6BH4
 
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 5-(1-(tert-butyl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (Compound N75/CPI-48) | | 分子名称: | 1,2-ETHANEDIOL, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, GLYCEROL, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2017-10-29 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.047 Å) | | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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7D3I
 | | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | | 分子名称: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | | 著者 | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | | 登録日 | 2020-09-19 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.004 Å) | | 主引用文献 | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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6BGY
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46) | | 分子名称: | 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2017-10-29 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BGX
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)((4,4-difluorocyclohexyl)methoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N42) | | 分子名称: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2017-10-29 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.882 Å) | | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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7E3O
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5B6G
 | | Protein-protein interaction | | 分子名称: | Adenomatous polyposis coli protein, GLYCEROL, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, ... | | 著者 | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | | 登録日 | 2016-05-27 | | 公開日 | 2017-05-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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8JZS
 | | Outward-facing SLC15A4 dimer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, lysosomal transporter | | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | | 登録日 | 2023-07-06 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | | 主引用文献 | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
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8JZU
 | | SLC15A4_TASL complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter,Green fluorescent protein, TSLAA-EGPF tag fusion protein | | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | | 登録日 | 2023-07-06 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | | 主引用文献 | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
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8JZR
 | | Outward_facing SLC15A4 monomer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag | | 著者 | Zhang, S.S, Chen, X.D, Xie, M. | | 登録日 | 2023-07-06 | | 公開日 | 2023-09-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
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5CHL
 | | Structural basis of H2A.Z recognition by YL1 histone chaperone component of SRCAP/SWR1 chromatin remodeling complex | | 分子名称: | Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog | | 著者 | Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z. | | 登録日 | 2015-07-10 | | 公開日 | 2016-03-09 | | 最終更新日 | 2017-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
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8KHD
 | | The interface structure of Omicron RBD binding to 5817 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ... | | 著者 | Cao, L, Wang, X. | | 登録日 | 2023-08-21 | | 公開日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
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8KHC
 | | SARS-CoV-2 Omicron spike in complex with 5817 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817 Fab, ... | | 著者 | Cao, L, Wang, X. | | 登録日 | 2023-08-21 | | 公開日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
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5YPI
 | | Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI1 complex | | 分子名称: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | 著者 | Feng, H, Wang, D, Liu, W. | | 登録日 | 2017-11-01 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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5YPK
 | | Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI2 complex | | 分子名称: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ... | | 著者 | Feng, H, Wang, D, Liu, W. | | 登録日 | 2017-11-02 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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5YPN
 | | Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI2 complex | | 分子名称: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ... | | 著者 | Feng, H, Liu, W, Wang, D. | | 登録日 | 2017-11-02 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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5YPL
 | | Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EP complex | | 分子名称: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ... | | 著者 | Feng, H, Wang, D, Liu, W. | | 登録日 | 2017-11-02 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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5YPM
 | | Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI1 complex | | 分子名称: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ... | | 著者 | Feng, H, Wang, D, Liu, W. | | 登録日 | 2017-11-02 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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8HJT
 | | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP | | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ... | | 著者 | Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-11-23 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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4I8B
 | | Crystal Structure of Thioredoxin from Schistosoma Japonicum | | 分子名称: | Thioredoxin | | 著者 | Wu, Q, Peng, Y, Zhao, J, Li, X, Fan, X, Zhou, X, Chen, J, Luo, Z, Shi, D. | | 登録日 | 2012-12-03 | | 公開日 | 2013-12-04 | | 最終更新日 | 2015-06-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Expression, characterization and crystal structure of thioredoxin from Schistosoma japonicum.
Parasitology, 142, 2015
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6WVR
 | | Tubulin dimers from a 13-protofilament, Taxol stabilized microtubule | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V. | | 登録日 | 2020-05-06 | | 公開日 | 2020-05-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WVL
 | | Low curvature lateral interaction within a 13-protofilament, Taxol stabilized microtubule | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V. | | 登録日 | 2020-05-06 | | 公開日 | 2020-05-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1QAJ
 | | CRYSTAL STRUCTURES OF THE N-TERMINAL FRAGMENT FROM MOLONEY MURINE LEUKEMIA VIRUS REVERSE TRANSCRIPTASE COMPLEXED WITH NUCLEIC ACID: FUNCTIONAL IMPLICATIONS FOR TEMPLATE-PRIMER BINDING TO THE FINGERS DOMAIN | | 分子名称: | DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'), REVERSE TRANSCRIPTASE | | 著者 | Najmudin, S, Cote, M, Sun, D, Yohannan, S, Montano, S.P, Gu, J, Georgiadis, M.M. | | 登録日 | 1999-03-18 | | 公開日 | 2000-04-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of an N-terminal fragment from Moloney murine leukemia virus reverse transcriptase complexed with nucleic acid: functional implications for template-primer binding to the fingers domain.
J.Mol.Biol., 296, 2000
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2E2R
 | | Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol A | | 分子名称: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma, GLYCEROL | | 著者 | Matsushima, A, Kakuta, Y, Teramoto, T, Koshiba, T, Kimura, M, Shimohigashi, Y. | | 登録日 | 2006-11-16 | | 公開日 | 2007-09-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Evidence for Endocrine Disruptor Bisphenol A Binding to Human Nuclear Receptor ERR{gamma}
J.Biochem.(Tokyo), 142, 2007
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8VTT
 | | Meis1 homeobox domain bound to neomycin fragment | | 分子名称: | Homeobox protein Meis1, RIBOSTAMYCIN, SULFATE ION | | 著者 | Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N, Sadek, H.A. | | 登録日 | 2024-01-27 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Identification of FDA-approved drugs that induce heart regeneration in mammals.
Nat Cardiovasc Res, 3, 2024
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8VTS
 | | Meis1 homeobox domain bound to paromomycin fragment | | 分子名称: | 1,2-ETHANEDIOL, Homeobox protein Meis1, ISOPROPYL ALCOHOL, ... | | 著者 | Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N. | | 登録日 | 2024-01-27 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Identification of FDA-approved drugs that induce heart regeneration in mammals.
Nat Cardiovasc Res, 3, 2024
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