8CRM
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![BU of 8crm by Molmil](/molmil-images/mine/8crm) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11C6 refined against anomalous diffraction data | Descriptor: | 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine, Host translation inhibitor nsp1 | Authors: | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | Deposit date: | 2023-03-08 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1. Int J Mol Sci, 24, 2023
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8CRF
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![BU of 8crf by Molmil](/molmil-images/mine/8crf) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 5E11 refined against anomalous diffraction data | Descriptor: | Host translation inhibitor nsp1, ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine | Authors: | Ma, S, Mykhaylyk, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | Deposit date: | 2023-03-08 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1. Int J Mol Sci, 24, 2023
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8CRK
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![BU of 8crk by Molmil](/molmil-images/mine/8crk) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2 refined against anomalous diffraction data | Descriptor: | (1~{R})-1-(4-chlorophenyl)ethanamine, Host translation inhibitor nsp1 | Authors: | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | Deposit date: | 2023-03-08 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1. Int J Mol Sci, 24, 2023
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8RF2
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![BU of 8rf2 by Molmil](/molmil-images/mine/8rf2) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 1E7 refined against the anomalous diffraction data | Descriptor: | 1-benzothiophen-5-amine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RFF
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![BU of 8rff by Molmil](/molmil-images/mine/8rff) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data | Descriptor: | 1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF6
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![BU of 8rf6 by Molmil](/molmil-images/mine/8rf6) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL5 refined against the anomalous diffraction data | Descriptor: | 6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF8
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![BU of 8rf8 by Molmil](/molmil-images/mine/8rf8) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL6 refined against the anomalous diffraction data | Descriptor: | 6-bromanyl-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF3
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![BU of 8rf3 by Molmil](/molmil-images/mine/8rf3) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7G3 refined against the anomalous diffraction data | Descriptor: | 2-(1-benzothiophen-3-yl)ethanoic acid, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RFD
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![BU of 8rfd by Molmil](/molmil-images/mine/8rfd) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL2 refined against the anomalous diffraction data | Descriptor: | (1~{R})-1-(4-iodophenyl)ethanamine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF4
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![BU of 8rf4 by Molmil](/molmil-images/mine/8rf4) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 9D4 refined against the anomalous diffraction data | Descriptor: | 4-chloranyl-1~{H}-indazol-3-amine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RFC
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![BU of 8rfc by Molmil](/molmil-images/mine/8rfc) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL1 refined against the anomalous diffraction data | Descriptor: | (1~{R})-1-(4-bromophenyl)ethanamine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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8RF5
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![BU of 8rf5 by Molmil](/molmil-images/mine/8rf5) | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7 refined against the anomalous diffraction data | Descriptor: | 6-fluoro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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6PB0
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![BU of 6pb0 by Molmil](/molmil-images/mine/6pb0) | Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 1 receptor in complex with Gs protein and Nb35 | Descriptor: | CHOLESTEROL, Corticotropin-releasing factor receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E. | Deposit date: | 2019-06-12 | Release date: | 2020-02-12 | Last modified: | 2020-02-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors. Mol.Cell, 77, 2020
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6PB1
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![BU of 6pb1 by Molmil](/molmil-images/mine/6pb1) | Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in complex with Gs protein and Nb35 | Descriptor: | CHOLESTEROL, Corticotropin-releasing factor receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E. | Deposit date: | 2019-06-12 | Release date: | 2020-02-12 | Last modified: | 2020-02-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors. Mol.Cell, 77, 2020
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8AYS
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![BU of 8ays by Molmil](/molmil-images/mine/8ays) | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol | Descriptor: | 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | Deposit date: | 2022-09-03 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening. Int J Mol Sci, 23, 2022
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8AZ8
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![BU of 8az8 by Molmil](/molmil-images/mine/8az8) | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol | Descriptor: | 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | Deposit date: | 2022-09-05 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening. Int J Mol Sci, 23, 2022
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8A55
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![BU of 8a55 by Molmil](/molmil-images/mine/8a55) | |
2KW1
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![BU of 2kw1 by Molmil](/molmil-images/mine/2kw1) | Solution structure of CTD | Descriptor: | Fas apoptotic inhibitory molecule 1 | Authors: | Ma, S, Zheng, X, Jin, C. | Deposit date: | 2010-03-30 | Release date: | 2011-04-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of CTD To be Published
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7F4H
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![BU of 7f4h by Molmil](/molmil-images/mine/7f4h) | Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein, Nb35 and scFv16 | Descriptor: | Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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7F4D
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![BU of 7f4d by Molmil](/molmil-images/mine/7f4d) | Cryo-EM structure of alpha-MSH-bound melanocortin-1 receptor in complex with Gs protein and Nb35 | Descriptor: | CALCIUM ION, 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: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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7F4F
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![BU of 7f4f by Molmil](/molmil-images/mine/7f4f) | Cryo-EM structure of afamelanotide-bound melanocortin-1 receptor in complex with Gs protein and scFv16 | Descriptor: | Afamelanotide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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7F4I
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![BU of 7f4i by Molmil](/molmil-images/mine/7f4i) | Cryo-EM structure of SHU9119-bound melanocortin-1 receptor in complex with Gs protein and Nb35 | Descriptor: | CALCIUM ION, 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: | Ma, S, Chen, Y, Dai, A, Yin, W, Guo, J, Yang, D, Zhou, F, Jiang, Y, Wang, M.-W, Xu, H.E. | Deposit date: | 2021-06-18 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural mechanism of calcium-mediated hormone recognition and G beta interaction by the human melanocortin-1 receptor. Cell Res., 31, 2021
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7CMZ
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![BU of 7cmz by Molmil](/molmil-images/mine/7cmz) | Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8 | Descriptor: | DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ... | Authors: | Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N. | Deposit date: | 2020-07-29 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability. Sci Adv, 7, 2021
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8FCS
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![BU of 8fcs by Molmil](/molmil-images/mine/8fcs) | |
5EZ6
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![BU of 5ez6 by Molmil](/molmil-images/mine/5ez6) | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | Authors: | Yan, Z, Ma, S, Zhang, Y, Ma, L, Wang, F, Li, J, Miao, L. | Deposit date: | 2015-11-26 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA To Be Published
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