8SJF
 
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8SJG
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7T92
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4XS6
 | | Salmonella typhimurium AhpC W81F mutant | | 分子名称: | Alkyl hydroperoxide reductase subunit C, POTASSIUM ION | | 著者 | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | 登録日 | 2015-01-21 | | 公開日 | 2016-01-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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8SJI
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7SNU
 | | Crystal structure of ShHTL7 from Striga hermonthica in complex with strigolactone antagonist RG6 | | 分子名称: | 2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol, ACETATE ION, GLYCEROL, ... | | 著者 | Arellano-Saab, A, Stogios, P.J, Skarina, T, Yim, V, Savchenko, A, McCourt, P. | | 登録日 | 2021-10-28 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | A novel strigolactone receptor antagonist provides insights into the structural inhibition, conditioning, and germination of the crop parasite Striga.
J.Biol.Chem., 298, 2022
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7SZU
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8ST7
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7T7I
 | | EBV nuclear egress complex | | 分子名称: | Nuclear egress protein 1, Nuclear egress protein 2, ZINC ION | | 著者 | Thorsen, M.K, Heldwein, E.E. | | 登録日 | 2021-12-15 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3.97 Å) | | 主引用文献 | The nuclear egress complex of Epstein-Barr virus buds membranes through an oligomerization-driven mechanism.
Plos Pathog., 18, 2022
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8SDB
 | | Crystal Structure of E.Coli Branching Enzyme in complex with malto-octose | | 分子名称: | 1,4-alpha-glucan branching enzyme GlgB, alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | 著者 | Bingham, C.R, Nayebi, H, Fawaz, R, Geiger, J.H. | | 登録日 | 2023-04-06 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Structure of Maltooctaose-Bound Escherichia coli Branching Enzyme Suggests a Mechanism for Donor Chain Specificity.
Molecules, 28, 2023
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7T5W
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8ST8
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8ST9
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8SLU
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa) | | 分子名称: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | 著者 | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | 登録日 | 2023-04-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
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7ZIB
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0635 inhibitor | | 分子名称: | 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | 著者 | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | | 登録日 | 2022-04-07 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
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7ZI8
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor | | 分子名称: | 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | 著者 | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | | 登録日 | 2022-04-07 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
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8SLS
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa) | | 分子名称: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | 著者 | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | 登録日 | 2023-04-24 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
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8SX4
 | | Crystal Structure of eIF4e in complex with Compound 7n | | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E, [(~{Z})-4-[2-azanyl-7-[(5-chloranyl-1~{H}-indol-2-yl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]but-2-enyl]phosphonic acid | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2023-05-19 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.986 Å) | | 主引用文献 | Design of Cell-Permeable Inhibitors of Eukaryotic Translation Initiation Factor 4E (eIF4E) for Inhibiting Aberrant Cap-Dependent Translation in Cancer.
J.Med.Chem., 66, 2023
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4Y2X
 | | Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol | | 分子名称: | 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | 著者 | Amano, Y, Yamaguchi, T. | | 登録日 | 2015-02-10 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
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8SBJ
 | | Co-structure Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform complexed with brain penetrant inhibitors | | 分子名称: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Knapp, M.S, Elling, R.A, Tang, J. | | 登録日 | 2023-04-03 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
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5LVX
 | | Crystal structure of glucocerebrosidase with an inhibitory quinazoline modulator | | 分子名称: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zheng, J, Chen, L, Skinner, O.S, Lansbury, P, Skerlj, R, Mrosek, M, Heunisch, U, Krapp, S, Weigand, S, Charrow, J, Schwake, M, Kelleher, N.L, Silverman, R.B, Krainc, D. | | 登録日 | 2016-09-14 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
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8SG7
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7SNN
 | | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide | | 分子名称: | CHLORIDE ION, Capsid protein p24, IODIDE ION, ... | | 著者 | Bester, S.M, Kvaratskhelia, M. | | 登録日 | 2021-10-28 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
To Be Published
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8SBC
 | | Co-structure of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform and brain penetrant inhibitors | | 分子名称: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | 著者 | Knapp, M.S, Elling, R.A, Tang, J. | | 登録日 | 2023-04-03 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
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5LJQ
 | | Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor | | 分子名称: | 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Ferraroni, M, Supuran, C. | | 登録日 | 2016-07-19 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
J. Med. Chem., 59, 2016
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