8AE7
 
 | | The strucuture of Compound 15 bound to CK2alpha | | 分子名称: | 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D. | | 登録日 | 2022-07-12 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
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6UQ0
 | | RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 4 | | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | 著者 | Oh, J, Wang, D. | | 登録日 | 2019-10-18 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.56 Å) | | 主引用文献 | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8F7F
 | | The condensation domain of surfactin A synthetase C in space group P43212 | | 分子名称: | GLYCEROL, Surfactin synthetase | | 著者 | Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | | 登録日 | 2022-11-18 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
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6UPX
 | | RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 1 | | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | 著者 | Oh, J, Wang, D. | | 登録日 | 2019-10-18 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8F9X
 | | Cyclase-PTE | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Ji, D, Frkic, R.L, Jackson, C.J. | | 登録日 | 2022-11-24 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Cyclase-PTE
To Be Published
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7QKC
 | | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | | 分子名称: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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4X62
 | | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | | 分子名称: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | 著者 | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | | 登録日 | 2014-12-06 | | 公開日 | 2015-11-18 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (3.4492 Å) | | 主引用文献 | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
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4X65
 | | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | | 分子名称: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | 著者 | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | | 登録日 | 2014-12-06 | | 公開日 | 2015-11-18 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (3.345 Å) | | 主引用文献 | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
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6E0I
 | | Crystal structure of Glucokinase in complex with compound 72 | | 分子名称: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ... | | 著者 | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | | 登録日 | 2018-07-06 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.
Bioorg.Med.Chem., 28, 2020
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8AEM
 | | Structure of Compound 13 bound to CK2alpha | | 分子名称: | 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M. | | 登録日 | 2022-07-13 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
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7P99
 | | Structure of human USPL1 in complex with SUMO2 | | 分子名称: | SUMO-specific isopeptidase USPL1, Small ubiquitin-related modifier, ZINC ION | | 著者 | Reverter, D, Ying, L. | | 登録日 | 2021-07-26 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for the SUMO protease activity of the atypical ubiquitin-specific protease USPL1.
Nat Commun, 13, 2022
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4XB6
 | | Structure of the E. coli C-P lyase core complex | | 分子名称: | Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, ... | | 著者 | Brodersen, D.E. | | 登録日 | 2014-12-16 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural insights into the bacterial carbon-phosphorus lyase machinery.
Nature, 525, 2015
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8UFK
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6V0K
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8UFZ
 | | Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGCGGAAGTG) in Ternary Complex with DB1976 | | 分子名称: | (2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*TP*TP*AP*T)-3'), ... | | 著者 | Terrell, J.R, Poon, G.M.K, Wilson, W.D. | | 登録日 | 2023-10-05 | | 公開日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Structural studies on the PU.1 inhibitory mechanism by diamidine minor groove binders
To Be Published
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8AYL
 | | Resting state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and ligand JNJ-61432059 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one, ... | | 著者 | Zhang, D, Lape, R, Shaikh, S, Kohegyi, B, Watson, J.F, Cais, O, Nakagawa, T, Greger, I. | | 登録日 | 2022-09-02 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics.
Nat Commun, 14, 2023
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5I2Z
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24). | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | 登録日 | 2016-02-09 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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5LJN
 | | Structure of the HOIP PUB domain bound to SPATA2 PIM peptide | | 分子名称: | E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ... | | 著者 | Elliott, P.R, Komander, D. | | 登録日 | 2016-07-18 | | 公開日 | 2016-08-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
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6XMK
 | | 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j | | 分子名称: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-06-30 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
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7LK5
 | | X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 3 | | 分子名称: | L(+)-TARTARIC ACID, Thaumatin I | | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | | 登録日 | 2021-02-01 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7LND
 | | X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 4 (merged) | | 分子名称: | L(+)-TARTARIC ACID, Thaumatin I | | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | | 登録日 | 2021-02-06 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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6L84
 | | Complex of DNA polymerase IV and D-DNA duplex | | 分子名称: | CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(P*CP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | 著者 | Chung, H.S, An, J, Hwang, D. | | 登録日 | 2019-11-04 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.602 Å) | | 主引用文献 | The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020
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5LOX
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7LNC
 | | X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 3 (merged) | | 分子名称: | L(+)-TARTARIC ACID, Thaumatin I | | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | | 登録日 | 2021-02-06 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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8V6K
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