Author results

6NFI
  • Download 6nfi
  • View 6nfi
Molmil generated image of 6nfi
BTK IN COMPLEX WITH INHIBITOR N-(3-{[(2,6-DIMETHYLPHENYL)METHYL]AMINO}-7-METHOXYINDENO[1,2-C]PYRAZOL-6-YL)METHANESULFONAMIDE
分子名称:Tyrosine-protein kinase BTK, N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide, SULFATE ION
著者Damm-Ganamet, K.L., Mirzadegan, T.
登録日2018-12-20
公開日2019-03-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J Chem Inf Model, 2019
6NFH
  • Download 6nfh
  • View 6nfh
Molmil generated image of 6nfh
BTK IN COMPLEX WITH INHIBITOR 8-(2,3-DIHYDRO-1H-INDEN-5-YL)-2-({4-[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPOXY]PHENYL}AMINO)-5,8-DIHYDROPTERIDINE-6,7-DIONE
分子名称:Tyrosine-protein kinase BTK, 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione, 1,2-ETHANEDIOL
著者Mirzadegan, T., Damm-Ganamet, K.L.
登録日2018-12-20
公開日2019-03-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J Chem Inf Model, 2019
5BVB
  • Download 5bvb
  • View 5bvb
Molmil generated image of 5bvb
ENGINEERED DIGOXIGENIN BINDER DIG5.1A
分子名称:DIG5.1a, DIGOXIGENIN
著者Doyle, L.A., Stoddard, B.L.
登録日2015-06-04
公開日2015-10-28
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016