8WIU
| Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-09-25 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis. Eur.J.Med.Chem., 265, 2023
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8IHP
| Structure of Semliki Forest virus VLP in complex with the receptor VLDLR-LA3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ... | Authors: | Cao, D, Ma, B, Cao, Z, Zhang, X, Xiang, Y. | Deposit date: | 2023-02-23 | Release date: | 2023-04-12 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of Semliki Forest virus in complex with its receptor VLDLR. Cell, 186, 2023
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8SNX
| Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the leader promoter | Descriptor: | Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*GP*CP*GP*U)-3'), RNA-directed RNA polymerase L | Authors: | Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B. | Deposit date: | 2023-04-28 | Release date: | 2023-12-20 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of the promoter-bound respiratory syncytial virus polymerase. Nature, 625, 2024
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8SNY
| Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the trailer complementary promoter | Descriptor: | Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*UP*CP*GP*U)-3'), RNA-directed RNA polymerase L | Authors: | Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B. | Deposit date: | 2023-04-28 | Release date: | 2023-12-20 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Structures of the promoter-bound respiratory syncytial virus polymerase. Nature, 625, 2024
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6UEN
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4XSQ
| Structure of a variable lymphocyte receptor-like protein Bf66946 from Branchiostoma floridae | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, variable lymphocyte receptor-like protein Bf66946 | Authors: | Cao, D.D, Cheng, W, Jiang, Y.L, Wang, W.J, Li, Q, Chen, Y, Zhou, C.Z. | Deposit date: | 2015-01-22 | Release date: | 2016-03-23 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure of a variable lymphocyte receptor-like protein from the amphioxus Branchiostoma floridae. Sci Rep, 6, 2016
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8IBQ
| Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-02-10 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
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8IDH
| Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-02-13 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
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7FAJ
| CARM1 bound with compound 43 | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | Authors: | Cao, D.Y, Li, J, Xiong, B. | Deposit date: | 2021-07-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2450726 Å) | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
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7FAI
| CARM1 bound with compound 9 | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | Authors: | Cao, D.Y, Li, J, Xiong, B. | Deposit date: | 2021-07-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09749269 Å) | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
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5BTR
| Crystal structure of SIRT1 in complex with resveratrol and an AMC-containing peptide | Descriptor: | AMC-containing peptide, NAD-dependent protein deacetylase sirtuin-1, RESVERATROL, ... | Authors: | Cao, D, Wang, M, Qiu, X, Liu, D, Jiang, H, Yang, N, Xu, R.M. | Deposit date: | 2015-06-03 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for allosteric, substrate-dependent stimulation of SIRT1 activity by resveratrol Genes Dev., 29, 2015
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7VLN
| NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | Descriptor: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | Authors: | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | Deposit date: | 2021-10-05 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors. J.Med.Chem., 65, 2022
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5WXZ
| Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with D-aspartate | Descriptor: | D-ASPARTIC ACID, McyF | Authors: | Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2017-01-09 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the catalysis and substrate specificity of cyanobacterial aspartate racemase McyF. Biochem.Biophys.Res.Commun., 514, 2019
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5WXY
| Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with L-aspartate | Descriptor: | ASPARTIC ACID, McyF | Authors: | Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2017-01-09 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structural insights into the catalysis and substrate specificity of cyanobacterial aspartate racemase McyF. Biochem.Biophys.Res.Commun., 514, 2019
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5WXX
| Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with citrate | Descriptor: | CITRIC ACID, McyF | Authors: | Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2017-01-09 | Release date: | 2018-01-17 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into the catalysis and substrate specificity of cyanobacterial aspartate racemase McyF. Biochem.Biophys.Res.Commun., 514, 2019
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5XNK
| Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with DL-methyl-aspartate | Descriptor: | (2S,3S)-3-methyl-aspartic acid, 3-METHYL-BETA-D-ASPARTIC ACID, McyF | Authors: | Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2017-05-23 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure-function Analyses of a Cyanobacterial Aspartate Racemase Reveal Its Catalytic Mechanism and Substrate Specificity To Be Published
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5XNI
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7CCR
| Structure of the 2:2 cGAS-nucleosome complex | Descriptor: | Cyclic GMP-AMP synthase, DNA (147-MER), Histone H2A type 1-B/E, ... | Authors: | Cao, D, Han, X, Fan, X, Xu, R.M, Zhang, X. | Deposit date: | 2020-06-17 | Release date: | 2020-10-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Structural basis for nucleosome-mediated inhibition of cGAS activity. Cell Res., 30, 2020
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7CCQ
| Structure of the 1:1 cGAS-nucleosome complex | Descriptor: | Cyclic GMP-AMP synthase, DNA (147-MER), Histone H2A type 1-B/E, ... | Authors: | Cao, D, Han, X, Fan, X, Xu, R.M, Zhang, X. | Deposit date: | 2020-06-17 | Release date: | 2020-10-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for nucleosome-mediated inhibition of cGAS activity. Cell Res., 30, 2020
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5XNJ
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7XY4
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7XY3
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6JI3
| BRD4-BD1 bound with ligand 103 | Descriptor: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | Deposit date: | 2019-02-20 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | brd4-bd1 bound with ligand 103 To Be Published
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6JI4
| brd4-bd1 bound with ligand 138 | Descriptor: | (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | Deposit date: | 2019-02-20 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | brd4-bd1 bound with ligand 138 To Be Published
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6JI5
| brd4-bd1 bound with ligand 167 | Descriptor: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | Deposit date: | 2019-02-20 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | brd4-bd1 bound with ligand 167 To Be Published
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