8DYP
 
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5Z0S
 | | Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor | | Descriptor: | 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1 | | Authors: | Liu, Q, Xu, Y. | | Deposit date: | 2017-12-20 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors
Molecules, 23, 2018
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5YVE
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5WXG
 | | Structure of TAF PHD finger domain binds to H3(1-15)K4ac | | Descriptor: | Histone H3K4ac, MAGNESIUM ION, Transcription initiation factor TFIID subunit 3, ... | | Authors: | Zhao, S, Li, H. | | Deposit date: | 2017-01-07 | | Release date: | 2017-08-16 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WXH
 | | Crystal structure of TAF3 PHD finger bound to H3K4me3 | | Descriptor: | Histone H3K4me3, Transcription initiation factor TFIID subunit 3, ZINC ION | | Authors: | Zhao, S, Huang, J, Li, H. | | Deposit date: | 2017-01-07 | | Release date: | 2017-08-16 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.297 Å) | | Cite: | Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6M2B
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Zhu, L, Li, H. | | Deposit date: | 2020-02-27 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
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8JHL
 | | GDP-bound KRAS G12D in complex with YK-8S | | Descriptor: | 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one, GTPase KRas, N-terminally processed, ... | | Authors: | Zhang, Z.M, Wang, R.L. | | Deposit date: | 2023-05-23 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.10004044 Å) | | Cite: | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
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8JGD
 | | GDP-bound KRAS G12C in complex with YK-8S | | Descriptor: | (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Zhang, Z.M, Wang, R.L. | | Deposit date: | 2023-05-20 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.60037053 Å) | | Cite: | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
J.Am.Chem.Soc., 145, 2023
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5TH6
 | | Structure determination of a potent, selective antibody inhibitor of human MMP9 (apo MMP9) | | Descriptor: | CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ZINC ION | | Authors: | Appleby, T.C, Greenstein, A.E, Kwon, H.J. | | Deposit date: | 2016-09-29 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.
J. Biol. Chem., 292, 2017
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5TH9
 | | Structure determination of a potent, selective antibody inhibitor of human MMP9 (GS-5745 bound to MMP-9) | | Descriptor: | CALCIUM ION, COBALT HEXAMMINE(III), GS-5745 Fab heavy chain, ... | | Authors: | Appleby, T.C, Greenstein, A.E, Kwon, H.J. | | Deposit date: | 2016-09-29 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.999 Å) | | Cite: | Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.
J. Biol. Chem., 292, 2017
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5WCU
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7FAX
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7FAW
 | | Structure of LW domain from Yeast | | Descriptor: | Transcription elongation factor S-II | | Authors: | Liao, S, Gao, J, Tu, X. | | Deposit date: | 2021-07-07 | | Release date: | 2022-07-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.438 Å) | | Cite: | Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
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4XE0
 | | Idelalisib bound to the p110 subunit of PI3K delta | | Descriptor: | 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Somoza, J.R, Villasenor, A. | | Deposit date: | 2014-12-20 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.434 Å) | | Cite: | Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta.
J.Biol.Chem., 290, 2015
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4XPM
 | | Crystal structure of EGO-TC | | Descriptor: | Protein MEH1, Protein SLM4, Uncharacterized protein YCR075W-A | | Authors: | Powis, K, Zhang, T, De Virgilio, C, Ding, J. | | Deposit date: | 2015-01-17 | | Release date: | 2015-08-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the Ego1-Ego2-Ego3 complex and its role in promoting Rag GTPase-dependent TORC1 signaling.
Cell Res., 25, 2015
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4YH3
 | | Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a) | | Descriptor: | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | White, A, Lakshminarasimhan, D, Suto, R.K. | | Deposit date: | 2015-02-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
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4YH4
 | | Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d) | | Descriptor: | 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2015-02-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
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6JWD
 | | structure of RET G-quadruplex in complex with berberine | | Descriptor: | BERBERINE, DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3') | | Authors: | Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C. | | Deposit date: | 2019-04-19 | | Release date: | 2020-04-22 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
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6JWE
 | | structure of RET G-quadruplex in complex with colchicine | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | | Authors: | Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C. | | Deposit date: | 2019-04-20 | | Release date: | 2020-02-26 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
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5Z1S
 | | Crystal Structure Analysis of the BRD4(1) | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | Deposit date: | 2017-12-28 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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6JFI
 | | The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | | Descriptor: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ... | | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
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6JFH
 | | The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | | Descriptor: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ... | | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
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5Z1R
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | Deposit date: | 2017-12-28 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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6JEP
 | | Structure of a neutralizing antibody bound to the Zika envelope protein domain III | | Descriptor: | Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10 | | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | Deposit date: | 2019-02-07 | | Release date: | 2019-05-15 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.316 Å) | | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
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5Z1T
 | | Crystal Structure Analysis of the BRD4(1) | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | Deposit date: | 2017-12-28 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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