4AQF
 
 | | X-ray crystallographic structure of Crimean-congo haemorrhagic fever virus nucleoprotein | | Descriptor: | NUCLEOPROTEIN, SULFATE ION | | Authors: | Wang, Y, Dutta, S, Karlberg, H, Devignot, S, Weber, F, Hao, Q, Tan, Y.J, Mirazimi, A, Kotaka, M. | | Deposit date: | 2012-04-17 | | Release date: | 2012-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of Crimean-Congo Haemorraghic Fever Virus Nucleoprotein: Superhelical Homo-Oligomers and the Role of Caspase-3 Cleavage.
J.Virol., 86, 2012
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4X3O
 | | Sirt2 in complex with a myristoyl peptide | | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | Authors: | Wang, Y, Zhang, W.Z, Hao, Q. | | Deposit date: | 2014-12-01 | | Release date: | 2016-01-13 | | Last modified: | 2022-04-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
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4WX3
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6DV4
 | | HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2018-06-22 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands.
Eur J Med Chem, 160, 2018
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5ZQ4
 | | PDE-Ubi-ADPr | | Descriptor: | ADENOSINE MONOPHOSPHATE, SidE, ubiquitin | | Authors: | Wang, Y, Gao, A, Gao, P. | | Deposit date: | 2018-04-17 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.217 Å) | | Cite: | Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
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4AQG
 | | X-ray crystallographic structure of Crimean-congo haemorrhagic fever virus nucleoprotein | | Descriptor: | NUCLEOPROTEIN, SULFATE ION | | Authors: | Wang, Y, Dutta, S, Karlberg, H, Devignot, S, Weber, F, Hao, Q, Tan, Y.J, Mirazimi, A, Kotaka, M. | | Deposit date: | 2012-04-17 | | Release date: | 2012-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Crimean-Congo Haemorraghic Fever Virus Nucleoprotein: Superhelical Homo-Oligomers and the Role of Caspase-3 Cleavage.
J.Virol., 86, 2012
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4ZIP
 | | HIV-1 wild Type protease with GRL-0648A (a isophthalamide-derived P2-Ligand) | | Descriptor: | CHLORIDE ION, GLYCEROL, N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N'-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-N,5-dimethylbenzene-1,3-dicarboxamide, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands.
Bioorg.Med.Chem.Lett., 25, 2015
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4ZLS
 | | HIV-1 wild Type protease with GRL-096-13A (a Boc-derivative P2-Ligand, 3,-5-dimethylbiphenyl P1-Ligand) | | Descriptor: | ACETATE ION, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2015-05-01 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies.
J.Med.Chem., 58, 2015
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5ZQ3
 | | PDE-Ubiquitin | | Descriptor: | SidE, Ubiquitin | | Authors: | Wang, Y, Gao, A, Gao, P. | | Deposit date: | 2018-04-17 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
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7K0O
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa/ORMDL3, class 3 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0K
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa, 3KS-bound | | Descriptor: | 3-Dehydrosphinganine, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0J
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa protomer | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0Q
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa/ORMDL3, myriocin-bound | | Descriptor: | Myriocin, ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0L
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa, myriocin-bound | | Descriptor: | Myriocin, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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7K0P
 | | Human serine palmitoyltransferase complex SPTLC1/SPLTC2/ssSPTa/ORMDL3, class 4 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Wang, Y, Niu, Y, Zhang, Z, Zhao, H, Myasnikov, A, Kalathur, R, Lee, C.H. | | Deposit date: | 2020-09-04 | | Release date: | 2021-02-24 | | Last modified: | 2021-03-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the regulation of human serine palmitoyltransferase complexes.
Nat.Struct.Mol.Biol., 28, 2021
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8WJY
 | | PKMYT1_Cocrystal_Cpd 4 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | | Deposit date: | 2023-09-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
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8HY7
 | | EGFR kinase domain mutant "TMLR" with compound 28f | | Descriptor: | Epidermal growth factor receptor, ~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide | | Authors: | Wang, Y.X, Wu, C.Y. | | Deposit date: | 2023-01-06 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | The crystal structure of EGFR kinase domain(T790M/L858R) in complex with compound 28f
To Be Published
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5ZQ2
 | | SidE apo form | | Descriptor: | SidE | | Authors: | Wang, Y, Gao, A, Gao, P. | | Deposit date: | 2018-04-17 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
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5ZQ5
 | | SidE-Ubi | | Descriptor: | SidE, Ubiquitin | | Authors: | Wang, Y, Gao, A, Gao, P. | | Deposit date: | 2018-04-17 | | Release date: | 2018-05-23 | | Last modified: | 2018-05-30 | | Method: | X-RAY DIFFRACTION (2.487 Å) | | Cite: | Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Cell, 173, 2018
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6JOH
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5GWI
 | | Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873R | | Descriptor: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ... | | Authors: | Wang, Y.R, Chen, S.F, Wu, C.C, Chan, N.L. | | Deposit date: | 2016-09-12 | | Release date: | 2017-08-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.737 Å) | | Cite: | Producing irreversible topoisomerase II-mediated DNA breaks by site-specific Pt(II)-methionine coordination chemistry
Nucleic Acids Res., 45, 2017
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1D8V
 | | THE RESTRAINED AND MINIMIZED AVERAGE NMR STRUCTURE OF MAP30. | | Descriptor: | ANTI-HIV AND ANTI-TUMOR PROTEIN MAP30 | | Authors: | Wang, Y.-X, Neamati, N, Jacob, J, Palmer, I, Stahl, S.J. | | Deposit date: | 1999-10-26 | | Release date: | 1999-11-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of anti-HIV-1 and anti-tumor protein MAP30: structural insights into its multiple functions.
Cell(Cambridge,Mass.), 99, 1999
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2ROU
 | | Stereospecific Conformations of N2-dG 1R-trans-anti-Benzo[c]phenanthrene DNA Adducts: 3'-Intercalation of the 1R Adduct and 5'-Minor Groove Orientation of the 1S Adduct in an Iterated (CG)3 Repeat | | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, DNA (5'-D(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3'), DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3') | | Authors: | Wang, Y, Kroth, H, Yagi, H, Sayer, J.M, Kumar, S, Jerina, D.M, Stone, M.P. | | Deposit date: | 2008-04-20 | | Release date: | 2009-03-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | 3'-Intercalation of a N2-dG 1R-trans-anti-benzo[c]phenanthrene DNA adduct in an iterated (CG)3 repeat
Chem.Res.Toxicol., 21, 2008
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3DJK
 | | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A | | Descriptor: | (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.F, Weber, I.T. | | Deposit date: | 2008-06-23 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies
J.Med.Chem., 51, 2008
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5EX7
 | | Crystal structure of Brat NHL domain in complex with an 8-nt hunchback mRNA | | Descriptor: | Brain tumor protein, RNA (5'-R(P*UP*UP*UP*GP*UP*UP*GP*U)-3') | | Authors: | Wang, Y, Yu, Z, Wang, M, Liu, C.P, Yang, N, Xu, R.M. | | Deposit date: | 2015-11-23 | | Release date: | 2015-12-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Brat NHL domain in complex with an 8-nt hunchback mRNA
To Be Published
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