5HW4
| Crystal structure of Escherichia coli 16S rRNA methyltransferase RsmI in complex with AdoMet | Descriptor: | Ribosomal RNA small subunit methyltransferase I, S-ADENOSYLMETHIONINE | Authors: | Zhao, M, Zhang, H, Dong, Y, Gong, Y. | Deposit date: | 2016-01-28 | Release date: | 2016-10-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Structural Insights into the Methylation of C1402 in 16S rRNA by Methyltransferase RsmI Plos One, 11, 2016
|
|
3LPJ
| Structure of BACE Bound to SCH743641 | Descriptor: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | Authors: | Strickland, C, Cumming, J. | Deposit date: | 2010-02-05 | Release date: | 2010-04-14 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. Bioorg.Med.Chem.Lett., 20, 2010
|
|
8CYF
| WhiB3 bound to SigmaAr4-RNAP Beta flap tip chimera and DNA | Descriptor: | CACODYLATE ION, DNA (5'-D(*CP*AP*CP*CP*AP*CP*AP*AP*CP*CP*GP*AP*TP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*AP*AP*TP*CP*GP*GP*TP*TP*GP*TP*GP*GP*T)-3'), ... | Authors: | Wan, T, Zhang, L.M. | Deposit date: | 2022-05-23 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis. J.Biol.Chem., 299, 2023
|
|
6E4R
| Crystal Structure of the Drosophila Melanogaster Polypeptide N-Acetylgalactosaminyl Transferase PGANT9B | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Samara, N.L, Tabak, L.A, Ten Hagen, K.G. | Deposit date: | 2018-07-18 | Release date: | 2018-09-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | A molecular switch orchestrates enzyme specificity and secretory granule morphology. Nat Commun, 9, 2018
|
|
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
|
|
6E4Q
| Crystal Structure of the Drosophila Melanogaster Polypeptide N-Acetylgalactosaminyl Transferase PGANT9A in Complex with UDP and Mn2+ | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Samara, N.L, Tabak, L.A, Ten Hagen, K.G. | Deposit date: | 2018-07-18 | Release date: | 2018-09-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | A molecular switch orchestrates enzyme specificity and secretory granule morphology. Nat Commun, 9, 2018
|
|
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
|
|
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: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
|
|
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
|
|
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
|
|
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
|
|
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
|
|
5MAV
| |
5DZN
| human T-cell immunoglobulin and mucin domain protein 4 | Descriptor: | T-cell immunoglobulin and mucin domain-containing protein 4 | Authors: | Yuan, S, Rao, Z, Wang, X. | Deposit date: | 2015-09-25 | Release date: | 2015-11-25 | Last modified: | 2016-02-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope. Protein Cell, 6, 2015
|
|
4RL1
| |
4H1E
| |
4H3J
| Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile | Descriptor: | 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Mandal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-10-17 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
|
|
4H3F
| Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | Descriptor: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Mandal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-11-07 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
|
|
4HA5
| Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile | Descriptor: | 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Mandal, M. | Deposit date: | 2012-09-25 | Release date: | 2012-10-17 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
|
|
4TVZ
| Crystal Structure of SCARB2 in Neural Condition (pH7.5) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Scavenger receptor class B member 2, ... | Authors: | Dang, M.H, Wang, X.X, Rao, Z.H. | Deposit date: | 2014-06-29 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.006 Å) | Cite: | Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71 Protein Cell, 5, 2014
|
|
4TW0
| Crystal Structure of SCARB2 in Acidic Condition (pH4.8) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-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, ... | Authors: | Dang, M.H, Wang, X.X, Rao, Z.H. | Deposit date: | 2014-06-29 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.648 Å) | Cite: | Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71 Protein Cell, 5, 2014
|
|
4H3G
| Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile | Descriptor: | 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Strickland, C, Mandal, M. | Deposit date: | 2012-09-13 | Release date: | 2012-11-07 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation. J.Med.Chem., 55, 2012
|
|
5DZO
| |
7QG1
| IRAK4 in complex with inhibitor | Descriptor: | Interleukin-1 receptor-associated kinase 4, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate | Authors: | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | Deposit date: | 2021-12-07 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
|
|
7QUB
| EV-A71-3Cpro in complex with inhibitor MG78 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-01-17 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
|
|