2D57
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![BU of 2d57 by Molmil](/molmil-images/mine/2d57) | Double layered 2D crystal structure of AQUAPORIN-4 (AQP4M23) at 3.2 a resolution by electron crystallography | Descriptor: | Aquaporin-4 | Authors: | Hiroaki, Y, Tani, K, Kamegawa, A, Gyobu, N, Nishikawa, K, Suzuki, H, Walz, T, Sasaki, S, Mitsuoka, K, Kimura, K, Mizoguchi, A, Fujiyoshi, Y. | Deposit date: | 2005-10-29 | Release date: | 2006-01-31 | Last modified: | 2023-11-08 | Method: | ELECTRON CRYSTALLOGRAPHY (3.2 Å) | Cite: | Implications of the Aquaporin-4 Structure on Array Formation and Cell Adhesion J.Mol.Biol., 355, 2005
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7X7O
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![BU of 7x7o by Molmil](/molmil-images/mine/7x7o) | SARS-CoV-2 spike RBD in complex with neutralizing antibody UT28K | Descriptor: | Spike protein S1, UT28K Fab, heavy chain, ... | Authors: | Ozawa, T, Tani, H, Anraku, Y, Kita, S, Igarashi, E, Saga, Y, Inasaki, N, Kawasuji, H, Yamada, H, Sasaki, S, Somekawa, M, Sasaki, J, Hayakawa, Y, Yamamoto, Y, Morinaga, Y, Kurosawa, N, Isobe, M, Fukuhara, H, Maenaka, K, Hashiguchi, T, Kishi, H, Kitajima, I, Saito, S, Niimi, H. | Deposit date: | 2022-03-10 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | Novel super-neutralizing antibody UT28K is capable of protecting against infection from a wide variety of SARS-CoV-2 variants. Mabs, 14, 2022
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5VP0
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![BU of 5vp0 by Molmil](/molmil-images/mine/5vp0) | Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders | Descriptor: | MAGNESIUM ION, N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, ZINC ION, ... | Authors: | Hoffman, I.D. | Deposit date: | 2017-05-03 | Release date: | 2017-08-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders. J. Med. Chem., 60, 2017
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5F20
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![BU of 5f20 by Molmil](/molmil-images/mine/5f20) | |
5F1Z
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![BU of 5f1z by Molmil](/molmil-images/mine/5f1z) | |
5XKM
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![BU of 5xkm by Molmil](/molmil-images/mine/5xkm) | Crystal structure of human phosphodiesterase 2A in complex with 6-methyl-N-(1-(4-(trifluoromethoxy)phenyl)propyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Descriptor: | 6-methyl-N-[(1R)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, MAGNESIUM ION, ZINC ION, ... | Authors: | Oki, H, Kondo, M, Snell, G, Lane, W. | Deposit date: | 2017-05-08 | Release date: | 2017-08-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of an Orally Bioavailable, Brain-Penetrating, in Vivo Active Phosphodiesterase 2A Inhibitor Lead Series for the Treatment of Cognitive Disorders. J. Med. Chem., 60, 2017
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5XCO
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3WE4
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![BU of 3we4 by Molmil](/molmil-images/mine/3we4) | |
3WF6
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![BU of 3wf6 by Molmil](/molmil-images/mine/3wf6) | Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine | Descriptor: | 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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3WF7
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![BU of 3wf7 by Molmil](/molmil-images/mine/3wf7) | Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide | Descriptor: | 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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3WF5
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![BU of 3wf5 by Molmil](/molmil-images/mine/3wf5) | Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine | Descriptor: | 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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3WF8
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![BU of 3wf8 by Molmil](/molmil-images/mine/3wf8) | Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate | Descriptor: | 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (1.975 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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3WF9
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![BU of 3wf9 by Molmil](/molmil-images/mine/3wf9) | Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate | Descriptor: | (2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.035 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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3A3G
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![BU of 3a3g by Molmil](/molmil-images/mine/3a3g) | Crystal structure of LumP complexed with 6,7-dimethyl-8-(1'-D-ribityl) lumazine | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Lumazine protein | Authors: | Sato, Y. | Deposit date: | 2009-06-12 | Release date: | 2009-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the lumazine protein from Photobacterium kishitanii in complexes with the authentic chromophore, 6,7-dimethyl-8-(1'-D-ribityl) lumazine and its analogues, riboflavin and FMN, at high resolution J.Bacteriol., 192, 2009
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3A3B
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![BU of 3a3b by Molmil](/molmil-images/mine/3a3b) | Crystal structure of LumP complexed with flavin mononucleotide | Descriptor: | FLAVIN MONONUCLEOTIDE, Lumazine protein, RIBOFLAVIN | Authors: | Sato, Y. | Deposit date: | 2009-06-11 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the lumazine protein from Photobacterium kishitanii in complexes with the authentic chromophore, 6,7-dimethyl-8-(1'-D-ribityl) lumazine and its analogues, riboflavin and FMN, at high resolution J.Bacteriol., 192, 2009
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3A35
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![BU of 3a35 by Molmil](/molmil-images/mine/3a35) | Crystal structure of LumP complexed with riboflavin | Descriptor: | Lumazine protein, RIBOFLAVIN | Authors: | Sato, Y. | Deposit date: | 2009-06-09 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.421 Å) | Cite: | Crystal structures of the lumazine protein from Photobacterium kishitanii in complexes with the authentic chromophore, 6,7-dimethyl-8-(1'-D-ribityl) lumazine and its analogues, riboflavin and FMN, at high resolution J.Bacteriol., 192, 2009
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3W5E
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![BU of 3w5e by Molmil](/molmil-images/mine/3w5e) | Crystal structure of phosphodiesterase 4B in complex with compound 31e | Descriptor: | CALCIUM ION, N-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide, ZINC ION, ... | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2013-01-28 | Release date: | 2013-05-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors Bioorg.Med.Chem.Lett., 23, 2013
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3WD9
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![BU of 3wd9 by Molmil](/molmil-images/mine/3wd9) | Crystal structure of phosphodiesterase 4B in complex with compound 10f | Descriptor: | 4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide, CALCIUM ION, ZINC ION, ... | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2013-06-11 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors Bioorg.Med.Chem., 21, 2013
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