5Z1R
 
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | Deposit date: | 2017-12-28 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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5Z1T
 | | Crystal Structure Analysis of the BRD4(1) | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | Deposit date: | 2017-12-28 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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7EMN
 | | The atomic structure of SHP2 E76A mutant | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Luo, F, Xie, J.J, Zhu, J.D, Liu, C. | | Deposit date: | 2021-04-14 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
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1GH2
 | | Crystal structure of the catalytic domain of a new human thioredoxin-like protein | | Descriptor: | THIOREDOXIN-LIKE PROTEIN | | Authors: | Jin, J, Chen, X, Guo, Q, Yuan, J, Qiang, B, Rao, Z. | | Deposit date: | 2000-11-01 | | Release date: | 2001-05-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of the catalytic domain of a human thioredoxin-like protein.
Eur.J.Biochem., 269, 2002
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7XV8
 | | Crystal structure of the Human TR4 DNA-Binding Domain Homodimer Bound to DR1 Response Element | | Descriptor: | DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*GP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*A)-3'), Nuclear receptor subfamily 2 group C member 2, ... | | Authors: | Liu, Y, Chen, Z. | | Deposit date: | 2022-05-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.199 Å) | | Cite: | Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
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7XVA
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7XV9
 | | Crystal structure of the Human TR4 DNA-Binding Domain | | Descriptor: | Nuclear receptor subfamily 2 group C member 2, ZINC ION | | Authors: | Liu, Y, Chen, Z. | | Deposit date: | 2022-05-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Structures of human TR4LBD-JAZF1 and TR4DBD-DNA complexes reveal the molecular basis of transcriptional regulation.
Nucleic Acids Res., 51, 2023
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7XV6
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8J2F
 | | Human neutral shpingomyelinase | | Descriptor: | HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ... | | Authors: | Zhang, S.S. | | Deposit date: | 2023-04-14 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2)
Nat Commun, 14, 2023
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7CHV
 | | Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid | | Descriptor: | 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Li, G.-B. | | Deposit date: | 2020-07-06 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021
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7DML
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7E9A
 | | Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S)) | | Descriptor: | 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid, ACETIC ACID, Beta-lactamase, ... | | Authors: | Li, G.-B, Yan, Y.-H. | | Deposit date: | 2021-03-03 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance.
Chem.Commun.(Camb.), 57, 2021
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2K86
 | | Solution Structure of FOXO3a Forkhead domain | | Descriptor: | Forkhead box protein O3 | | Authors: | Wang, F, Marshall, C.B, Li, G, Plevin, M.J, Ikura, M. | | Deposit date: | 2008-09-02 | | Release date: | 2008-10-14 | | Last modified: | 2020-02-19 | | Method: | SOLUTION NMR | | Cite: | Biochemical and structural characterization of an intramolecular interaction in FOXO3a and its binding with p53.
J.Mol.Biol., 384, 2008
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4U68
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5F5M
 | | Crystal structure of Marburg virus nucleoprotein core domain | | Descriptor: | Nucleoprotein | | Authors: | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | | Deposit date: | 2015-12-04 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
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5F5O
 | | Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide | | Descriptor: | Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION | | Authors: | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | | Deposit date: | 2015-12-04 | | Release date: | 2017-05-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
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4XH7
 | | Crystal structure of MUPP1 PDZ4 | | Descriptor: | IMIDAZOLE, Multiple PDZ domain protein | | Authors: | Liu, Z, Zhu, H, Liu, W. | | Deposit date: | 2015-01-05 | | Release date: | 2015-03-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Biochemical and structural characterization of MUPP1-PDZ4 domain from Mus musculus.
Acta Biochim.Biophys.Sin., 47, 2015
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7F6W
 | | Crystal structure of Saccharomyces cerevisiae lysyl-tRNA Synthetase | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Lysine--tRNA ligase | | Authors: | Wu, S, Li, P, Hei, Z, Zheng, L, Wang, J, Fang, P. | | Deposit date: | 2021-06-26 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.607 Å) | | Cite: | Human lysyl-tRNA synthetase evolves a dynamic structure that can be stabilized by forming complex.
Cell.Mol.Life Sci., 79, 2022
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5KVT
 | | THE STRUCTURE OF TRKA KINASE DOMAIN BOUND TO THE INHIBITOR ENTRECTINIB | | Descriptor: | Entrectinib, GLYCEROL, High affinity nerve growth factor receptor | | Authors: | Jin, L, Yan, S, Wei, G, Li, G, Harris, J, Vernier, J.-M. | | Deposit date: | 2016-07-15 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Antitumor Activity and Safety of the Pan-TRK, ROS1, and ALK inhibitor Entrectinib (RXDX-101): Combined Results from Two Phase I Trials
To Be Published
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6A72
 | | Copper transporter protein | | Descriptor: | ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum | | Authors: | Chen, W.B. | | Deposit date: | 2018-07-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
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6AH3
 | | Cryo-EM structure of yeast Ribonuclease P with pre-tRNA substrate | | Descriptor: | MAGNESIUM ION, RNases MRP/P 32.9 kDa subunit, Ribonuclease P RNA, ... | | Authors: | Lan, P, Tan, M, Wu, J, Lei, M. | | Deposit date: | 2018-08-16 | | Release date: | 2018-10-17 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Structural insight into precursor tRNA processing by yeast ribonuclease P.
Science, 362, 2018
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6A71
 | | Crystal Structure of Human ATP7B and TM Complex | | Descriptor: | ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chen, W.B. | | Deposit date: | 2018-06-30 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
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6AGB
 | | Cryo-EM structure of yeast Ribonuclease P | | Descriptor: | RNases MRP/P 32.9 kDa subunit, Ribonuclease P RNA, Ribonuclease P protein subunit RPR2, ... | | Authors: | Lan, P, Tan, M, Wu, J, Lei, M. | | Deposit date: | 2018-08-10 | | Release date: | 2018-10-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Structural insight into precursor tRNA processing by yeast ribonuclease P.
Science, 362, 2018
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6AY2
 | | Structure of CathB with covalently linked Compound 28 | | Descriptor: | Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide | | Authors: | Kiefer, J.R, Steinbacher, S. | | Deposit date: | 2017-09-07 | | Release date: | 2017-12-27 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity.
J. Med. Chem., 61, 2018
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7KPW
 | | Structure of the H-lobe of yeast CKM | | Descriptor: | Mediator of RNA polymerase II transcription subunit 12 | | Authors: | Li, Y.C, Chao, T.C, Kim, H.J, Cholko, T, Chen, S.F, Nakanishi, K, Chang, C.E, Murakami, K, Garcia, B.A, Boyer, T.G, Tsai, K.L. | | Deposit date: | 2020-11-12 | | Release date: | 2021-01-27 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module.
Sci Adv, 7, 2021
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