6FMY
 
 | | IMISX-EP of S-PepTSt | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Di-or tripeptide:H+ symporter, ... | | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | Deposit date: | 2018-02-02 | | Release date: | 2018-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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6FMS
 | | IMISX-EP of Se-LspA | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase | | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | Deposit date: | 2018-02-02 | | Release date: | 2018-08-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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5D59
 | | In meso X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALANINE, ... | | Authors: | Huang, C.-Y, Olieric, V, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D5C
 | | In meso in situ serial X-ray crystallography structure of lysozyme at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D52
 | | In meso in situ serial X-ray crystallography structure of insulin at room temperature | | Descriptor: | Insulin A chain, Insulin B chain, PHOSPHATE ION | | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D54
 | | In meso X-ray crystallography structure of insulin at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ... | | Authors: | Huang, C.-Y, Olieric, V, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D57
 | | In meso X-ray crystallography structure of diacylglycerol kinase, DgkA, at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Diacylglycerol kinase | | Authors: | Huang, C.-Y, Howe, N, Olieric, V, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D5E
 | | In meso in situ serial X-ray crystallography structure of insulin by sulfur-SAD at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ... | | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D5A
 | | In meso in situ serial X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K | | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ... | | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Liu, X, Kobilka, B, Kay Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4826 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D5F
 | | In meso in situ serial X-ray crystallography structure of lysozyme by bromine-SAD at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D53
 | | In meso in situ serial X-ray crystallography structure of insulin at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D56
 | | In meso in situ serial X-ray crystallography structure of diacylglycerol kinase, DgkA, at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, CITRATE ANION, ... | | Authors: | Huang, C.-Y, Howe, N, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D5B
 | | In meso X-ray crystallography structure of the Beta2-adrenergic receptor at 100 K | | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ... | | Authors: | Huang, C.-Y, Olieric, V, Liu, X, Kobilka, B, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D58
 | | In meso in situ serial X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALANINE, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5D5D
 | | In meso in situ serial X-ray crystallography structure of AlgE at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | Authors: | Ma, P, Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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7GRZ
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-22 | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS5
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-28 | | Descriptor: | (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS3
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-26 | | Descriptor: | (6-phenylpyridin-3-yl)methanamine, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS2
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-25 | | Descriptor: | 3-(pyridin-3-yl)benzoic acid, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRH
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-4 | | Descriptor: | 3C-like proteinase nsp5, 5-chloropyridin-3-ol, DIMETHYL SULFOXIDE, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GS6
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-29 | | Descriptor: | (3S)-4,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRG
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-3 | | Descriptor: | 3,5-dichloropyridin-4-amine, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRP
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-12 | | Descriptor: | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRT
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-16 | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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7GRK
 | | Crystal structure of SARS-CoV-2 main protease in complex with cpd-7 | | Descriptor: | (6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A. | | Deposit date: | 2023-11-14 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
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