8BSQ
| Notum Inhibitor ARUK3006561 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-26 | 公開日 | 2022-12-14 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BT5
| Notum Inhibitor ARUK3004877 | 分子名称: | 1,2-ETHANEDIOL, 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-27 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BSP
| Notum Inhibitor ARUK3006560 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-26 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTC
| Notum Inhibitor ARUK3004558 | 分子名称: | 1,2-ETHANEDIOL, 1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-28 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BSR
| Notum Inhibitor ARUK3006562 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-26 | 公開日 | 2022-12-14 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BT2
| Notum Inhibitor ARUK3004876 | 分子名称: | 1,2-ETHANEDIOL, 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-27 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTE
| Notum Inhibitor ARUK3004470 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-28 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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4CRF
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | 分子名称: | CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ... | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | 登録日 | 2014-02-26 | 公開日 | 2015-02-11 | 最終更新日 | 2022-05-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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1WVA
| Crystal structure of human arginase I from twinned crystal | 分子名称: | Arginase 1, MANGANESE (II) ION, S-2-(BORONOETHYL)-L-CYSTEINE | 著者 | Di Costanzo, L, Sabio, G, Mora, A, Rodriguez, P.C, Ochoa, A.C, Centeno, F, Christianson, D.W. | 登録日 | 2004-12-14 | 公開日 | 2005-09-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Crystal structure of human arginase I at 1.29 A resolution and exploration of inhibition in the immune response Proc.Natl.Acad.Sci.Usa, 102, 2005
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8BT0
| Notum Inhibitor ARUK3005518 | 分子名称: | (3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-27 | 公開日 | 2022-12-14 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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4WQN
| Crystal structure of N6-methyladenosine RNA reader YTHDF2 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, YTH domain-containing family protein 2 | 著者 | Zhu, T, Roundtree, I.A, Wang, P, Wang, X, Wang, L, Sun, C, Tian, Y, Li, J, He, C, Xu, Y. | 登録日 | 2014-10-22 | 公開日 | 2014-11-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.121 Å) | 主引用文献 | Crystal structure of the YTH domain of YTHDF2 reveals mechanism for recognition of N6-methyladenosine. Cell Res., 24, 2014
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2IEM
| Solution structure of an oxidized form (Cys51-Cys198) of E. coli Methionine Sulfoxide Reductase A (MsrA) | 分子名称: | Peptide methionine sulfoxide reductase msrA | 著者 | Coudevylle, N, Antoine, M, Bouguet-Bonnet, S, Mutzenhardt, P, Boschi-Muller, S, Branlant, G, Cung, M.T. | 登録日 | 2006-09-19 | 公開日 | 2007-02-13 | 最終更新日 | 2024-10-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure and Backbone Dynamics of the Reduced Form and an Oxidized Form of E. coli Methionine Sulfoxide Reductase A (MsrA): Structural Insight of the MsrA Catalytic Cycle. J.Mol.Biol., 366, 2007
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4CHB
| Crystal structure of the human KLHL2 Kelch domain in complex with a WNK4 peptide | 分子名称: | 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, KELCH-LIKE PROTEIN 2, ... | 著者 | Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Cooper, C.D.O, Canning, P, Kopec, J, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2013-11-29 | 公開日 | 2014-01-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation. Biochem.J., 460, 2014
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3FXH
| Crystal structure from the mobile metagenome of Halifax Harbour Sewage Outfall: Integron Cassette Protein HFX_CASS2 | 分子名称: | Integron gene cassette protein HFX_CASS2 | 著者 | Sureshan, V, Deshpande, C, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Chang, C, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2009-01-20 | 公開日 | 2009-02-17 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.837 Å) | 主引用文献 | Integron gene cassettes: a repository of novel protein folds with distinct interaction sites. Plos One, 8, 2013
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8BSZ
| Notum Inhibitor ARUK3005522 | 分子名称: | (3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-27 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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8BTA
| Notum Inhibitor ARUK3004308 | 分子名称: | 1,2-ETHANEDIOL, 1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-28 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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5O1O
| Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound. | 分子名称: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ... | 著者 | Kopec, J, Rembeza, E, Pena, I.A, Mathea, S, Velupillai, S, Strain-Damerell, C, Goubin, S, Kupinska, K, Talon, R, Collins, P, Krojer, T, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, von Delft, F, Arruda, P, Yue, W.W. | 登録日 | 2017-05-18 | 公開日 | 2017-06-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound. To Be Published
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2J6D
| CONKUNITZIN-S2 - CONE SNAIL NEUROTOXIN - DENOVO STRUCTURE | 分子名称: | CONKUNITZIN-S2 | 著者 | Korukottu, J, Bayrhuber, M, Montaville, P, Vijayan, V, Jung, Y.-S, Becker, S, Zweckstetter, M. | 登録日 | 2006-09-27 | 公開日 | 2007-01-16 | 最終更新日 | 2021-06-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Fast High-Resolution Protein Structure Determination by Using Unassigned NMR Data. Angew.Chem.Int.Ed.Engl., 46, 2007
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8BTH
| Notum Inhibitor ARUK3004552 | 分子名称: | 1,2-ETHANEDIOL, 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2022-11-28 | 公開日 | 2022-12-14 | 最終更新日 | 2023-06-28 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity. Eur.J.Med.Chem., 251, 2023
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7RFB
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4EIN
| Crystal structure of mouse thymidylate synthase in binary complex with a substrate analogue and strong inhibitor, N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate | 分子名称: | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, Thymidylate synthase | 著者 | Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Kierdaszuk, B, Rode, W. | 登録日 | 2012-04-05 | 公開日 | 2013-04-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structures of complexes of mouse thymidylate synthase
crystallized with N4-OH-dCMP alone or in the presence of
N5,10-methylenetetrahydrofolate PTERIDINES, 2013
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5O2G
| Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography | 分子名称: | Fluoroacetate dehalogenase | 著者 | Schulz, E.C, Kaub, J, Busse, F, Mehrabi, P, Mueller-Werkmeiser, H, Pai, E.F, Robertson, W.D, Miller, R.J.D. | 登録日 | 2017-05-20 | 公開日 | 2018-05-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography To Be Published
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5OF1
| The structural versatility of TasA in B. subtilis biofilm formation | 分子名称: | 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, Spore coat-associated protein N | 著者 | Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H. | 登録日 | 2017-07-10 | 公開日 | 2018-03-21 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structural changes of TasA in biofilm formation ofBacillus subtilis. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5O4W
| Protein structure determination by electron diffraction using a single three-dimensional nanocrystal | 分子名称: | Lysozyme C | 著者 | Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P. | 登録日 | 2017-05-31 | 公開日 | 2017-08-23 | 最終更新日 | 2024-01-17 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.11 Å) | 主引用文献 | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal. Acta Crystallogr D Struct Biol, 73, 2017
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4EOY
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