5UP0
 
 | | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | | Descriptor: | 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | | Authors: | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | | Deposit date: | 2017-02-01 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
|
|
5UWF
 | | Crystal structure of human PDE10A in complex with inhibitor 16d | | Descriptor: | 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. | | Deposit date: | 2017-02-21 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
|
|
5TZA
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A WITH 3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl-1-[(naphthalene-2-yl)carbonyl]piperidine | | Descriptor: | MAGNESIUM ION, ZINC ION, [(3S)-3-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](naphthalen-2-yl)methanone, ... | | Authors: | Xu, R, Aertgeerts, K. | | Deposit date: | 2016-11-21 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
|
|
7CMU
 | | Dopamine Receptor D3R-Gi-Pramipexole complex | | Descriptor: | (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 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, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H. | | Deposit date: | 2020-07-29 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
|
|
7CMV
 | | Dopamine Receptor D3R-Gi-PD128907 complex | | Descriptor: | (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-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, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H. | | Deposit date: | 2020-07-29 | | Release date: | 2021-03-10 | | Last modified: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structures of the human dopamine D3 receptor-G i complexes.
Mol.Cell, 81, 2021
|
|
7E1V
 | | Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2021-02-03 | | Release date: | 2021-10-13 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
|
|
7E1W
 | | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2021-02-03 | | Release date: | 2021-10-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
|
|
7E1X
 | | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2021-02-03 | | Release date: | 2021-10-27 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
|
|
7DUU
 | | Crystal structure of HLA molecule with an KIR receptor | | Descriptor: | Beta-2-microglobulin, Killer cell immunoglobulin-like receptor 2DS2, LEU-ASN-PRO-SER-VAL-ALA-ALA-THR-LEU, ... | | Authors: | Yang, Y, Yin, L. | | Deposit date: | 2021-01-11 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Activating receptor KIR2DS2 bound to HLA-C1 reveals the novel recognition features of activating receptor.
Immunology, 165, 2022
|
|
7E6M
 | | Crystal structure of Human coronavirus NL63 3C-like protease | | Descriptor: | 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2021-02-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83445024 Å) | | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
|
|
7E6L
 | | Crystal structure of HCoV-NL63 3C-like protease,pH5.0 | | Descriptor: | 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-02-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.78037143 Å) | | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
|
|
7E6R
 | | Crystal structure of HCoV-NL63 3C-like protease,pH5.6 | | Descriptor: | 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2021-02-23 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
|
|
7E6N
 | | Crystal structure of HCoV-NL63 3C-like protease,pH5.2 | | Descriptor: | 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-02-22 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8413 Å) | | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
|
|
8G9S
 | | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | | Descriptor: | AcrIC8, Cas11, Cas5, ... | | Authors: | Hu, C, Nam, K.H, Ke, A. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
|
|
8G9T
 | | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | | Descriptor: | AcrIC9, Cas11, Cas5, ... | | Authors: | Hu, C, Nam, K.H, Ke, A. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
|
|
8G9U
 | | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | | Descriptor: | CRISPR-associated protein, Csd1 family, Csd2 family, ... | | Authors: | Hu, C, Nam, K.H, Ke, A. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
|
|
8GAF
 | | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | | Descriptor: | Cas11, Cas5, Cas7, ... | | Authors: | Hu, C, Nam, K.H, Ke, A. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
|
|
8GAM
 | | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | | Descriptor: | Cas11, Cas5, Cas7, ... | | Authors: | Hu, C, Nam, K.H, Ke, A. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
|
|
8GAN
 | | Exploiting Activation and Inactivation Mechanisms in Type I-C CRISPR-Cas3 for Genome Editing Applications | | Descriptor: | Cas11, Cas5, Cas7, ... | | Authors: | Hu, C, Nam, K.H, Ke, A. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Exploiting activation and inactivation mechanisms in type I-C CRISPR-Cas3 for genome-editing applications.
Mol.Cell, 84, 2024
|
|
8HUV
 | | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with S217622 | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-12-24 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUT
 | | Crystal structure of MERS main protease in complex with S217622 | | Descriptor: | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ORF1a | | Authors: | Lin, C, Zhang, J, Li, J. | | Deposit date: | 2022-12-24 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUU
 | | Crystal structure of HCoV-NL63 main protease with S217622 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Zeng, X.Y, Zhang, J, Li, J. | | Deposit date: | 2022-12-24 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUS
 | | Crystal structure of SARS main protease in complex with S217622 | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Lin, C, Zhang, J, Li, J. | | Deposit date: | 2022-12-24 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUX
 | | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622 | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Li, W.W, Zhang, J, Li, J. | | Deposit date: | 2022-12-24 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
8HUW
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622 | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Wang, J, Zhang, J, Li, J. | | Deposit date: | 2022-12-24 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
|
|
