4XZF
 
 | | Crystal structure of HIRAN domain of human HLTF in complex with DNA | | Descriptor: | (DA)(DC)(DC)(DG)(DC)(DC)(DG)(DG)(DG)(DT)(DG)(DC)(DC), Helicase-like transcription factor | | Authors: | Hishiki, A, Hashimoto, H. | | Deposit date: | 2015-02-04 | | Release date: | 2015-04-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structure of a Novel DNA-binding Domain of Helicase-like Transcription Factor (HLTF) and Its Functional Implication in DNA Damage Tolerance
J.Biol.Chem., 290, 2015
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7XM1
 | | Cryo-EM structure of mTIP60-Ba (metal-ion induced TIP60 (K67E) complex with barium ions | | Descriptor: | BARIUM ION, TIP60 K67E mutant | | Authors: | Ohara, N, Kawakami, N, Arai, R, Adachi, N, Moriya, T, Kawasaki, M, Miyamoto, K. | | Deposit date: | 2022-04-24 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Reversible Assembly of an Artificial Protein Nanocage Using Alkaline Earth Metal Ions.
J.Am.Chem.Soc., 145, 2023
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6ZN3
 | | Plasmodium facliparum glideosome trimeric sub-complex | | Descriptor: | Myosin A tail domain interacting protein, Myosin essential light chain ELC, Myosin-A | | Authors: | Pazicky, S, Loew, C. | | Deposit date: | 2020-07-06 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural role of essential light chains in the apicomplexan glideosome.
Commun Biol, 3, 2020
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4W4Q
 | | Glucose isomerase structure determined by serial femtosecond crystallography at SACLA | | Descriptor: | CALCIUM ION, Xylose isomerase | | Authors: | Nango, E, Tanaka, T, Sugahara, M, Suzuki, M, Iwata, S. | | Deposit date: | 2014-08-15 | | Release date: | 2014-11-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
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8DOY
 | | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ... | | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | | Deposit date: | 2022-07-14 | | Release date: | 2022-08-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Potent and biostable inhibitors of the main protease of SARS-CoV-2.
Iscience, 25, 2022
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7X5F
 | | Nrf2-MafG heterodimer bound with CsMBE2 | | Descriptor: | Nuclear factor erythroid 2-related factor 2, Synthetic DNA, Transcription factor MafG | | Authors: | Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. | | Deposit date: | 2022-03-04 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
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7X5G
 | | Nrf2 (A510Y)-MafG heterodimer bound with CsMBE2 | | Descriptor: | DNA (5'-D(*CP*AP*CP*AP*GP*TP*GP*AP*CP*TP*CP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP*CP*TP*GP*T)-3'), Nuclear factor erythroid 2-related factor 2, ... | | Authors: | Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. | | Deposit date: | 2022-03-04 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
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7X5E
 | | Nrf2-MafG heterodimer bound with CsMBE1 | | Descriptor: | DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*T)-3'), HEXAETHYLENE GLYCOL, ... | | Authors: | Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. | | Deposit date: | 2022-03-04 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
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8JJS
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | Deposit date: | 2023-05-31 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.534 Å) | | Cite: | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor.
J.Am.Chem.Soc., 145, 2023
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8IXS
 | | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | | Descriptor: | (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | | Authors: | Nomura, A, Yamaguchi, K, Adachi, T. | | Deposit date: | 2023-04-03 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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8IVR
 | | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | | Descriptor: | (2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | | Authors: | Nomura, A, Yamaguchi, K, Adachi, T. | | Deposit date: | 2023-03-28 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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8J6G
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8ZMG
 | | Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A | | Descriptor: | 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, Pimavanserin | | Authors: | Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K. | | Deposit date: | 2024-05-23 | | Release date: | 2024-08-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 67, 2024
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8ZMF
 | | Crystal structure of an inverse agonist antipsychotic drug derivative-bound 5-HT2C | | Descriptor: | 1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562 | | Authors: | Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K. | | Deposit date: | 2024-05-23 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 67, 2024
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7P3T
 | | Transaminase of gamma-proteobacterium | | Descriptor: | Branched-chain amino acid aminotransferase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ermler, U. | | Deposit date: | 2021-07-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rational engineering of Luminiphilus syltensis ( R )-selective amine transaminase for the acceptance of bulky substrates.
Chem.Commun.(Camb.), 57, 2021
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5EF9
 | | Structure of Influenza B Lee PB2 cap-binding domain | | Descriptor: | Polymerase basic protein 2 | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2015-10-23 | | Release date: | 2015-11-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular Basis of mRNA Cap Recognition by Influenza B Polymerase PB2 Subunit.
J.Biol.Chem., 291, 2016
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5EFA
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5EFC
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6DWA
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6DWC
 | | Structure of the apo 4497 antibody Fab fragment | | Descriptor: | 4497 Fab Heavy Chain, 4497 Fab Light Chain, ACETATE ION, ... | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2018-06-26 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural investigation of human S. aureus-targeting antibodies that bind wall teichoic acid.
MAbs, 10, 2018
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3W08
 | | Crystal structure of aldoxime dehydratase | | Descriptor: | Aldoxime dehydratase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hashimoto, H, Nomura, J, Hashimoto, Y, Oinuma, K.I, Wada, K, Hishiki, A, Hara, K, Kobayashi, M. | | Deposit date: | 2012-10-24 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of aldoxime dehydratase and its catalytic mechanism involved in carbon-nitrogen triple-bond synthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3BK6
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7YV1
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | | Deposit date: | 2022-08-18 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.454 Å) | | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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7YUZ
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | | Descriptor: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | Deposit date: | 2022-08-18 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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1VGP
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