3TH8
 
 | | Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063 | | Descriptor: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase | | Authors: | Cao, R, Zhu, W, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-08-18 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.114 Å) | | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
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6IJC
 | | Structure of MMPA-CoA dehydrogenase from Roseovarius nubinhibens ISM | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-CoA dehydrogenase family protein | | Authors: | Shao, X, Yuan, Z.L, Cao, H.Y, Wang, P, Li, C.Y, Chen, X.L, Zhang, Y.Z. | | Deposit date: | 2018-10-09 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Mol.Microbiol., 111, 2019
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6M17
 | | The 2019-nCoV RBD/ACE2-B0AT1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Guo, Y.Y, Zhou, Q. | | Deposit date: | 2020-02-24 | | Release date: | 2020-03-11 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
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4MQ9
 | | Crystal structure of Thermus thermophilus RNA polymerase holoenzyme in complex with GE23077 | | Descriptor: | (2Z)-2-methylbut-2-enoic acid, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Ho, M.X, Arnold, E, Ebright, R.H, Zhang, Y, Tuske, S. | | Deposit date: | 2013-09-16 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
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4N1Z
 | | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222 | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E. | | Deposit date: | 2013-10-04 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin.
Sci Transl Med, 6, 2014
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4K7F
 | | Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201 | | Descriptor: | Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ... | | Authors: | Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X. | | Deposit date: | 2013-04-17 | | Release date: | 2013-06-05 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication.
J.Virol., 87, 2013
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3V5J
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5XXH
 | | Crystal Structure Analysis of the CBP | | Descriptor: | (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ... | | Authors: | Xiang, Q, Zhang, Y, Wang, C, Song, M. | | Deposit date: | 2017-07-04 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.
Eur J Med Chem, 147, 2018
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3GIX
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1PFB
 | | Structural Basis for specific binding of polycomb chromodomain to histone H3 methylated at K27 | | Descriptor: | ACETIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Min, J.R, Zhang, Y, Xu, R.-M. | | Deposit date: | 2003-05-24 | | Release date: | 2003-10-07 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis for specific binding of Polycomb chromodomain to histone H3 methylated at Lys 27.
Genes Dev., 17, 2003
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7V35
 | | Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GCGR-Gs complex | | Descriptor: | Glucagon receptor, 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: | Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W. | | Deposit date: | 2021-08-10 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
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7E33
 | | Serotonin 1E (5-HT1E) receptor-Gi protein complex | | Descriptor: | 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol, 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: | Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-02-07 | | Release date: | 2021-04-14 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into the lipid and ligand regulation of serotonin receptors.
Nature, 592, 2021
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7E2Y
 | | Serotonin-bound Serotonin 1A (5-HT1A) receptor-Gi protein complex | | Descriptor: | CHOLESTEROL, 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: | Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-02-07 | | Release date: | 2021-04-14 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into the lipid and ligand regulation of serotonin receptors.
Nature, 592, 2021
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7E2Z
 | | Aripiprazole-bound serotonin 1A (5-HT1A) receptor-Gi protein complex | | Descriptor: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-02-07 | | Release date: | 2021-04-14 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into the lipid and ligand regulation of serotonin receptors.
Nature, 592, 2021
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7E2X
 | | Apo serotonin 1A (5-HT1A) receptor-Gi protein complex | | Descriptor: | CHOLESTEROL, 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: | Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-02-07 | | Release date: | 2021-04-14 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into the lipid and ligand regulation of serotonin receptors.
Nature, 592, 2021
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7E32
 | | Serotonin 1D (5-HT1D) receptor-Gi protein complex | | Descriptor: | CHOLESTEROL, 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: | Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E. | | Deposit date: | 2021-02-07 | | Release date: | 2021-04-21 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into the lipid and ligand regulation of serotonin receptors.
Nature, 592, 2021
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3V5L
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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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7DSL
 | | Overall structure of the LAT1-4F2hc bound with JX-078 | | Descriptor: | (2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | | Deposit date: | 2020-12-31 | | Release date: | 2021-03-10 | | Last modified: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
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7DSQ
 | | Overall structure of the LAT1-4F2hc bound with 3,5-diiodo-L-tyrosine | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-DIIODOTYROSINE, ... | | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | | Deposit date: | 2020-12-31 | | Release date: | 2021-03-10 | | Last modified: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
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7DSK
 | | Overall structure of the LAT1-4F2hc bound with JX-075 | | Descriptor: | (2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | | Deposit date: | 2020-12-31 | | Release date: | 2021-03-10 | | Last modified: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
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7DSN
 | | Overall structure of the LAT1-4F2hc bound with JX-119 | | Descriptor: | (2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | | Deposit date: | 2020-12-31 | | Release date: | 2021-03-10 | | Last modified: | 2022-06-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021
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7WLN
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | | Descriptor: | 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, ... | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 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 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-17 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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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7WMQ
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | | Descriptor: | 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, FORMIC ACID, GLYCEROL, ... | | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2022-01-16 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | 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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