7BD6
 
 | | Notum Fragment 863 | | 分子名称: | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2020-12-21 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7MU7
 | | Ask1 bound to compound 3 | | 分子名称: | 1,2-ETHANEDIOL, 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, ... | | 著者 | Chodaparambil, J.V, Marcotte, D.J. | | 登録日 | 2021-05-14 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.298 Å) | | 主引用文献 | Discovery of Potent, Selective and CNS-Penetrant Apoptosis Signal-regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation in Vivo
To Be Published
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7BAC
 | | Notum Fragment 646 | | 分子名称: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2020-12-15 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7MRI
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9G5M
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6R61
 | | Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258 | | 分子名称: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-3-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J. | | 登録日 | 2019-03-26 | | 公開日 | 2021-04-07 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258
To Be Published
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6O9N
 | | Structural insights on a new fungal aryl-alcohol oxidase | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kadowaki, M.A.S, Polikarpov, I. | | 登録日 | 2019-03-14 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.598 Å) | | 主引用文献 | Enzymatic versatility and thermostability of a new aryl-alcohol oxidase from Thermothelomyces thermophilus M77.
Biochim Biophys Acta Gen Subj, 1864, 2020
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7B2Y
 | | Notum complex with ARUK3003910 | | 分子名称: | 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jone, E.Y. | | 登録日 | 2020-11-28 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
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7B2V
 | | Notum complex with ARUK3003906 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jone, E.Y. | | 登録日 | 2020-11-28 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Structural Insights into Notum Covalent Inhibition.
J.Med.Chem., 64, 2021
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5MD0
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=5, twist=6 | | 分子名称: | Capsid protein p24 | | 著者 | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | 登録日 | 2016-11-10 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (8.4 Å) | | 主引用文献 | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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5MDF
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=23, twist=-6 | | 分子名称: | Gag protein | | 著者 | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | 登録日 | 2016-11-10 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (8.5 Å) | | 主引用文献 | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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9B3N
 | | Human Notch-1 EGFs 20-24 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Neurogenic locus notch homolog protein 1, ... | | 著者 | Johnson, S, Suckling, R, Handford, P.A, Lea, S.M. | | 登録日 | 2024-03-19 | | 公開日 | 2024-10-16 | | 最終更新日 | 2024-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural and functional studies of the EGF20-27 region reveal new features of the human Notch receptor important for optimal activation.
Structure, 32, 2024
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5MD2
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=5, twist=-6 | | 分子名称: | Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain | | 著者 | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | 登録日 | 2016-11-10 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (8.6 Å) | | 主引用文献 | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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5MDC
 | | The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=-12 | | 分子名称: | Gag protein | | 著者 | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | | 登録日 | 2016-11-10 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (8.4 Å) | | 主引用文献 | The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
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6IGO
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6RV3
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | | 著者 | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2019-05-30 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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5NYN
 | | Crystal structure of the atypical poplar thioredoxin-like2.1 in complex with gluathione | | 分子名称: | GLUTATHIONE, SULFATE ION, Thioredoxin-like protein 2.1 | | 著者 | Chibani, K, Saul, F.A, Haouz, A, Rouhier, N. | | 登録日 | 2017-05-11 | | 公開日 | 2018-02-28 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural snapshots along the reaction mechanism of the atypical poplar thioredoxin-like2.1.
FEBS Lett., 592, 2018
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6ZBL
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6RVF
 | | Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-phenyl | | 分子名称: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea, Carbonic anhydrase 2, ZINC ION | | 著者 | Di Fiore, A, De Simone, G. | | 登録日 | 2019-05-31 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
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6RVL
 | | Crystal structure of hCA II with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-?N'-phenyl- | | 分子名称: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea, Carbonic anhydrase 2, ZINC ION | | 著者 | Di Fiore, A, De Simone, G. | | 登録日 | 2019-05-31 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
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9DWD
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6SHY
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8ONE
 | | Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Asp190Ser mutant - Cocrystal with Fe2+, Mn2+, UDP-Glucose | | 分子名称: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Mattoteia, D, De Marco, M, Pinnola, A, Faravelli, S, Scietti, L, Forneris, F. | | 登録日 | 2023-04-02 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of Regulatory Molecular "Hot Spots" for LH/PLOD Collagen Glycosyltransferase Activity.
Int J Mol Sci, 24, 2023
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7NUM
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7NUL
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