5XHZ
 
 | | Crystal Structure Analysis of CIN85-SH3B in complex with ARAP1-P2 | | Descriptor: | ACETATE ION, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, ... | | Authors: | Liu, W, Yang, W. | | Deposit date: | 2017-04-25 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.319 Å) | | Cite: | Biochemical and Structural Studies of the Interaction between ARAP1 and CIN85.
Biochemistry, 57, 2018
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4XLY
 | | The complex structure of KS-D75C with substrate CPP | | Descriptor: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150 | | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | | Deposit date: | 2015-01-14 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
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4XLX
 | | Crystal structure of BjKS from Bradyrhizobium japonicum | | Descriptor: | Uncharacterized protein blr2150 | | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | | Deposit date: | 2015-01-14 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
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5ZU6
 | | A CBM32 derived from alginate lyase B (AlyB-OU02) | | Descriptor: | CBM32 domain, SODIUM ION | | Authors: | Liu, W, Lyu, Q, Zhang, K. | | Deposit date: | 2018-05-07 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and biochemical characterization of a multidomain alginate lyase reveals a novel role of CBM32 in CAZymes
Biochim. Biophys. Acta, 1862, 2018
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5ZU5
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3D6V
 | | Crystal structure of 4-(trifluoromethyldiazirinyl)phenylalanyl-tRNA synthetase | | Descriptor: | 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE, BETA-MERCAPTOETHANOL, Tyrosyl-tRNA synthetase | | Authors: | Liu, W, Tippmann, E, Mack, A.V, Schultz, P.G. | | Deposit date: | 2008-05-20 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A genetically encoded diazirine photocrosslinker in Escherichia coli
ChemBioChem, 8, 2007
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3D6U
 | | Crystal structure of 4-(trifluoromethyldiazirinyl)phenylalanyl-tRNA synthetase | | Descriptor: | 4-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-3-YL]-L-PHENYLALANINE, BETA-MERCAPTOETHANOL, Tyrosyl-tRNA synthetase | | Authors: | Liu, W, Tippmann, E, Mack, A.V, Schultz, P.G. | | Deposit date: | 2008-05-20 | | Release date: | 2008-05-27 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A genetically encoded diazirine photocrosslinker in Escherichia coli
ChemBioChem, 8, 2007
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3TY0
 | | Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione | | Descriptor: | (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | Authors: | Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W. | | Deposit date: | 2011-09-23 | | Release date: | 2011-11-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
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4EIH
 | | Crystal structure of Arg SH2 domain | | Descriptor: | Abelson tyrosine-protein kinase 2, CHLORIDE ION | | Authors: | Liu, W, MacGrath, S.M, Koleske, A.J, Boggon, T.J. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Two Amino Acid Residues Confer Different Binding Affinities of Abelson Family Kinase Src Homology 2 Domains for Phosphorylated Cortactin.
J.Biol.Chem., 289, 2014
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5GL8
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3N07
 | | Structure of putative 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Vibrio cholerae | | Descriptor: | 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, MAGNESIUM ION | | Authors: | Liu, W, Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-05-13 | | Release date: | 2010-08-04 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.
Biochemistry, 52, 2013
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2PXH
 | | Crystal structure of a bipyridylalanyl-tRNA synthetase | | Descriptor: | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE, Tyrosyl-tRNA synthetase | | Authors: | Liu, W, Xie, J, Schultz, P.G. | | Deposit date: | 2007-05-14 | | Release date: | 2008-02-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A genetically encoded bidentate, metal-binding amino acid.
Angew.Chem.Int.Ed.Engl., 46, 2007
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8I0A
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8GTX
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4EN0
 | | Crystal structure of light | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Zhan, C, Liu, W, Patskovsky, Y, Ramagopal, U.A, Bonanno, J.B, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly.
Structure, 22, 2014
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7BZ0
 | | complex structure of alginate lyase AlyF-OU02 with G6 | | Descriptor: | Alginate lyase AlyF-OU02, CALCIUM ION, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid | | Authors: | Liu, W, Lyu, Q, Zhang, K. | | Deposit date: | 2020-04-26 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the substrate-binding cleft of AlyF reveal the first long-chain alginate-binding mode.
Acta Crystallogr D Struct Biol, 77, 2021
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7DMW
 | | Crystal structure of CcpC regulatory domain in complex with citrate from Bacillus amyloliquefaciens | | Descriptor: | CITRATE ANION, CcpC | | Authors: | Chen, J, Wang, L, Shang, F, Liu, W, Chen, Y, Lan, J, Bu, T, Bai, X, Xu, Y. | | Deposit date: | 2020-12-08 | | Release date: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Functional and structural analysis of catabolite control protein C that responds to citrate.
Sci Rep, 11, 2021
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6LNZ
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7FBP
 | | FXIIa-cMCoFx1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1 | | Authors: | Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021
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6KFJ
 | | NMR solution structure of the 1:1 complex of wtTel26 G-quadruplex and a tripodal cationic fluorescent probe NBTE | | Descriptor: | 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide, G-quadruplex DNA wtTel26 | | Authors: | Liu, W, Liu, L.Y, Mao, Z.W. | | Deposit date: | 2019-07-07 | | Release date: | 2020-07-01 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Quantitative Detection of G-Quadruplex DNA in Live Cells Based on Photon Counts and Complex Structure Discrimination.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6KFI
 | | NMR solution structure of the 1:1 complex of Tel26 G-quadruplex and a tripodal cationic fluorescent probe NBTE | | Descriptor: | 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide, G-quadruplex DNA (26-MER) | | Authors: | Liu, W, Liu, L.Y, Mao, Z.W. | | Deposit date: | 2019-07-07 | | Release date: | 2020-07-08 | | Last modified: | 2020-09-23 | | Method: | SOLUTION NMR | | Cite: | Quantitative Detection of G-Quadruplex DNA in Live Cells Based on Photon Counts and Complex Structure Discrimination.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7KX0
 | | Crystal structure of the CD27:CD70 co-stimulatory complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, ... | | Authors: | Maben, Z, Liu, W, Mosyak, L, Chaparro-Riggers, J. | | Deposit date: | 2020-12-02 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural delineation and phase-dependent activation of the costimulatory CD27:CD70 complex.
J.Biol.Chem., 297, 2021
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7EKJ
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4W2R
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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4UXL
 | | Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2014-08-25 | | Release date: | 2015-03-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
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