4Q0X
 
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7XNK
 | | human KCNQ1-CaM in complex with ML277 | | Descriptor: | (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ... | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XNI
 | | human KCNQ1-CaM in apo state | | Descriptor: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 1 | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2022-04-28 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XNL
 | | human KCNQ1-CaM-ML277-PIP2 complex in state A | | Descriptor: | (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ... | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XNN
 | | human KCNQ1-CaM-ML277-PIP2 complex in state B | | Descriptor: | (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ... | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2022-04-29 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6BWZ
 | | SYSGYS from low-complexity domain of FUS, residues 37-42 | | Descriptor: | SYSGYS peptide from low-complexity domain of FUS | | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Tamir, G, Eisenberg, D.S. | | Deposit date: | 2017-12-15 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
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6BZP
 | | STGGYG from low-complexity domain of FUS, residues 77-82 | | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, RNA-binding protein FUS | | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2017-12-25 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.1 Å) | | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
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6BXV
 | | SYSSYGQS from low-complexity domain of FUS, residues 54-61 | | Descriptor: | FUS | | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2017-12-19 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
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6BXX
 | | GYNGFG from low-complexity domain of hnRNPA1, residues 243-248 | | Descriptor: | hnRNPA1 | | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2017-12-19 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
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7LKI
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5YQN
 | | Crystal structure of Sirt2 in complex with selective inhibitor L55 | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
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5YQO
 | | Crystal structure of Sirt2 in complex with selective inhibitor L5C | | Descriptor: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.483 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
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5YQL
 | | Crystal structure of Sirt2 in complex with selective inhibitor A2I | | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
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5YQM
 | | Crystal structure of Sirt2 in complex with selective inhibitor A29 | | Descriptor: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, H, Yu, Y, Li, G, chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.735 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
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1ZDL
 | | Crystal Structure of Mouse Thioredoxin Reductase Type 2 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 2, ... | | Authors: | Biterova, E.I, Turanov, A.A, Gladyshev, V.N, Barycki, J.J. | | Deposit date: | 2005-04-14 | | Release date: | 2005-11-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of oxidized and reduced mitochondrial thioredoxin reductase provide molecular details of the reaction mechanism.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1ZKQ
 | | Crystal structure of mouse thioredoxin reductase type 2 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 2, mitochondrial | | Authors: | Biterova, E.I, Turanov, A.A, Gladyshev, V.N, Barycki, J.J. | | Deposit date: | 2005-05-03 | | Release date: | 2005-11-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of oxidized and reduced mitochondrial thioredoxin reductase provide molecular details of the reaction mechanism.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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7F3N
 | | Structure of PopP2 in apo form | | Descriptor: | Type III effector protein popp2 | | Authors: | Xia, Y, Zhang, Z.M. | | Deposit date: | 2021-06-16 | | Release date: | 2021-11-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.351856 Å) | | Cite: | Secondary-structure switch regulates the substrate binding of a YopJ family acetyltransferase.
Nat Commun, 12, 2021
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7VBT
 | | Crystal structure of RIOK2 in complex with CQ211 | | Descriptor: | 8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one, Serine/threonine-protein kinase RIO2 | | Authors: | Zhu, C, Zhang, Z.M. | | Deposit date: | 2021-09-01 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.54001474 Å) | | Cite: | Discovery of 8-(6-Methoxypyridin-3-yl)-1-(4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl)-1,5-dihydro- 4H -[1,2,3]triazolo[4,5- c ]quinolin-4-one (CQ211) as a Highly Potent and Selective RIOK2 Inhibitor.
J.Med.Chem., 65, 2022
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