4BTG
| Coordinates of the bacteriophage phi6 capsid subunits (P1A and P1B) fitted into the cryoEM reconstruction of the procapsid at 4.4 A resolution | Descriptor: | MAJOR INNER PROTEIN P1 | Authors: | Nemecek, D, Boura, E, Wu, W, Cheng, N, Plevka, P, Qiao, J, Mindich, L, Heymann, J.B, Hurley, J.H, Steven, A.C. | Deposit date: | 2013-06-17 | Release date: | 2013-08-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Subunit Folds and Maturation Pathway of a Dsrna Virus Capsid. Structure, 21, 2013
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4BTQ
| Coordinates of the bacteriophage phi6 capsid subunits fitted into the cryoEM map EMD-1206 | Descriptor: | MAJOR INNER PROTEIN P1 | Authors: | Nemecek, D, Boura, E, Wu, W, Cheng, N, Plevka, P, Qiao, J, Mindich, L, Heymann, J.B, Hurley, J.H, Steven, A.C. | Deposit date: | 2013-06-18 | Release date: | 2013-12-11 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Subunit Folds and Maturation Pathway of a Dsrna Virus Capsid. Structure, 21, 2013
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8JZN
| Structure of a fungal 1,3-beta-glucan synthase | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, C, You, Z, Chen, D, Hang, J, Wang, Z, Meng, J, Wang, L, Zhao, P, Qiao, J, Yun, C, Bai, L. | Deposit date: | 2023-07-05 | Release date: | 2023-10-04 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structure of a fungal 1,3-beta-glucan synthase. Sci Adv, 9, 2023
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8HGH
| Structure of 2:2 PAPP-A.STC2 complex | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-11-14 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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8HGG
| Structure of 2:2 PAPP-A.ProMBP complex | Descriptor: | Bone marrow proteoglycan, Pappalysin-1, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-11-14 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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8HAY
| d4-bound btDPP4 | Descriptor: | (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4 | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-10-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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7Y5N
| Structure of 1:1 PAPP-A.ProMBP complex(half map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone marrow proteoglycan, ... | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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7Y5Q
| Structure of 1:1 PAPP-A.STC2 complex(half map) | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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7Y4F
| bacterial DPP4 | Descriptor: | Dipeptidyl peptidase IV | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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7Y4G
| sit-bound btDPP4 | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4 | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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7C7P
| Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | Deposit date: | 2020-05-26 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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7COM
| Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | Descriptor: | 3C-like proteinase, boceprevir (bound form) | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | Deposit date: | 2020-08-04 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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7D3I
| Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | Authors: | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | Deposit date: | 2020-09-19 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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4K7H
| Major capsid protein P1 of the Pseudomonas phage phi6 | Descriptor: | Major inner protein P1 | Authors: | Boura, E, Nemecek, D, Plevka, P, Steven, C.A, Hurley, J.H. | Deposit date: | 2013-04-17 | Release date: | 2013-08-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5964 Å) | Cite: | Subunit Folds and Maturation Pathway of a dsRNA Virus Capsid. Structure, 21, 2013
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2DD1
| Three consecutive sheared GA pairs in 5'GGUGGAGGCU/3'PCCAAAGCCG | Descriptor: | 5'-R(*GP*CP*CP*GP*AP*AP*AP*CP*CP*(P5P))-3', 5'-R(*GP*GP*UP*GP*GP*AP*GP*GP*CP*U)-3' | Authors: | Chen, G, Kennedy, S.D, Krugh, T.R, Turner, D.H. | Deposit date: | 2006-01-19 | Release date: | 2006-06-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | An Alternating Sheared AA Pair and Elements of Stability for a Single Sheared Purine-Purine Pair Flanked by Sheared GA Pairs in RNA Biochemistry, 45, 2006
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2DD3
| An alternating sheared AA pair in 5'GGUGAAGGCU/3'PCCGAAGCCG: II. The minor conformation with A6/A5/A16 stack | Descriptor: | 5'-R(*GP*CP*CP*GP*AP*AP*GP*CP*CP*(P5P))-3', 5'-R(*GP*GP*UP*GP*AP*AP*GP*GP*CP*U)-3' | Authors: | Chen, G, Kennedy, S.D, Krugh, T.R, Turner, D.H. | Deposit date: | 2006-01-19 | Release date: | 2006-06-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | An Alternating Sheared AA Pair and Elements of Stability for a Single Sheared Purine-Purine Pair Flanked by Sheared GA Pairs in RNA Biochemistry, 45, 2006
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2DD2
| An alternating sheared AA pair in 5'GGUGAAGGCU/3'PCCGAAGCCG: I. The major conformation with A6/A15/A16 stack | Descriptor: | 5'-R(*GP*CP*CP*GP*AP*AP*GP*CP*CP*(P5P))-3', 5'-R(*GP*GP*UP*GP*AP*AP*GP*GP*CP*U)-3' | Authors: | Chen, G, Kennedy, S.D, Krugh, T.R, Turner, D.H. | Deposit date: | 2006-01-19 | Release date: | 2006-06-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | An Alternating Sheared AA Pair and Elements of Stability for a Single Sheared Purine-Purine Pair Flanked by Sheared GA Pairs in RNA Biochemistry, 45, 2006
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9F9A
| Crystal structure of MUS81-EME1 bound by compound 12. | Descriptor: | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | Authors: | Collie, G.W. | Deposit date: | 2024-05-07 | Release date: | 2024-06-19 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.911 Å) | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F9M
| Crystal structure of MUS81-EME1 bound by compound 21. | Descriptor: | 5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | Authors: | Collie, G.W. | Deposit date: | 2024-05-08 | Release date: | 2024-06-19 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.469 Å) | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F9K
| Crystal structure of MUS81-EME1 bound by compound 15. | Descriptor: | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | Authors: | Collie, G.W. | Deposit date: | 2024-05-07 | Release date: | 2024-07-03 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.728 Å) | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F99
| Crystal structure of MUS81-EME1 bound by compound 10. | Descriptor: | 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | Authors: | Collie, G.W. | Deposit date: | 2024-05-07 | Release date: | 2024-06-19 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F9L
| Crystal structure of MUS81-EME1 bound by compound 16. | Descriptor: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | Authors: | Collie, G.W. | Deposit date: | 2024-05-07 | Release date: | 2024-07-03 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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9F98
| Crystal structure of MUS81-EME1, apo form. | Descriptor: | Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81 | Authors: | Collie, G.W. | Deposit date: | 2024-05-07 | Release date: | 2024-07-03 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors. Acs Med.Chem.Lett., 15, 2024
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8OVZ
| Crystal structure of D1228V c-MET bound by compound 16 | Descriptor: | 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione, Hepatocyte growth factor receptor, IODIDE ION | Authors: | Collie, G.W. | Deposit date: | 2023-04-26 | Release date: | 2023-07-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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8OUU
| Crystal structure of D1228V c-MET bound by compound 29 | Descriptor: | 1,2-ETHANEDIOL, 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, FORMIC ACID, ... | Authors: | Collie, G.W. | Deposit date: | 2023-04-24 | Release date: | 2023-07-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem., 66, 2023
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