis(bromanyl)phenol, BENZAMIDINE, GLYCEROL, ... | 著者 | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | 登録日 | 2016-10-31 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.719 Å) | 主引用文献 | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5GVM
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![BU of 5gvm by Molmil](/molmil-images/mine/5gvm) | Plasmodium vivax SHMT bound with PLP-glycine and GS557 | 分子名称: | 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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7TDJ
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![BU of 7tdj by Molmil](/molmil-images/mine/7tdj) | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 1(Dataset-A) | 分子名称: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | 著者 | Nayak, A.R, Samso, M. | 登録日 | 2021-12-31 | 公開日 | 2022-03-09 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
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7TDG
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7TDH
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![BU of 7tdh by Molmil](/molmil-images/mine/7tdh) | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in open conformation | 分子名称: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | 著者 | Nayak, A.R, Samso, M. | 登録日 | 2021-12-31 | 公開日 | 2022-03-09 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
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7TDI
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![BU of 7tdi by Molmil](/molmil-images/mine/7tdi) | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 2 (Dataset-A) | 分子名称: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | 著者 | Nayak, A.R, Samso, M. | 登録日 | 2021-12-31 | 公開日 | 2022-03-09 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
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7TDK
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![BU of 7tdk by Molmil](/molmil-images/mine/7tdk) | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 3 (Dataset-A) | 分子名称: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | 著者 | Nayak, A.R, Samso, M. | 登録日 | 2021-12-31 | 公開日 | 2022-03-09 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
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8T42
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![BU of 8t42 by Molmil](/molmil-images/mine/8t42) | Model of TTLL6 MTBH1-2 bound to microtubule | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | 著者 | Mahalingan, K.K, Grotjahn, D, Li, Y, Lander, G.C, Zehr, E.A, Roll-Mecak, A. | 登録日 | 2023-06-08 | 公開日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structural basis for alpha-tubulin-specific and modification state-dependent glutamylation. Nat.Chem.Biol., 2024
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6FM4
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![BU of 6fm4 by Molmil](/molmil-images/mine/6fm4) | The crystal structure of S. aureus Gyrase complex with ID-130 and DNA | 分子名称: | 5'-O-CARBOXY-2'-DEOXYADENOSINE, DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*C)-3'), DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | 著者 | Ombrato, R, Garofalo, B, Mangano, G, Mancini, F. | 登録日 | 2018-01-30 | 公開日 | 2019-07-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Virtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens. J.Med.Chem., 62, 2019
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7UTA
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![BU of 7uta by Molmil](/molmil-images/mine/7uta) | CryoEM structure of Azotobacter vinelandii nitrogenase complex (2:1 FeP:MoFeP) inhibited by BeFx during catalytic N2 reduction | 分子名称: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM, ... | 著者 | Rutledge, H.L, Cook, B.D, Nguyen, H.P.M, Tezcan, F.A, Herzik, M.A. | 登録日 | 2022-04-26 | 公開日 | 2022-08-17 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Structures of the nitrogenase complex prepared under catalytic turnover conditions. Science, 377, 2022
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7UT7
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![BU of 7ut7 by Molmil](/molmil-images/mine/7ut7) | C2 symmetric cryoEM structure of Azotobacter vinelandii MoFeP under non-turnover conditions | 分子名称: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | 著者 | Rutledge, H.L, Cook, B.D, Tezcan, F.A, Herzik, M.A. | 登録日 | 2022-04-26 | 公開日 | 2022-08-17 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (1.91 Å) | 主引用文献 | Structures of the nitrogenase complex prepared under catalytic turnover conditions. Science, 377, 2022
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6GV4
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![BU of 6gv4 by Molmil](/molmil-images/mine/6gv4) | High-resolution Cryo-EM of Fab-labeled human parechovirus 3 | 分子名称: | AT12-015 antibody variable heavy, AT12-015 antibody variable light, RNA (5'-R(*UP*GP*GP*UP*AP*UP*UP*U)-3'), ... | 著者 | Domanska, A, Flatt, J.W, Jukonen, J.J.J, Geraets, J.A, Butcher, S.J. | 登録日 | 2018-06-20 | 公開日 | 2018-11-21 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | A 2.8-Angstrom-Resolution Cryo-Electron Microscopy Structure of Human Parechovirus 3 in Complex with Fab from a Neutralizing Antibody. J.Virol., 93, 2019
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6GXQ
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![BU of 6gxq by Molmil](/molmil-images/mine/6gxq) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335 | 分子名称: | 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, GLYCEROL, GUANIDINE, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2018-06-27 | 公開日 | 2019-07-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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5GVK
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![BU of 5gvk by Molmil](/molmil-images/mine/5gvk) | Plasmodium vivax SHMT bound with PLP-glycine and GS256 | 分子名称: | 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | 登録日 | 2016-09-06 | 公開日 | 2017-07-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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6FML
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![BU of 6fml by Molmil](/molmil-images/mine/6fml) | CryoEM Structure INO80core Nucleosome complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin related protein 5, ... | 著者 | Eustermann, S, Schall, K, Kostrewa, D, Strauss, M, Hopfner, K. | 登録日 | 2018-01-31 | 公開日 | 2018-04-25 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (4.34 Å) | 主引用文献 | Structural basis for ATP-dependent chromatin remodelling by the INO80 complex. Nature, 556, 2018
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5H2S
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8Q9Z
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6G5F
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![BU of 6g5f by Molmil](/molmil-images/mine/6g5f) | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | 分子名称: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | 著者 | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | 登録日 | 2018-03-29 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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5LK2
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7UK4
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![BU of 7uk4 by Molmil](/molmil-images/mine/7uk4) | KS-AT di-domain of mycobacterial Pks13 with endogenous KS ligand bound | 分子名称: | Polyketide synthase PKS13, UNKNOWN LIGAND | 著者 | Kim, S.K, Dickinson, M.S, Finer-Moore, J.S, Rosenberg, O.S, Stroud, R.M. | 登録日 | 2022-03-31 | 公開日 | 2023-02-15 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (1.94 Å) | 主引用文献 | Structure and dynamics of the essential endogenous mycobacterial polyketide synthase Pks13. Nat.Struct.Mol.Biol., 30, 2023
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5LJZ
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![BU of 5ljz by Molmil](/molmil-images/mine/5ljz) | Structure of hantavirus envelope glycoprotein Gc in postfusion conformation | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, ... | 著者 | Guardado-Calvo, P, Rey, F.A. | 登録日 | 2016-07-20 | 公開日 | 2016-09-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc. Plos Pathog., 12, 2016
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