5YQX
| Crystal Structure Analysis of the BRD4 | Descriptor: | (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Xue, X, Zhang, Y, Wang, C, Song, M. | Deposit date: | 2017-11-08 | Release date: | 2018-11-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer. Eur.J.Med.Chem., 152, 2018
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8IW9
| Cryo-EM structure of the CAD-bound mTAAR9-Gs complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IW4
| Cryo-EM structure of the SPE-bound mTAAR9-Gs complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IW7
| Cryo-EM structure of the PEA-bound mTAAR9-Gs complex | Descriptor: | 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IWM
| Cryo-EM structure of the PEA-bound mTAAR9 complex | Descriptor: | 2-PHENYLETHYLAMINE, Trace amine-associated receptor 9 | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-30 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8ITF
| Cryo-EM structure of the DMCHA-bound mTAAR9-Gs complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-22 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IWE
| Cryo-EM structure of the SPE-mTAAR9 complex | Descriptor: | SPERMIDINE, Trace amine-associated receptor 9 | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IW1
| Cryo-EM structure of the PEA-bound mTAAR9-Golf complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(olf) subunit alpha, ... | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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4W5I
| Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | Descriptor: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-18 | Release date: | 2015-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases. Bioorg.Med.Chem., 23, 2015
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6ULJ
| Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-08 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00045 To Be Published
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4UX4
| Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium | Descriptor: | (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-19 | Release date: | 2015-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases. Bioorg.Med.Chem., 23, 2015
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6UK6
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6UKB
| Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-04 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00020 To Be Published
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6ULA
| Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-07 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00030 To Be Published
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6UJM
| Crystal structure of human GAC in complex with inhibitor UPGL00013 | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-03 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00013 To Be Published
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6UL9
| Crystal structure of human GAC in complex with inhibitor UPGL00023 | Descriptor: | 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Huang, Q.Q, Cerione, R.A. | Deposit date: | 2019-10-07 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00012 To Be Published
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6PUN
| Crystal structure of a ternary complex of FBF-2 with LST-1 (site B) and compact FBE RNA | Descriptor: | 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, GLYCEROL, ... | Authors: | Qiu, C, Campbell, Z.T, Hall, T.M.T. | Deposit date: | 2019-07-18 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | A crystal structure of a collaborative RNA regulatory complex reveals mechanisms to refine target specificity. Elife, 8, 2019
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6A7B
| AKR1C3 complexed with new inhibitor with novel scaffold | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ... | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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6XEO
| Structure of Mfd bound to dsDNA | Descriptor: | DNA (5'-D(P*AP*GP*GP*AP*TP*AP*CP*TP*TP*AP*CP*AP*GP*CP*CP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*GP*GP*CP*TP*GP*TP*AP*AP*GP*TP*AP*TP*CP*CP*T)-3'), Transcription-repair-coupling factor | Authors: | Brugger, C, Deaconescu, A. | Deposit date: | 2020-06-12 | Release date: | 2020-08-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Molecular determinants for dsDNA translocation by the transcription-repair coupling and evolvability factor Mfd. Nat Commun, 11, 2020
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4KXF
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7XHE
| Crystal structure of CBP bromodomain liganded with CCS151 | Descriptor: | (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-04-08 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
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7XH6
| Crystal structure of CBP bromodomain liganded with CCS1477 | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE, ... | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-04-07 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
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7XI0
| Crystal structure of CBP bromodomain liganded with CCS150 | Descriptor: | (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, GLYCEROL | Authors: | Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-04-11 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain Biochem.Biophys.Res.Commun., 623, 2022
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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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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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