4JKE
 
 | | Open and closed forms of T1789P human PRP8 RNase H-like domain with bound Mg ion | | 分子名称: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | | 著者 | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | | 登録日 | 2013-03-09 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation.
Nat.Struct.Mol.Biol., 20, 2013
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4JKA
 | | Open and closed forms of R1865A human PRP8 RNase H-like domain with bound Co ion | | 分子名称: | CHLORIDE ION, COBALT (II) ION, Pre-mRNA-processing-splicing factor 8 | | 著者 | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | | 登録日 | 2013-03-09 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation.
Nat.Struct.Mol.Biol., 20, 2013
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7EVJ
 | | Crystal structure of CBP bromodomain liganded with 9c | | 分子名称: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ... | | 著者 | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | 登録日 | 2021-05-21 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
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4JKG
 | | Open and closed forms of mixed T1789P+R1865A and R1865A human PRP8 RNase H-like domain with bound Mg ion | | 分子名称: | MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8 | | 著者 | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K.A, MacMillan, A.M. | | 登録日 | 2013-03-09 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation.
Nat.Struct.Mol.Biol., 20, 2013
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3BS1
 | | Structure of the Staphylococcus aureus AgrA LytTR Domain Bound to DNA Reveals a Beta Fold with a Novel Mode of Binding | | 分子名称: | Accessory gene regulator protein A, DNA (5'-D(*DAP*DAP*(BRU)P*DAP*DCP*DTP*DTP*DAP*DAP*DCP*DTP*DGP*DTP*DTP*DAP*DA)-3'), DNA (5'-D(*DTP*DTP*DTP*DAP*DAP*DCP*DAP*DGP*DTP*DTP*DAP*DAP*DGP*(BRU)P*DAP*DT)-3'), ... | | 著者 | Sidote, D.J, Barbieri, C, Wu, T, Stock, A.M. | | 登録日 | 2007-12-21 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure of the Staphylococcus aureus AgrA LytTR Domain Bound to DNA Reveals a Beta Fold with an Unusual Mode of Binding.
Structure, 16, 2008
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2FOJ
 | | The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with p53 peptide 364-367 | | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, p53 peptide | | 著者 | Saridakis, V, Sheng, Y, Sarkari, F, Duan, S, Wu, T, Arrowsmith, C.H, Frappier, L. | | 登録日 | 2006-01-13 | | 公開日 | 2006-02-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Molecular recognition of p53 and MDM2 by USP7/HAUSP
Nat.Struct.Mol.Biol., 13, 2006
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2FOP
 | | The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with mdm2 peptide 147-150 | | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, mdm2 peptide | | 著者 | Saridakis, V, Sheng, Y, Sarkari, F, Duan, S, Wu, T, Arrowsmith, C.H, Frappier, L. | | 登録日 | 2006-01-13 | | 公開日 | 2006-02-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Molecular recognition of p53 and MDM2 by USP7/HAUSP
Nat.Struct.Mol.Biol., 13, 2006
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2FOO
 | | The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with p53 peptide 359-362 | | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, p53 peptide | | 著者 | Saridakis, V, Sheng, Y, Sarkari, F, Duan, S, Wu, T, Arrowsmith, C.H, Frappier, L. | | 登録日 | 2006-01-13 | | 公開日 | 2006-02-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Molecular recognition of p53 and MDM2 by USP7/HAUSP
Nat.Struct.Mol.Biol., 13, 2006
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7XIJ
 | | Crystal structure of CBP bromodomain liganded with Y08175 | | 分子名称: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | 登録日 | 2022-04-13 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Crystal structure of CBP bromodomain liganded with Y08175
To Be Published
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7XNE
 | | Crystal structure of CBP bromodomain liganded with Y08284 | | 分子名称: | CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide | | 著者 | Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y. | | 登録日 | 2022-04-28 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
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8GYT
 | | Cryo-EM structure of human Pannexin-3 R36S/F40R variant in pre-open state. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pannexin-3 | | 著者 | Cong, Y, Jin, X, Kong, F, Wu, T, Yan, C. | | 登録日 | 2022-09-23 | | 公開日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | | 主引用文献 | Inner channel lipids regulated gating mechanism of human pannexins.
To Be Published
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5V9U
 | | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | | 分子名称: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | 著者 | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | | 登録日 | 2017-03-23 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
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8DZJ
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7DHS
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4 | | 著者 | Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y. | | 登録日 | 2020-11-17 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Y06014 is a selective BET inhibitor for the treatment of prostate cancer.
Acta Pharmacol.Sin., 42, 2021
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6X00
 | | Structure of DbNA(11) peptides bound to H-2Db MHC-I | | 分子名称: | Beta-2-microglobulin, Epitope from Neuraminidase Protein (NA-181-191), H-2 class I histocompatibility antigen, ... | | 著者 | Farenc, C, Rossjohn, J. | | 登録日 | 2020-05-14 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Overlapping Peptides Elicit Distinct CD8 + T Cell Responses following Influenza A Virus Infection.
J Immunol., 205, 2020
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6WZY
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6O5I
 | | Menin in complex with MI-3454 | | 分子名称: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | | 著者 | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | | 登録日 | 2019-03-03 | | 公開日 | 2020-01-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.24025619 Å) | | 主引用文献 | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia.
J.Clin.Invest., 130, 2020
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6KSF
 | | Crystal Structure of ALKBH1 bound to 21-mer DNA bulge | | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase alkB homolog 1, CHLORIDE ION, DNA (5'-D(*DGP*DCP*DTP*DGP*DAP*DGP*DTP*DGP*DCP*DCP*DCP*DGP*DCP*DGP*DTP*DGP*DCP*DTP*DGP*DGP*DAP*DTP*DCP*DC)-3'), ... | | 著者 | Li, H, Zhang, M. | | 登録日 | 2019-08-23 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA.
Cell Res., 30, 2020
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8F5U
 | | Rabbit muscle pyruvate kinase in complex with magnesium, potassium and pyruvate | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | 著者 | Holyoak, T, Fenton, A.W. | | 登録日 | 2022-11-15 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
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8F5T
 | | Rabbit muscle pyruvate kinase in complex with sodium and magnesium | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Holyoak, T, Fenton, A.W. | | 登録日 | 2022-11-15 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
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8F6M
 | | Complex of Rabbit muscle pyruvate kinase with ADP and the phosphonate analogue of PEP mimicking the Michaelis complex. | | 分子名称: | (E)-2-METHYL-3-PHOSPHONOACRYLATE, ADENOSINE-5'-DIPHOSPHATE, ALANINE, ... | | 著者 | Holyoak, T, Fenton, A.W. | | 登録日 | 2022-11-16 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
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5IPJ
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5EOL
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7KQP
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | | 分子名称: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-17 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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7KQW
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) | | 分子名称: | Non-structural protein 3 | | 著者 | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | 登録日 | 2020-11-17 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | | 主引用文献 | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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