2N1T
| Dynamic binding mode of a synaptotagmin-1-SNARE complex in solution | 分子名称: | Synaptosomal-associated protein 25, Synaptotagmin-1, Syntaxin-1A, ... | 著者 | Brewer, K, Bacaj, T, Cavalli, A, Camilloni, C, Swarbrick, J, Liu, J, Zhou, A, Zhou, P, Barlow, N, Xu, J, Seven, A, Prinslow, E, Voleti, R, Haussinger, D, Bonvin, A, Tomchick, D, Vendruscolo, M, Graham, B, Sudhof, T, Rizo, J. | 登録日 | 2015-04-21 | 公開日 | 2015-06-03 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution. Nat.Struct.Mol.Biol., 22, 2015
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7U8H
| Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | 分子名称: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | 著者 | Phan, J, Fesik, S.W. | 登録日 | 2022-03-08 | 公開日 | 2022-11-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | 主引用文献 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
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7U9V
| Integrin alaphIIBbeta3 complex with BMS4-1 | 分子名称: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-03-11 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25492167 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7THO
| Integrin alaphIIBbeta3 complex with Eptifibatide | 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, CALCIUM ION, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-01-11 | 公開日 | 2022-08-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7TMZ
| Integrin alaphIIBbeta3 complex with BMS compound 4 | 分子名称: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-01-20 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.20002 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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8HSB
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7U9F
| Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+ | 分子名称: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2022-03-10 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.70000529 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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6SUR
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6LZP
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6LXG
| NMR solution structure of regulatory ACT domain of the Mycobacterium tuberculosis Rel protein | 分子名称: | GTP pyrophosphokinase | 著者 | Shin, J, Singal, B, Manimekalai, M.S.S, Gruber, G. | 登録日 | 2020-02-11 | 公開日 | 2020-11-04 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Atomic structure of, and valine binding to the regulatory ACT domain of the Mycobacterium tuberculosis Rel protein. Febs J., 288, 2021
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5WSH
| Structure of HLA-A2 P130 | 分子名称: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ... | 著者 | Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S. | 登録日 | 2016-12-07 | 公開日 | 2017-12-20 | 最終更新日 | 2019-01-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress. J. Virol., 92, 2018
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1BJ7
| BOVINE LIPOCALIN ALLERGEN BOS D 2 | 分子名称: | D 2 | 著者 | Rouvinen, J. | 登録日 | 1998-07-02 | 公開日 | 1999-05-11 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Probing the molecular basis of allergy. three-dimensional structure of the bovine lipocalin allergen Bos d 2. J.Biol.Chem., 274, 1999
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7KX5
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A | 分子名称: | 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | 著者 | Sacco, M, Wang, J, Chen, Y. | 登録日 | 2020-12-03 | 公開日 | 2020-12-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity. J.Am.Chem.Soc., 143, 2021
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7WJS
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | 分子名称: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-07 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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8HMF
| head module state 2 of Tetrahymena IFT-A | 分子名称: | Intraflagellar transport protein 122 homolog, Intraflagellar transporter, WD40 repeat protein, ... | 著者 | Ma, Y, Wu, J, Lei, M. | 登録日 | 2022-12-03 | 公開日 | 2023-06-14 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Structural insight into the intraflagellar transport complex IFT-A and its assembly in the anterograde IFT train. Nat Commun, 14, 2023
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8HIH
| Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Lin, W, Shi, J, Xu, J.C. | 登録日 | 2022-11-20 | 公開日 | 2023-06-07 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | 主引用文献 | Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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6SHY
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7WKY
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | 分子名称: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-12 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNI
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | 分子名称: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-18 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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6MIU
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7WMU
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | 分子名称: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-17 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WN5
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | 分子名称: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-17 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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2BWQ
| Crystal Structure of the RIM2 C2A-domain at 1.4 angstrom Resolution | 分子名称: | REGULATING SYNAPTIC MEMBRANE EXOCYTOSIS PROTEIN 2, SULFATE ION | 著者 | Dai, H, Tomchick, D.R, Garcia, J, Sudhof, T.C, Machius, M, Rizo, J. | 登録日 | 2005-07-15 | 公開日 | 2005-10-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Crystal Structure of the Rim2 C(2)A-Domain at 1.4 A Resolution. Biochemistry, 44, 2005
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7WLN
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | 分子名称: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-13 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNA
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | 登録日 | 2022-01-17 | 公開日 | 2022-08-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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