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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8WGS
 | | Crystal structure of V30M-TTR in complex with compound 4 | | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
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8WGU
 | | Crystal structure of V30M-TTR in complex with compound 20 | | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
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9INV
 | | Crystal structure of DAPK1 in complex with isoliquiritigenin | | Descriptor: | 2',4,4'-TRIHYDROXYCHALCONE, Death-associated protein kinase 1, SULFATE ION | | Authors: | Yokoyama, T. | | Deposit date: | 2024-07-08 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor.
Eur.J.Med.Chem., 279, 2024
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8WGT
 | | Crystal structure of V30M-TTR in complex with compound 7 | | Descriptor: | Transthyretin, [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone | | Authors: | Yokoyama, T. | | Deposit date: | 2023-09-22 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
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9INX
 | | Crystal structure of DAPK1 in complex with compound 10 | | Descriptor: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one, Death-associated protein kinase 1, SULFATE ION | | Authors: | Yokoyama, T. | | Deposit date: | 2024-07-08 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor.
Eur.J.Med.Chem., 279, 2024
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9INW
 | | Crystal structure of DAPK1 in complex with compound 9 | | Descriptor: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one, Death-associated protein kinase 1, SULFATE ION | | Authors: | Yokoyama, T. | | Deposit date: | 2024-07-08 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor.
Eur.J.Med.Chem., 279, 2024
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6C4D
 | | Structure based design of RIP1 kinase inhibitors | | Descriptor: | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Saikatendu, K.S, Yoshikawa, M. | | Deposit date: | 2018-01-11 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
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6C3E
 | | CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR | | Descriptor: | 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Saikatendu, K.S, Yoshikawa, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
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2END
 | | CRYSTAL STRUCTURE OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME FROM BACTERIOPHAGE T4: REFINEMENT AT 1.45 ANGSTROMS AND X-RAY ANALYSIS OF THE THREE ACTIVE SITE MUTANTS | | Descriptor: | ENDONUCLEASE V | | Authors: | Vassylyev, D.G, Ariyoshi, M, Matsumoto, O, Katayanagi, K, Ohtsuka, E, Morikawa, K. | | Deposit date: | 1994-08-08 | | Release date: | 1994-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a pyrimidine dimer-specific excision repair enzyme from bacteriophage T4: refinement at 1.45 A and X-ray analysis of the three active site mutants.
J.Mol.Biol., 249, 1995
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7DT3
 | | Crystal structure of human transthyretin in complex with 4-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid | | Descriptor: | 4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid, CALCIUM ION, Transthyretin | | Authors: | Kitakami, R, Yokoyama, T, Mizuguchi, M. | | Deposit date: | 2021-01-04 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.198 Å) | | Cite: | Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis.
Bioorg.Med.Chem., 44, 2021
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7DT5
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7DT6
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7DT8
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4ZY3
 | | Crystal Structure of Keap1 in Complex with a small chemical compound, K67 | | Descriptor: | FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide) | | Authors: | Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M. | | Deposit date: | 2015-05-21 | | Release date: | 2016-05-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming
Nat Commun, 7, 2016
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7EJR
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7EJQ
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6YTU
 | | Atomic-resolution structure of the coiled-coil dimerisation domain of human Arc | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Activity-regulated cytoskeleton-associated protein, CHLORIDE ION | | Authors: | Hallin, E.I, Touma, C, Bramham, C.R, Kursula, P. | | Deposit date: | 2020-04-24 | | Release date: | 2021-03-03 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Arc self-association and formation of virus-like capsids are mediated by an N-terminal helical coil motif.
Febs J., 288, 2021
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7W9Q
 | | Crystal structure of V30M-TTR in complex with naringenin derivative-14 | | Descriptor: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, CALCIUM ION, Transthyretin | | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | | Deposit date: | 2021-12-10 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis.
J.Med.Chem., 65, 2022
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7W9R
 | | Crystal structure of V30M-TTR in complex with naringenin derivative-18 | | Descriptor: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Transthyretin | | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | | Deposit date: | 2021-12-10 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis.
J.Med.Chem., 65, 2022
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3UIX
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2N42
 | | EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data | | Descriptor: | GTPase HRas | | Authors: | Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
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2N46
 | | EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data | | Descriptor: | GTPase HRas | | Authors: | Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-06-17 | | Release date: | 2015-07-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
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6IO0
 | | Human IDH1 R132C mutant complexed with compound A. | | Descriptor: | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ... | | Authors: | Suzuki, M, Baba, D, Hanzawa, H. | | Deposit date: | 2018-10-29 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
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6JMF
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