7NBK
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![BU of 7nbk by Molmil](/molmil-images/mine/7nbk) | Solution structure of DNA duplex containing a 2'-deoxy-2'2'-difluorodeoxycytidine (gemcitabine) modification | 分子名称: | DNA (5'-D(*CP*GP*TP*AP*(FFC)P*G)-3') | 著者 | Cabrero, C, Martin-Pintado, N, Mazzini, S, Gargallo, R, Eritja, R, Avino, A, Gonzalez, C. | 登録日 | 2021-01-27 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Effects of Incorporation of 2 -Deoxy-2 2 -difluorodeoxycytidine (Gemcitabine) in A- and B-form Duplexes. Chemistry, 2021
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6LNG
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![BU of 6lng by Molmil](/molmil-images/mine/6lng) | Rapid crystallization of streptavidin using charged peptides | 分子名称: | GLYCEROL, Streptavidin | 著者 | Minamihata, K, Tsukamoto, K, Adachi, M, Shimizu, R, Mishina, M, Kuroki, R, Nagamune, T. | 登録日 | 2019-12-30 | 公開日 | 2020-03-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8000015 Å) | 主引用文献 | Genetically fused charged peptides induce rapid crystallization of proteins. Chem.Commun.(Camb.), 56, 2020
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6S4A
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![BU of 6s4a by Molmil](/molmil-images/mine/6s4a) | Structure of human MTHFD2 in complex with TH9028 | 分子名称: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | 著者 | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | 登録日 | 2019-06-27 | 公開日 | 2021-07-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6S4F
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![BU of 6s4f by Molmil](/molmil-images/mine/6s4f) | Structure of human MTHFD2 in complex with TH9619 | 分子名称: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | 著者 | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | 登録日 | 2019-06-27 | 公開日 | 2021-07-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6S4E
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![BU of 6s4e by Molmil](/molmil-images/mine/6s4e) | Structure of human MTHFD2 in complex with TH7299 | 分子名称: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | 著者 | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | 登録日 | 2019-06-27 | 公開日 | 2021-07-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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7N3O
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![BU of 7n3o by Molmil](/molmil-images/mine/7n3o) | Cryo-EM structure of the Cas12k-sgRNA complex | 分子名称: | Cas12k, Single guide RNA | 著者 | Chang, L, Li, Z, Xiao, R, Wang, S, Han, R. | 登録日 | 2021-06-01 | 公開日 | 2021-09-01 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition. Mol.Cell, 81, 2021
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7N3P
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![BU of 7n3p by Molmil](/molmil-images/mine/7n3p) | Cryo-EM structure of the Cas12k-sgRNA-dsDNA complex | 分子名称: | Cas12k, DNA (5'-D(*CP*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*AP*AP*CP*CP*GP*AP*GP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*CP*TP*CP*GP*GP*TP*T)-3'), ... | 著者 | Chang, L, Li, Z, Xiao, R, Wang, S, Han, R. | 登録日 | 2021-06-01 | 公開日 | 2021-09-01 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | 主引用文献 | Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition. Mol.Cell, 81, 2021
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5LL1
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6M4F
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![BU of 6m4f by Molmil](/molmil-images/mine/6m4f) | Crystal structure of the E496A mutant of HsBglA | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase-like enzyme, ... | 著者 | Uehara, R, Iwamoto, R, Aoki, S, Yoshizawa, T, Takano, K, Matsumura, H, Tanaka, S.-i. | 登録日 | 2020-03-06 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of a GH1 beta-glucosidase from Hamamotoa singularis. Protein Sci., 29, 2020
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8PIU
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5M63
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![BU of 5m63 by Molmil](/molmil-images/mine/5m63) | Crystal structure of group B Streptococcus type III DP2 oligosaccharide bound to Fab NVS-1-19-5 | 分子名称: | (2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol, 1,2-ETHANEDIOL, H chain of Fab NVS-1-19-5, ... | 著者 | Carboni, F, Adamo, R, Veggi, D, Rappuoli, R, Malito, E, Margarit, I.R, Berti, F. | 登録日 | 2016-10-24 | 公開日 | 2017-05-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Structure of a protective epitope of group B Streptococcus type III capsular polysaccharide. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7ZXS
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![BU of 7zxs by Molmil](/molmil-images/mine/7zxs) | Crystal structure of DPP9 in complex with a 4-oxo-b-lactam based inhibitor, A295 | 分子名称: | 1,2-ETHANEDIOL, 2-ethyl-2-methanoyl-~{N}-[3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ross, B, Huber, R. | 登録日 | 2022-05-22 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9. Angew.Chem.Int.Ed.Engl., 61, 2022
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1B2L
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![BU of 1b2l by Molmil](/molmil-images/mine/1b2l) | ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS: TERNARY COMPLEX WITH NAD-CYCLOHEXANONE | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ALCOHOL DEHYDROGENASE, CALCIUM ION, ... | 著者 | Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R. | 登録日 | 1998-11-26 | 公開日 | 1999-11-26 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography. J.Mol.Biol., 289, 1999
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5M98
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5J4E
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5J3W
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1B15
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![BU of 1b15 by Molmil](/molmil-images/mine/1b15) | ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-ACETONE | 分子名称: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT | 著者 | Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R. | 登録日 | 1998-11-25 | 公開日 | 1999-11-26 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography. J.Mol.Biol., 289, 1999
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6MTT
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![BU of 6mtt by Molmil](/molmil-images/mine/6mtt) | Crystal structure of VRC46.01 Fab in complex with gp41 peptide | 分子名称: | Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide | 著者 | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | 登録日 | 2018-10-21 | 公開日 | 2019-03-27 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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6RAV
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![BU of 6rav by Molmil](/molmil-images/mine/6rav) | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | 分子名称: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | 登録日 | 2019-04-08 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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5N1I
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5N1C
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6NPS
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![BU of 6nps by Molmil](/molmil-images/mine/6nps) | Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus | 分子名称: | AxyAgu115A, CHLORIDE ION, GLYCEROL | 著者 | Stogios, P.J, Skarina, T, Di Leo, R, Yan, R, Master, E, Savchenko, A. | 登録日 | 2019-01-18 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Structural characterization of the family GH115 alpha-glucuronidase from Amphibacillus xylanus yields insight into its coordinated action with alpha-arabinofuranosidases. N Biotechnol, 2021
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7OCK
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![BU of 7ock by Molmil](/molmil-images/mine/7ock) | MAT in complex with SAMH | 分子名称: | S-adenosylmethionine synthase, SAM hydrolase | 著者 | Simon, H, Kleiner, D, Shmulevich, F, Zarivach, R, Zalk, R, Tang, H, Ding, F, Bershtein, S. | 登録日 | 2021-04-27 | 公開日 | 2021-07-21 | 最終更新日 | 2021-10-13 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | SAMase of Bacteriophage T3 Inactivates Escherichia coli's Methionine S -Adenosyltransferase by Forming Heteropolymers. Mbio, 12, 2021
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6T8W
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![BU of 6t8w by Molmil](/molmil-images/mine/6t8w) | Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | 分子名称: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | 登録日 | 2019-10-25 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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7OC1
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![BU of 7oc1 by Molmil](/molmil-images/mine/7oc1) | Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. | 登録日 | 2021-04-25 | 公開日 | 2021-08-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics. Chemmedchem, 16, 2021
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