4Z4R
 
 | | Crystal structure of GII.10 P domain in complex with 300mM fucose | | 分子名称: | 1,2-ETHANEDIOL, Capsid protein, beta-L-fucopyranose | | 著者 | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | | 登録日 | 2015-04-02 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
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7B8U
 | | Notum-Fragment 201 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-13 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-11-06 | | 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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6E9W
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5GMU
 | | Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Chlorogenic acid | | 分子名称: | (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, Protein AroA(G), SULFATE ION | | 著者 | Pratap, S, Dev, A, Sharma, V, Yadav, R, Narwal, M, Tomar, S, Kumar, P. | | 登録日 | 2016-07-16 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site.
Sci Rep, 7, 2017
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6QB3
 | | Apo Mcl1 in a complex with a scFv | | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | | 著者 | Kazmirski, S, Hargreaves, D. | | 登録日 | 2018-12-20 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
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6HMN
 | | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00014909 | | 分子名称: | 3-methyl-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-1-(phenylmethyl)quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Tucker, J.A, Brassington, C, Hassall, G. | | 登録日 | 2018-09-12 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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8OM1
 | | Mitochondrial complex I from Mus musculus in the active state | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Grba, D.N, Chung, I, Bridges, H.R, Agip, A.N.A, Hirst, J. | | 登録日 | 2023-03-31 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (2.39 Å) | | 主引用文献 | Investigation of hydrated channels and proton pathways in a high-resolution cryo-EM structure of mammalian complex I.
Sci Adv, 9, 2023
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7B8A
 | | Notum-Fragment 110 | | 分子名称: | 1,2-ETHANEDIOL, 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-12 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Notum Fragment Screen
To Be Published
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4IV5
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6TA3
 | | Human kinesin-5 motor domain in the GSK-1 state bound to microtubules (Conformation 1) | | 分子名称: | 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ... | | 著者 | Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | | 登録日 | 2019-10-29 | | 公開日 | 2020-04-22 | | 最終更新日 | 2025-10-01 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
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6JVU
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5K0F
 | | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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9YFB
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5K9V
 | | Protein Tyrosine Phosphatase 1B (1-301), open state | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Choy, M.S, Peti, W, Page, R. | | 登録日 | 2016-06-01 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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7QTZ
 | | Crystal structure of Iripin-1 serpin from tick Ixodes ricinus | | 分子名称: | MAGNESIUM ION, Putative salivary serpin | | 著者 | Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T. | | 登録日 | 2022-01-17 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Iripin-1, a new anti-inflammatory tick serpin, inhibits leukocyte recruitment in vivo while altering the levels of chemokines and adhesion molecules.
Front Immunol, 14, 2023
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7BF5
 | | Crystal structure of SARS-CoV-2 macrodomain in complex with ADP-ribose-phosphate (ADP-ribose-2'-phosphate, ADPRP) | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, NSP3 macrodomain, ... | | 著者 | Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-31 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
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7WU1
 | | Crystal structure of phospholipase D from Moritella sp. JT01 | | 分子名称: | 1,2-ETHANEDIOL, Phospholipase D, SODIUM ION | | 著者 | Wang, Y.H, Mao, X.J, Wang, J, Wang, F.H. | | 登録日 | 2022-02-05 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of phospholipase D from Moritella sp. JT01
To Be Published
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4ZC4
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4Z4T
 | | Crystal structure of GII.10 P domain in complex with 75mM fucose | | 分子名称: | 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ... | | 著者 | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | | 登録日 | 2015-04-02 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
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9YH9
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6Q11
 | | Crystal structure of MurA from Clostridium difficile, mutation C116S, in the presence of URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | | 著者 | Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M. | | 登録日 | 2019-08-02 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of MurA from Clostridium difficile, mutation C116S, in the presence of URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
To Be Published
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5K6T
 | | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | | 著者 | Garcia, M.D, Lonhienne, T, Guddat, L.W. | | 登録日 | 2016-05-25 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.763 Å) | | 主引用文献 | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5DTJ
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5MMV
 | | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | | 分子名称: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | 著者 | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | 登録日 | 2016-12-12 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
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6I6M
 | | Papaver somniferum O-methyltransferase 1 | | 分子名称: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. | | 登録日 | 2018-11-15 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
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