6N3L
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![BU of 6n3l by Molmil](/molmil-images/mine/6n3l) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | 分子名称: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | 著者 | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | 登録日 | 2018-11-15 | 公開日 | 2019-10-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
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5MAD
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![BU of 5mad by Molmil](/molmil-images/mine/5mad) | GFP-binding DARPin 3G61 | 分子名称: | 3G61, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ... | 著者 | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | 登録日 | 2016-11-03 | 公開日 | 2017-12-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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6UOM
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![BU of 6uom by Molmil](/molmil-images/mine/6uom) | Y271G DNA polymerase beta ternary complex with templating adenine and incoming r8-oxo-GTP | 分子名称: | 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Smith, M.R, Freudenthal, B.D. | 登録日 | 2019-10-15 | 公開日 | 2020-01-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta. J.Biol.Chem., 295, 2020
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6FDI
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![BU of 6fdi by Molmil](/molmil-images/mine/6fdi) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-226 | 分子名称: | 1,2-ETHANEDIOL, 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2017-12-24 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | hPDE4D2 structure with inhibitor NPD-226 To be published
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7B1X
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![BU of 7b1x by Molmil](/molmil-images/mine/7b1x) | Crystal structure of cold-active esterase PMGL3 from permafrost metagenomic library | 分子名称: | esterase PMGL3 | 著者 | Boyko, K.M, Nikolaeva, A.Y, Petrovskaya, L.E, Kryukova, M.V, Kryukova, E.A, Korzhenevsky, D.A, Lomakina, G.Y, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | 登録日 | 2020-11-25 | 公開日 | 2021-11-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and Biochemical Characterization of a Cold-Active PMGL3 Esterase with Unusual Oligomeric Structure. Biomolecules, 11, 2021
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6YML
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7SNE
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![BU of 7sne by Molmil](/molmil-images/mine/7sne) | Pertussis toxin S1 subunit bound to BaAD | 分子名称: | Pertussis toxin subunit 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | 著者 | Littler, D.R, Beddoe, T. | 登録日 | 2021-10-28 | 公開日 | 2022-04-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.00011 Å) | 主引用文献 | Crystal structures of pertussis toxin with NAD + and analogs provide structural insights into the mechanism of its cytosolic ADP-ribosylation activity. J.Biol.Chem., 298, 2022
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6YD9
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![BU of 6yd9 by Molmil](/molmil-images/mine/6yd9) | Ecoli GyrB24 with inhibitor 16a | 分子名称: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | 著者 | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | 登録日 | 2020-03-20 | 公開日 | 2020-12-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8COI
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![BU of 8coi by Molmil](/molmil-images/mine/8coi) | Human adenovirus-derived synthetic ADDobody binder | 分子名称: | ADDobody | 著者 | Buzas, D, Toelzer, C, Gupta, K, Berger-Schaffitzel, C, Berger, I. | 登録日 | 2023-02-28 | 公開日 | 2023-12-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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7NWK
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![BU of 7nwk by Molmil](/molmil-images/mine/7nwk) | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | 分子名称: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | 著者 | Collie, G.W, Ferguson, A.D. | 登録日 | 2021-03-16 | 公開日 | 2021-10-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement. J.Med.Chem., 64, 2021
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8EKI
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![BU of 8eki by Molmil](/molmil-images/mine/8eki) | CryoEM structure of the Dsl1 complex bound to SNAREs Sec20 and Use1 | 分子名称: | Protein transport protein DSL1, Protein transport protein SEC20, Protein transport protein SEC39, ... | 著者 | DAmico, K.A, Jeffrey, P.D, Hughson, F.M. | 登録日 | 2022-09-21 | 公開日 | 2023-10-04 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Structure of a membrane tethering complex incorporating multiple SNAREs. Nat.Struct.Mol.Biol., 31, 2024
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6Y6O
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![BU of 6y6o by Molmil](/molmil-images/mine/6y6o) | Structure of mature activin A with small molecule 42 | 分子名称: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | 著者 | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | 登録日 | 2020-02-26 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
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6SGF
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![BU of 6sgf by Molmil](/molmil-images/mine/6sgf) | Molecular insight into a new low affinity xylan binding module CBM86, from the xylanolytic gut symbiont Roseburia intestinalis. | 分子名称: | Beta-xylanase, CADMIUM ION, CHLORIDE ION, ... | 著者 | Ejby, M, Abou Hachem, M, Leth, M.L, Guskov, A, Slotboom, D. | 登録日 | 2019-08-04 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.756 Å) | 主引用文献 | Molecular insight into a new low-affinity xylan binding module from the xylanolytic gut symbiont Roseburia intestinalis. Febs J., 287, 2020
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6YBP
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![BU of 6ybp by Molmil](/molmil-images/mine/6ybp) | Propionyl-CoA carboxylase of Methylorubrum extorquens with bound CoA | 分子名称: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | 著者 | Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J. | 登録日 | 2020-03-17 | 公開日 | 2020-10-28 | 最終更新日 | 2021-05-12 | 実験手法 | ELECTRON MICROSCOPY (3.48 Å) | 主引用文献 | A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation Nat Catal, 2021
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6V79
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![BU of 6v79 by Molmil](/molmil-images/mine/6v79) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2376 | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide, Hdac6 protein, ... | 著者 | Osko, J.D, Christianson, D.W. | 登録日 | 2019-12-08 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.03951526 Å) | 主引用文献 | Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J.Med.Chem., 64, 2021
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7QEP
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![BU of 7qep by Molmil](/molmil-images/mine/7qep) | Cryo-EM structure of the ribosome from Encephalitozoon cuniculi | 分子名称: | 18S ribosomal RNA, 40S RIBOSOMAL PROTEIN S10, 40S RIBOSOMAL PROTEIN S11, ... | 著者 | Nicholson, D, Ranson, N.A, Melnikov, S.V. | 登録日 | 2021-12-03 | 公開日 | 2022-02-09 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Adaptation to genome decay in the structure of the smallest eukaryotic ribosome Nat Commun, 13, 2022
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4Y4K
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![BU of 4y4k by Molmil](/molmil-images/mine/4y4k) | Crystal structure of the mCD1d/EF77/iNKTCR ternary complex | 分子名称: | (4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zajonc, D.M, Birkholz, A.M. | 登録日 | 2015-02-10 | 公開日 | 2015-05-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells To Be Published
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7B4Q
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![BU of 7b4q by Molmil](/molmil-images/mine/7b4q) | Structure of a cold active HSL family esterase reveals mechanisms of low temperature adaptation and substrate specificity | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Rizkallah, P.J, Jones, D.D, Noby, N, Auhim, H. | 登録日 | 2020-12-02 | 公開日 | 2021-12-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Structure and in silico simulations of a cold-active esterase reveals its prime cold-adaptation mechanism. Open Biology, 11, 2021
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6XVK
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![BU of 6xvk by Molmil](/molmil-images/mine/6xvk) | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide | 分子名称: | Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | 著者 | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | 登録日 | 2020-01-22 | 公開日 | 2020-05-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142, 2020
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6N8I
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5MRV
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![BU of 5mrv by Molmil](/molmil-images/mine/5mrv) | Crystal structure of human carboxypeptidase O in complex with NvCI | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase O, Metallocarboxypeptidase inhibitor, ... | 著者 | Garcia-Pardo, J, Garcia-Guerrero, M.C, Fernandez-Alvarez, R, Lyons, P, Aviles, F.X, Lorenzo, J, Reverter, D. | 登録日 | 2016-12-27 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | 主引用文献 | Crystal structure and mechanism of human carboxypeptidase O: Insights into its specific activity for acidic residues. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7QHB
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![BU of 7qhb by Molmil](/molmil-images/mine/7qhb) | Active state of GluA1/2 in complex with TARP gamma 8, L-glutamate and CTZ | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CYCLOTHIAZIDE, ... | 著者 | Herguedas, B, Kohegyi, B, Zhang, D, Greger, I.H. | 登録日 | 2021-12-11 | 公開日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Mechanisms underlying TARP modulation of the GluA1/2-gamma 8 AMPA receptor. Nat Commun, 13, 2022
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6N93
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![BU of 6n93 by Molmil](/molmil-images/mine/6n93) | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA | 分子名称: | (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | 著者 | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | 登録日 | 2018-11-30 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
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7B5F
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![BU of 7b5f by Molmil](/molmil-images/mine/7b5f) | Structure of echovirus 18 in complex with neonatal Fc receptor | 分子名称: | Beta-2-microglobulin, Echovirus 18 viral protein 1, Echovirus 18 viral protein 2, ... | 著者 | Buchta, D, Levdansky, Y, Fuzik, T, Mukhamedova, L, Moravcova, J, Hrebik, D, Andersen, J.T, Plevka, P. | 登録日 | 2020-12-03 | 公開日 | 2022-01-12 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structure of echovirus 18 in complex with neonatal Fc receptor To Be Published
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7QXS
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![BU of 7qxs by Molmil](/molmil-images/mine/7qxs) | Cryo-EM structure of human telomerase-DNA-TPP1-POT1 complex (with POT1 side chains) | 分子名称: | Adrenocortical dysplasia homolog (Mouse), isoform CRA_a, Histone H2A, ... | 著者 | Sekne, Z, Ghanim, G.E, van Roon, A.M.M, Nguyen, T.H.D. | 登録日 | 2022-01-27 | 公開日 | 2022-03-02 | 最終更新日 | 2022-03-23 | 実験手法 | ELECTRON MICROSCOPY (3.91 Å) | 主引用文献 | Structural basis of human telomerase recruitment by TPP1-POT1. Science, 375, 2022
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