5AX6
 
 | | The crystal structure of CofB, the minor pilin subunit of CFA/III from human enterotoxigenic Escherichia coli. | | Descriptor: | ACETATE ION, CofB | | Authors: | Kawahara, K, Oki, K, Fukaksua, F, Maruno, T, Kobayashi, Y, Daisuke, M, Taniguchi, T, Honda, T, Iida, T, Nakamura, S, Ohkubo, T. | | Deposit date: | 2015-07-16 | | Release date: | 2016-03-09 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Homo-trimeric Structure of the Type IVb Minor Pilin CofB Suggests Mechanism of CFA/III Pilus Assembly in Human Enterotoxigenic Escherichia coli
J.Mol.Biol., 428, 2016
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5ZF0
 | | X-ray Structure of the Electron Transfer Complex between Ferredoxin and Photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Kubota-Kawai, H, Mutoh, R, Shinmura, K, Setif, P, Nowaczyk, M, Roegner, M, Ikegami, T, Tanaka, T, Kurisu, G. | | Deposit date: | 2018-03-01 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | X-ray structure of an asymmetrical trimeric ferredoxin-photosystem I complex
Nat Plants, 4, 2018
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8DMY
 | | Cryo-EM structure of cardiac muscle alpha-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | | Deposit date: | 2022-07-09 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structural insights into actin isoforms.
Elife, 12, 2023
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8DNF
 | | Cryo-EM structure of nonmuscle gamma-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 2, ... | | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | | Deposit date: | 2022-07-11 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structural insights into actin isoforms.
Elife, 12, 2023
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8DNH
 | | Cryo-EM structure of nonmuscle beta-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | | Deposit date: | 2022-07-11 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structural insights into actin isoforms.
Elife, 12, 2023
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8DMX
 | | Cryo-EM structure of skeletal muscle alpha-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | | Deposit date: | 2022-07-08 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structural insights into actin isoforms.
Elife, 12, 2023
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7F8K
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6CKX
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5VP1
 | | 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)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ZINC ION, ... | | Authors: | Hoffman, I.D. | | Deposit date: | 2017-05-03 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from 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), for the Treatment of Cognitive Disorders.
Chem. Pharm. Bull., 65, 2017
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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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3PP0
 | | Crystal Structure of the Kinase domain of Human HER2 (erbB2). | | Descriptor: | 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol, Receptor tyrosine-protein kinase erbB-2 | | Authors: | Skene, R.J, Aertgeerts, K, Sogabe, S. | | Deposit date: | 2010-11-23 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein.
J.Biol.Chem., 286, 2011
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3AH2
 | | HA1 subcomponent of botulinum type C progenitor toxin complexed with N-acetylgalactosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, Main hemagglutinin component | | Authors: | Nakamura, T, Tonozuka, T, Ide, A, Yuzawa, T, Oguma, K, Nishikawa, A. | | Deposit date: | 2010-04-13 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Sugar-binding sites of the HA1 subcomponent of Clostridium botulinum type C progenitor toxin
J.Mol.Biol., 376, 2008
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3AH1
 | | HA1 subcomponent of botulinum type C progenitor toxin complexed with N-acetylneuramic acid | | Descriptor: | Main hemagglutinin component, N-acetyl-beta-neuraminic acid | | Authors: | Nakamura, T, Tonozuka, T, Ide, A, Yuzawa, T, Oguma, K, Nishikawa, A. | | Deposit date: | 2010-04-13 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Sugar-binding sites of the HA1 subcomponent of Clostridium botulinum type C progenitor toxin
J.Mol.Biol., 376, 2008
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3VJN
 | | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP. | | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. | | Deposit date: | 2011-10-27 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor.
Oncogene, 32, 2013
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3VJO
 | | Crystal structure of the wild-type EGFR kinase domain in complex with AMPPNP. | | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. | | Deposit date: | 2011-10-27 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor.
Oncogene, 32, 2013
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3W32
 | | EGFR kinase domain complexed with compound 20a | | Descriptor: | 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | Authors: | Sogabe, S, Kawakita, Y. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
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5OCG
 | | Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H. | | Deposit date: | 2017-06-30 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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1DPO
 | | STRUCTURE OF RAT TRYPSIN | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Stroud, R.M. | | Deposit date: | 1997-03-31 | | Release date: | 1997-07-07 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | 1.59 A structure of trypsin at 120 K: comparison of low temperature and room temperature structures.
Proteins, 10, 1991
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5OCO
 | | Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H. | | Deposit date: | 2017-07-03 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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5OCT
 | | Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H. | | Deposit date: | 2017-07-03 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
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3WI2
 | | Crystal structure of PDE10A in complex with inhibitor | | Descriptor: | 2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Amano, Y. | | Deposit date: | 2013-09-04 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Design and synthesis of novel benzimidazole derivatives as phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition.
Bioorg.Med.Chem., 21, 2013
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3W33
 | | EGFR kinase domain complexed with compound 19b | | Descriptor: | 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | Authors: | Sogabe, S, Kawakita, Y. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
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7XK8
 | | Cryo-EM structure of the Neuromedin U receptor 2 (NMUR2) in complex with G Protein and its endogeneous Peptide-Agonist NMU25 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Zhao, W, Wenru, Z, Mu, W, Minmin, L, Shutian, C, Tingting, T, Gisela, S, Holger, W, Albert, B, Cuiying, Y, Xiaojing, C, Han, S, Wu, B, Zhao, Q. | | Deposit date: | 2022-04-19 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Ligand recognition and activation of neuromedin U receptor 2.
Nat Commun, 13, 2022
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7VTJ
 | | The cross-reaction complex structure with VQIIYK peptide and tau antibody's Fab domain. | | Descriptor: | Heavy chain of Fab, Light chain of Fab, VQIIYK peptide | | Authors: | Tsuchida, T, Fukuhara, N, Tsuchiya, T, Miyamoto, K, In, Y, Minoura, K, Taniguchi, Y, Ishida, T, Tomoo, K. | | Deposit date: | 2021-10-29 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The cross-reaction complex structure with VQIIYK peptide and tau antibody's Fab domain.
To Be Published
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3UG1
 | | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor | | Authors: | Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2011-11-02 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor
Oncogene, 32, 2013
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