7DEY
 
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8BWU
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | | 著者 | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | 登録日 | 2022-12-07 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
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3MFQ
 | | A Glance into the Metal Binding Specificity of TroA: Where Elaborate Behaviors Occur in the Active Center | | 分子名称: | High-affinity zinc uptake system protein znuA, ZINC ION | | 著者 | Gao, G.F, Zheng, B, Zhang, Q, Gao, J, Han, H, Li, M. | | 登録日 | 2010-04-03 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.598 Å) | | 主引用文献 | Insight into the interaction of metal ions with TroA from Streptococcus suis
Plos One, 6, 2011
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8XAW
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8XAY
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8XAX
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8XAU
 | | Cryo-EM structure of HerA | | 分子名称: | ATP-binding protein | | 著者 | Wang, Y, Deng, Z. | | 登録日 | 2023-12-05 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 34, 2024
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8XAV
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8GY1
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8HCT
 | | Crystal structure of Cu2+ binding to Dendrorhynchus zhejiangensis ferritin | | 分子名称: | COPPER (II) ION, FE (III) ION, Ferritin, ... | | 著者 | Ming, T.H, Su, X.R, Huo, C.H. | | 登録日 | 2022-11-03 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Structural and Biochemical Characterization of Silver/Copper Binding by Dendrorhynchus zhejiangensis Ferritin.
Polymers (Basel), 15, 2023
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8HQ8
 | | Bry-LHCII homotrimer of Bryopsis corticulans | | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Li, Z.H, Shen, J.R, Wang, W.D. | | 登録日 | 2022-12-13 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
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8HPD
 | | Bry-LHCII heterotrimer of Bryopsis corticulans | | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ... | | 著者 | Li, Z.H, Shen, J.R, Wang, W.D. | | 登録日 | 2022-12-12 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | | 主引用文献 | Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
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8HLV
 | | Bry-LHCII homotrimer of Bryopsis corticulans | | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ... | | 著者 | Li, Z.H, Shen, J.R, Wang, W.D. | | 登録日 | 2022-12-01 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | | 主引用文献 | Structural and functional properties of different types of siphonous LHCII trimers from an intertidal green alga Bryopsis corticulans.
Structure, 31, 2023
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8H6T
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8H6P
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | | 分子名称: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Ren, X. | | 登録日 | 2022-10-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-03-29 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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4U02
 | | Crystal structure of apo-TTHA1159 | | 分子名称: | Amino acid ABC transporter, ATP-binding protein, SULFATE ION | | 著者 | Karthiga Devi, S, Chichili, V.P.R, Velmurugan, D, Sivaraman, J. | | 登録日 | 2014-07-11 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.399 Å) | | 主引用文献 | Structural basis for the hydrolysis of ATP by a nucleotide binding subunit of an amino acid ABC transporter from Thermus thermophilus
J.Struct.Biol., 190, 2015
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5WMG
 | | N-terminal bromodomain of BRD4 in complex with OTX-015 | | 分子名称: | 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4 | | 著者 | Zhang, Y. | | 登録日 | 2017-07-28 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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5WMD
 | | N-terminal bromodomain of BRD4 in complex with OTX-015 | | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | | 著者 | Zhang, Y. | | 登録日 | 2017-07-28 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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5WMA
 | | N-terminal bromodomain of BRD4 in complex with PLX5981 | | 分子名称: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | | 著者 | Zhang, Y. | | 登録日 | 2017-07-28 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.401 Å) | | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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7OQ6
 | | Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus | | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | | 著者 | Zhang, L, Zhang, S, Bechthold, A, Einsle, O. | | 登録日 | 2021-06-02 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
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5WFJ
 | | THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR | | 分子名称: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3 | | 著者 | Sack, J. | | 登録日 | 2017-07-12 | | 公開日 | 2017-10-04 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Discovery of highly potent, selective, covalent inhibitors of JAK3.
Bioorg. Med. Chem. Lett., 27, 2017
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6WOK
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 | | 分子名称: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S. | | 登録日 | 2020-04-24 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.309 Å) | | 主引用文献 | Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer.
Acs Med.Chem.Lett., 11, 2020
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5WA5
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50 | | 分子名称: | 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | 著者 | Xu, X, Blacklow, S.C. | | 登録日 | 2017-06-24 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.172 Å) | | 主引用文献 | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
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8ZF1
 | | Crystal structure of a Chemo Triplet Photoenzyme (CTPe) | | 分子名称: | N-(9-oxidanylidenethioxanthen-2-yl)ethanamide, Transcriptional regulator, PadR-like family | | 著者 | Chen, X, Qian, J.Y, Guo, J, Wu, Y.Z, Zhong, F.R. | | 登録日 | 2024-05-07 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Chemogenetic Evolution of Diversified Photoenzymes for Enantioselective [2 + 2] Cycloadditions in Whole Cells.
J.Am.Chem.Soc., 146, 2024
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5WFS
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