7GCC
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![BU of 7gcc by Molmil](/molmil-images/mine/7gcc) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-95b75b4d-4 (Mpro-x10566) | Descriptor: | 2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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3JU1
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![BU of 3ju1 by Molmil](/molmil-images/mine/3ju1) | Crystal Structure of Enoyl-CoA Hydratase/Isomerase Family Protein | Descriptor: | ACETIC ACID, Enoyl-CoA hydratase/isomerase family protein, FORMIC ACID, ... | Authors: | Kim, Y, Xu, X, Cui, H, Ng, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-09-14 | Release date: | 2009-09-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Crystal Structure of Enoyl-CoA Hydratase/Isomerase Family Protein To be Published
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7GH1
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![BU of 7gh1 by Molmil](/molmil-images/mine/7gh1) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-2bb0cf2b-1 (Mpro-x12731) | Descriptor: | (4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GCT
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![BU of 7gct by Molmil](/molmil-images/mine/7gct) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BRU-LEF-c49414a7-1 (Mpro-x10756) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GH7
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![BU of 7gh7 by Molmil](/molmil-images/mine/7gh7) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TRY-UNI-714-22 (Mpro-x2912) | Descriptor: | (2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GD1
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![BU of 7gd1 by Molmil](/molmil-images/mine/7gd1) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with BAR-COM-0f94fc3d-58 (Mpro-x10856) | Descriptor: | (2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7EVV
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![BU of 7evv by Molmil](/molmil-images/mine/7evv) | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with JE6 and L-pro | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PROLINE, ... | Authors: | Malhotra, N, Mishra, S, Manickam, Y, Sharma, A. | Deposit date: | 2021-05-22 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Double drugging of prolyl-tRNA synthetase provides a new paradigm for anti-infective drug development. Plos Pathog., 18, 2022
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3KYE
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![BU of 3kye by Molmil](/molmil-images/mine/3kye) | Crystal Structure of Roadblock/LC7 Domain from Streptomyces avermitilis | Descriptor: | Roadblock/LC7 domain, Robl_LC7 | Authors: | Kim, Y, Xu, X, Cui, H, Ng, J, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-12-05 | Release date: | 2009-12-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of Roadblock/LC7 Domain from Streptomyces avermitilis To be Published
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3KZV
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![BU of 3kzv by Molmil](/molmil-images/mine/3kzv) | The crystal structure of a cytoplasmic protein with unknown function from Saccharomyces cerevisiae | Descriptor: | GLYCEROL, Uncharacterized oxidoreductase YIR035C | Authors: | Zhang, R, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-12-08 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of a cytoplasmic protein with unknown function from Saccharomyces cerevisiae To be Published
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1ASQ
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![BU of 1asq by Molmil](/molmil-images/mine/1asq) | X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, AZIDE ION, ... | Authors: | Messerschmidt, A, Luecke, H, Huber, R. | Deposit date: | 1992-11-25 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms. J.Mol.Biol., 230, 1993
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6C1H
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![BU of 6c1h by Molmil](/molmil-images/mine/6c1h) | High-Resolution Cryo-EM Structures of Actin-bound Myosin States Reveal the Mechanism of Myosin Force Sensing | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Mentes, A, Huehn, A, Liu, X, Zwolak, A, Dominguez, R, Shuman, H, Ostap, E.M, Sindelar, C.V. | Deposit date: | 2018-01-04 | Release date: | 2018-01-31 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3L19
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![BU of 3l19 by Molmil](/molmil-images/mine/3l19) | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820 | Descriptor: | CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL, ... | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-11 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820 To be Published
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3KXR
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![BU of 3kxr by Molmil](/molmil-images/mine/3kxr) | Structure of the cystathionine beta-synthase pair domain of the putative Mg2+ transporter SO5017 from Shewanella oneidensis MR-1. | Descriptor: | CHLORIDE ION, Magnesium transporter, putative | Authors: | Fratczak, Z, Zimmerman, M.D, Chruszcz, M, Cymborowski, M, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-12-03 | Release date: | 2009-12-15 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure of the cystathionine beta-synthase pair domain of the putative Mg2+ transporter SO5017 from Shewanella oneidensis MR-1. To be Published
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5WAH
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![BU of 5wah by Molmil](/molmil-images/mine/5wah) | SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN | Descriptor: | IgA FC receptor | Authors: | ELETSKY, A, CHEN, C, FONG, J.J, NIZET, V, VARKI, A, PRESTEGARD, J.H. | Deposit date: | 2017-06-26 | Release date: | 2018-06-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN To Be Published
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7F8S
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![BU of 7f8s by Molmil](/molmil-images/mine/7f8s) | Pennisetum glaucum (Pearl millet) dehydroascorbate reductase (DHAR) with catalytic cysteine (Cy20) in sulphenic and sulfinic acid forms. | Descriptor: | Dehydroascorbate reductase, SULFATE ION | Authors: | Das, B.K, Kumar, A, Sreeshma, N.S, Arockiasamy, A. | Deposit date: | 2021-07-02 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Comparative kinetic analysis of ascorbate (Vitamin-C) recycling dehydroascorbate reductases from plants and humans. Biochem.Biophys.Res.Commun., 591, 2021
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5Z79
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![BU of 5z79 by Molmil](/molmil-images/mine/5z79) | Crystal Structure Analysis of the HPPK-DHPS in complex with substrates | Descriptor: | 4-AMINOBENZOIC ACID, 5'-DEOXYADENOSINE, 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE, ... | Authors: | Manickam, Y, Karl, H, Sharma, A. | Deposit date: | 2018-01-27 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase-dihydropteroate synthase fromPlasmodium vivaxsheds light on drug resistance J. Biol. Chem., 293, 2018
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7EVU
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![BU of 7evu by Molmil](/molmil-images/mine/7evu) | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with HFG and JE6 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Prolyl-tRNA synthetase (ProRS), ... | Authors: | Mishra, S, Malhotra, N, Manickam, Y, Sharma, A. | Deposit date: | 2021-05-22 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Double drugging of prolyl-tRNA synthetase provides a new paradigm for anti-infective drug development. Plos Pathog., 18, 2022
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5D8M
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![BU of 5d8m by Molmil](/molmil-images/mine/5d8m) | Crystal structure of the metagenomic carboxyl esterase MGS0156 | Descriptor: | Metagenomic carboxyl esterase MGS0156 | Authors: | Cui, H, Nocek, B, Tchigvintsev, A, Popovic, A, Savchenko, A, Joachimiak, A, Yakunin, A. | Deposit date: | 2015-08-17 | Release date: | 2016-10-05 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of esterase (MGS0156) To Be Published
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6O3K
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![BU of 6o3k by Molmil](/molmil-images/mine/6o3k) | |
6O3U
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![BU of 6o3u by Molmil](/molmil-images/mine/6o3u) | |
6YXB
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![BU of 6yxb by Molmil](/molmil-images/mine/6yxb) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant (space group P21) | Descriptor: | FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-04-30 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
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6YX6
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![BU of 6yx6 by Molmil](/molmil-images/mine/6yx6) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant (no morpholine) | Descriptor: | FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-04-30 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
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6YX4
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![BU of 6yx4 by Molmil](/molmil-images/mine/6yx4) | Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant with morpholine | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ... | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-04-30 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins. J.Biol.Chem., 296, 2021
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6O3D
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6O3J
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![BU of 6o3j by Molmil](/molmil-images/mine/6o3j) | Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA) | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, MPER peptide, ... | Authors: | Irimia, A, Wilson, I.A. | Deposit date: | 2019-02-26 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.416 Å) | Cite: | An MPER antibody neutralizes HIV-1 using germline features shared among donors. Nat Commun, 10, 2019
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