4WHG
 
 | | Crystal Structure of TR3 LBD in complex with Molecule 3 | | Descriptor: | 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
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3UTD
 | | Ec_IspH in complex with 4-oxopentyl diphosphate | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3UV7
 | | Ec_IspH in complex with buta-2,3-dienyl diphosphate (1300) | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, buta-2,3-dien-1-yl trihydrogen diphosphate | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-29 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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2XUV
 | | The structure of HdeB | | Descriptor: | HDEB, SULFATE ION | | Authors: | Naismith, J.H, Wang, W. | | Deposit date: | 2010-10-21 | | Release date: | 2011-08-24 | | Last modified: | 2012-01-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Salt Bridges Regulate Both Dimer Formation and Monomeric Flexibility in Hdeb and May Have a Role in Periplasmic Chaperone Function.
J.Mol.Biol., 415, 2012
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5VZX
 | | Crystal structure of crenezumab Fab | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Crenezumab Fab heavy chain, ... | | Authors: | Ultsch, M, Wang, W. | | Deposit date: | 2017-05-29 | | Release date: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
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7MDP
 | | KRas G12C in complex with G-2897 | | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ... | | Authors: | Oh, A, Frank, Y, Wang, W. | | Deposit date: | 2021-04-05 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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4FK3
 | | B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 | | Descriptor: | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Zhang, Y, Wang, W, Zhang, K.Y.J. | | Deposit date: | 2012-06-12 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity.
Proc.Natl.Acad.Sci.USA, 105, 2008
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5VZY
 | | Crystal structure of crenezumab Fab in complex with Abeta | | Descriptor: | Amyloid beta A4 protein, Crenezumab Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Crenezumab Fab light chain,Immunoblobulin light chain | | Authors: | Ultsch, M, Wang, W. | | Deposit date: | 2017-05-29 | | Release date: | 2017-08-09 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
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4O10
 | | Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase | | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-7-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Wang, W. | | Deposit date: | 2013-12-14 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
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4O28
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-17 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O1D
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.705 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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5E06
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5E05
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5WBS
 | | Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21 | | Descriptor: | Frizzled-7,inhibitor peptide Fz7-21 | | Authors: | Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W. | | Deposit date: | 2017-06-29 | | Release date: | 2018-04-18 | | Last modified: | 2018-05-30 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
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4O18
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O17
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O1A
 | | The crystal structure of the mutant NAMPT G217R | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O1B
 | | The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866 | | Descriptor: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O12
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5VRQ
 | | Crystal structure of Legionella pneumophila effector AnkC | | Descriptor: | Ankyrin repeat-containing protein | | Authors: | Kozlov, G, Wong, K, Wang, W, Skubak, P, Munoz-Escobar, J, Liu, Y, Pannu, N.S, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2017-05-11 | | Release date: | 2017-11-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.205 Å) | | Cite: | Ankyrin repeats as a dimerization module.
Biochem. Biophys. Res. Commun., 495, 2018
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4O0V
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4O0X
 | | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | | Descriptor: | 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol, Serine/threonine-protein kinase PAK 4 | | Authors: | Rouge, L, Tam, C, Wang, W. | | Deposit date: | 2013-12-14 | | Release date: | 2014-02-12 | | Last modified: | 2014-11-05 | | Method: | X-RAY DIFFRACTION (2.483 Å) | | Cite: | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
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4O8O
 | | Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, bound to alpha-L-arabinose | | Descriptor: | Alpha-L-arabinofuranosidase, CALCIUM ION, alpha-L-arabinofuranose | | Authors: | Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A. | | Deposit date: | 2013-12-28 | | Release date: | 2014-07-02 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Elucidation of the molecular basis for arabinoxylan-debranching activity of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus.
Appl.Environ.Microbiol., 80, 2014
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4O6E
 | | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 | | Descriptor: | Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2013-12-20 | | Release date: | 2014-05-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
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8GZ4
 | | Crystal structure of MPXV phosphatase | | Descriptor: | Dual specificity protein phosphatase H1, PHOSPHATE ION | | Authors: | Yang, H.T, Wang, W, Huang, H.J, Ji, X.Y. | | Deposit date: | 2022-09-25 | | Release date: | 2023-05-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Crystal structure of monkeypox H1 phosphatase, an antiviral drug target.
Protein Cell, 14, 2023
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