Entry | Database: PDB / ID: 6k9u |
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Title | Discovery of Pyrazolo[1,5-a]pyrimidine Derivative as a Highly Selective PDE10A Inhibitor |
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Components | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A |
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Keywords | HYDROLASE / Enzyme / PDE / BBB / brain penetration / crystatl structure / inhibitor / schizophrenia |
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Function / homology | Function and homology information
cyclic-nucleotide phosphodiesterase activity / cGMP effects / G alpha (s) signalling events / regulation of protein kinase A signaling / regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway / negative regulation of cAMP-mediated signaling / cGMP-stimulated cyclic-nucleotide phosphodiesterase activity / 3',5'-cyclic-nucleotide phosphodiesterase / negative regulation of cGMP-mediated signaling / cGMP catabolic process ...cyclic-nucleotide phosphodiesterase activity / cGMP effects / G alpha (s) signalling events / regulation of protein kinase A signaling / regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway / negative regulation of cAMP-mediated signaling / cGMP-stimulated cyclic-nucleotide phosphodiesterase activity / 3',5'-cyclic-nucleotide phosphodiesterase / negative regulation of cGMP-mediated signaling / cGMP catabolic process / cAMP catabolic process / 3',5'-cyclic-nucleotide phosphodiesterase activity / cGMP binding / 3',5'-cyclic-GMP phosphodiesterase activity / 3',5'-cyclic-AMP phosphodiesterase activity / cAMP binding / cAMP-mediated signaling / perikaryon / neuronal cell body / metal ion binding / cytosolSimilarity search - Function Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase / GAF domain / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase, conserved site / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain superfamily / 3'5'-cyclic nucleotide phosphodiesterase / 3'5'-cyclic nucleotide phosphodiesterase domain signature. / 3'5'-cyclic nucleotide phosphodiesterase domain profile. ...Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase / GAF domain / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase, conserved site / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain superfamily / 3'5'-cyclic nucleotide phosphodiesterase / 3'5'-cyclic nucleotide phosphodiesterase domain signature. / 3'5'-cyclic nucleotide phosphodiesterase domain profile. / Domain present in phytochromes and cGMP-specific phosphodiesterases. / GAF domain / GAF-like domain superfamily / Metal dependent phosphohydrolases with conserved 'HD' motif. / HD/PDEase domain / Orthogonal Bundle / Mainly AlphaSimilarity search - Domain/homology |
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Biological species | ![](img/tx_mammal.gif) Rattus norvegicus (Norway rat) |
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Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.35 Å |
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Authors | Takedomi, K. / Koizumi, Y. |
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Citation | Journal: Bioorg.Med.Chem. / Year: 2019 Title: Discovery of a pyrazolo[1,5-a]pyrimidine derivative (MT-3014) as a highly selective PDE10A inhibitor via core structure transformation from the stilbene moiety. Authors: Koizumi, Y. / Tanaka, Y. / Matsumura, T. / Kadoh, Y. / Miyoshi, H. / Hongu, M. / Takedomi, K. / Kotera, J. / Sasaki, T. / Taniguchi, H. / Watanabe, Y. / Takakuwa, M. / Kojima, K. / Baba, N. ...Authors: Koizumi, Y. / Tanaka, Y. / Matsumura, T. / Kadoh, Y. / Miyoshi, H. / Hongu, M. / Takedomi, K. / Kotera, J. / Sasaki, T. / Taniguchi, H. / Watanabe, Y. / Takakuwa, M. / Kojima, K. / Baba, N. / Nakamura, I. / Kawanishi, E. |
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History | Deposition | Jun 18, 2019 | Deposition site: PDBJ / Processing site: PDBJ |
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Revision 1.0 | Jul 17, 2019 | Provider: repository / Type: Initial release |
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Revision 1.1 | Aug 7, 2019 | Group: Data collection / Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last |
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Revision 1.2 | Mar 27, 2024 | Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_unobs_or_zero_occ_atoms / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id |
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