8U93
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8U92
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8U90
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8U8Z
| Cryo-EM structure of PsBphP in Pr state, extended DHp | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | Deposit date: | 2023-09-18 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor. Nat Commun, 15, 2024
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8U8X
| crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27 | Descriptor: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, J, Mou, T.C. | Deposit date: | 2023-09-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of Potent and Selective Covalent Inhibitors of HER2 WT and HER2 YVMA . J.Med.Chem., 67, 2024
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8U8W
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8U8K
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8U8J
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8U8B
| Cryo-EM structure of LRRK2 bound to type II inhibitor rebastinib | Descriptor: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | Authors: | Zhu, H, Sun, J. | Deposit date: | 2023-09-16 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM. Cell Discov, 10, 2024
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8U8A
| Cryo-EM structure of LRRK2 bound to type II inhibitor ponatinib | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | Authors: | Zhu, H, Sun, J. | Deposit date: | 2023-09-16 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM. Cell Discov, 10, 2024
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8U89
| The structure of the PP2A-B56Delta holoenzyme mutant - E197K | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | Authors: | Wu, C.G, Xing, Y. | Deposit date: | 2023-09-16 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U7L
| Cryo-EM structure of LRRK2 bound to type II inhibitor GZD824 | Descriptor: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2 | Authors: | Zhu, H, Sun, J. | Deposit date: | 2023-09-15 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Pharmacology of LRRK2 with type I and II kinase inhibitors revealed by cryo-EM. Cell Discov, 10, 2024
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8U7G
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8U7F
| Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum | Descriptor: | CIB_12 Beta-galactosidase, GLYCEROL | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Yakunin, A, Golyshin, P, Savchenko, A. | Deposit date: | 2023-09-15 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum To Be Published
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8U6X
| ATP-dependent DNA ligase Lig E from Neisseria gonorrhoeae | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*CP*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | Authors: | Williamson, A, Pan, J. | Deposit date: | 2023-09-14 | Release date: | 2024-01-31 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | A role for the ATP-dependent DNA ligase lig E of Neisseria gonorrhoeae in biofilm formation. Bmc Microbiol., 24, 2024
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8U6R
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N-(2,2-difluoroethyl)propanamide (JLJ756), a non-nucleoside inhibitor | Descriptor: | 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6P
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ754), a non-nucleoside inhibitor | Descriptor: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6N
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((6-cyanonaphthalen-1-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ752), a non-nucleoside inhibitor | Descriptor: | 3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide, Gag-Pol polyprotein, p51 RT | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6M
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((6-chloro-2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ751), a non-nucleoside inhibitor | Descriptor: | N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6J
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(5-chloro-2-((2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ746), a non-nucleoside inhibitor | Descriptor: | MAGNESIUM ION, N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, ... | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6I
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ745), a non-nucleoside inhibitor | Descriptor: | MAGNESIUM ION, N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, ... | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6H
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-(2-(3-acryloyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethoxy)-4-chlorophenoxy)-5-chlorobenzonitrile (JLJ744), a non-nucleoside inhibitor | Descriptor: | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Prucha, G, Carter, Z, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U6G
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-(2-(3-acryloyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethoxy)-4-chlorophenoxy)-5-chlorobenzonitrile (JLJ744), a non-nucleoside inhibitor | Descriptor: | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Prucha, G, Carter, Z, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-09-13 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase. Eur.J.Med.Chem., 262, 2023
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8U65
| Cryo-EM structure of PsBphP in Pfr state, splayed PSM only | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | Deposit date: | 2023-09-13 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor. Nat Commun, 15, 2024
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8U64
| Cryo-EM structure of PsBphP in Pfr state, medial PSM only | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, histidine kinase | Authors: | Basore, K, Burgie, E.S, Vierstra, D. | Deposit date: | 2023-09-13 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Signaling by a bacterial phytochrome histidine kinase involves a conformational cascade reorganizing the dimeric photoreceptor. Nat Commun, 15, 2024
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