5CFW
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7E8C
| SARS-CoV-2 S-6P in complex with 9 Fabs | Descriptor: | 368-2 H, 368-2 L, 604 H, ... | Authors: | Du, S, Xiao, J, Zhang, Z. | Deposit date: | 2021-03-01 | Release date: | 2021-06-09 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines. Cell Res., 31, 2021
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7E8F
| SARS-CoV-2 NTD in complex with N9 Fab | Descriptor: | 368-2 H, 368-2 L, 604 H, ... | Authors: | Du, S, Xiao, J, Zhang, Z. | Deposit date: | 2021-03-01 | Release date: | 2021-06-09 | Last modified: | 2021-07-14 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines. Cell Res., 31, 2021
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7STI
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7STJ
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7STK
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7STH
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8CZK
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8D19
| Human LanCL1 bound to GSH | Descriptor: | GLUTATHIONE, Glutathione S-transferase LANCL1, ZINC ION | Authors: | Ongpipattanakul, C, Nair, S.K. | Deposit date: | 2022-05-26 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The mechanism of thia-Michael addition catalyzed by LanC enzymes. Proc.Natl.Acad.Sci.USA, 120, 2023
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8CZL
| Human LanCL1 bound to methyl glutathione (MeGSH) | Descriptor: | Glutathione S-transferase LANCL1, L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE, ZINC ION | Authors: | Ongpipattanakul, C, Nair, S.K. | Deposit date: | 2022-05-24 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The mechanism of thia-Michael addition catalyzed by LanC enzymes. Proc.Natl.Acad.Sci.USA, 120, 2023
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8D0V
| Human LanCL1 C264A mutant bound to GSH | Descriptor: | GLUTATHIONE, Glutathione S-transferase LANCL1, ZINC ION | Authors: | Ongpipattanakul, C, Nair, S.K. | Deposit date: | 2022-05-26 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The mechanism of thia-Michael addition catalyzed by LanC enzymes. Proc.Natl.Acad.Sci.USA, 120, 2023
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8DL5
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8DSO
| Structure of cIAP1, BTK and BCCov | Descriptor: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ... | Authors: | Schiemer, J.S, Calabrese, M.F. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.334 Å) | Cite: | A covalent BTK ternary complex compatible with targeted protein degradation. Nat Commun, 14, 2023
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8DSF
| Structure of cIAP1 with BCCov | Descriptor: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Schiemer, J.S, Calabrese, M.F. | Deposit date: | 2022-07-22 | Release date: | 2023-03-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A covalent BTK ternary complex compatible with targeted protein degradation. Nat Commun, 14, 2023
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7KPY
| Crystal structure of CBP bromodomain liganded with UMB298 (compound 23) | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine, Histone acetyltransferase | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2020-11-12 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of Dimethylisoxazole-Attached Imidazo[1,2- a ]pyridines as Potent and Selective CBP/P300 Inhibitors. J.Med.Chem., 64, 2021
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8FBF
| Crystal structure of OrfX2 from Clostridium botulinum E1 | Descriptor: | Neurotoxin complex component Orf-X2, SULFATE ION | Authors: | Lam, K.H, Gao, L. | Deposit date: | 2022-11-29 | Release date: | 2022-12-21 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1. Febs Lett., 597, 2023
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7E7Y
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7E7X
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7E88
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7E86
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6BFG
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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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