Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches

• Tomohiro Sato,
• Katsuhiko Sekimata,
• Naoki Sakai,
• Hisami Watanabe,
• Chiemi Mishima-Tsumagari,
• Tomonori Taguri,
• Takehisa Matsumoto,
• Yoshifumi Fujii,
• Noriko Handa,
• Akiko Tanaka,
• Mikako Shirouzu,
• Shigeyuki Yokoyama,
• Yoshinobu Hashizume,
• Kohei Miyazono,
• Hiroo Koyama,
• Teruki Honma

Affiliations

Tomohiro Sato

Drug Discovery Computational Chemistry Platform Unit, RIKEN Center for Biosystems Dynamics Research, Yokohama, Japan

Katsuhiko Sekimata

Drug Discovery Chemistry Platform Unit, RIKEN Center for Sustainable Resource Science, Wako, Saitama, Japan

Naoki Sakai

Drug Discovery Structural Biology Platform Unit, RIKEN Center for Biosystems Dynamics Research, Yokohama, Japan

Hisami Watanabe

Drug Discovery Structural Biology Platform Unit, RIKEN Center for Biosystems Dynamics Research, Yokohama, Japan

Chiemi Mishima-Tsumagari

Drug Discovery Structural Biology Platform Unit, RIKEN Center for Biosystems Dynamics Research, Yokohama, Japan

Tomonori Taguri

Drug Discovery Chemistry Platform Unit, RIKEN Center for Sustainable Resource Science, Wako, Saitama, Japan

Takehisa Matsumoto

Drug Discovery Structural Biology Platform Unit, RIKEN Center for Biosystems Dynamics Research, Yokohama, Japan

Yoshifumi Fujii

Crystallographic Drug Discovery Platform Unit, RIKEN Systems and Structural Biology Center, Yokohama, Japan

Noriko Handa

Crystallographic Drug Discovery Platform Unit, RIKEN Systems and Structural Biology Center, Yokohama, Japan

Akiko Tanaka

Drug Discovery Structural Biology Platform Unit, RIKEN Center for Biosystems Dynamics Research, Yokohama, Japan

Mikako Shirouzu

Drug Discovery Structural Biology Platform Unit, RIKEN Center for Biosystems Dynamics Research, Yokohama, Japan

Shigeyuki Yokoyama

Crystallographic Drug Discovery Platform Unit, RIKEN Systems and Structural Biology Center, Yokohama, Japan

Yoshinobu Hashizume

RIKEN Program for Drug Discovery and Medical Technology Platforms, Wako, Saitama, Japan

Kohei Miyazono

Department of Molecular Pathology, Graduate School of Medicine, The University of Tokyo, Tokyo, Japan

Hiroo Koyama

Drug Discovery Chemistry Platform Unit, RIKEN Center for Sustainable Resource Science, Wako, Saitama, Japan

Teruki Honma

Drug Discovery Computational Chemistry Platform Unit, RIKEN Center for Biosystems Dynamics Research, Yokohama, Japan