8GYD
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![BU of 8gyd by Molmil](/molmil-images/mine/8gyd) | Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16 | Descriptor: | (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme | Authors: | Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X. | Deposit date: | 2022-09-22 | Release date: | 2023-08-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library. J.Med.Chem., 66, 2023
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8HP3
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![BU of 8hp3 by Molmil](/molmil-images/mine/8hp3) | Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis | Descriptor: | 1,2-ETHANEDIOL, Meso-diaminopimelate D-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tan, Y, Song, W. | Deposit date: | 2022-12-11 | Release date: | 2023-12-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine. Appl.Environ.Microbiol., 89, 2023
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8HP0
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![BU of 8hp0 by Molmil](/molmil-images/mine/8hp0) | Crystal structure of meso-diaminopimelate dehydrogenase from Prevotella timonensis | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION | Authors: | Tan, Y, Song, W. | Deposit date: | 2022-12-11 | Release date: | 2023-12-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Rational Design of Meso -Diaminopimelate Dehydrogenase with Enhanced Reductive Amination Activity for Efficient Production of d- p -Hydroxyphenylglycine. Appl.Environ.Microbiol., 89, 2023
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8I7H
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![BU of 8i7h by Molmil](/molmil-images/mine/8i7h) | Meso-Diaminopimelate dehydrogenase | Descriptor: | 2,6-DIAMINOPIMELIC ACID, Meso-diaminopimelate D-dehydrogenase, SULFATE ION | Authors: | Wu, T.F, Song, W. | Deposit date: | 2023-01-31 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Analysis of the catalytic mechanism of meso-DAPDH and extension of D-aromatic amino acid substrate scope To Be Published
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3HID
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![BU of 3hid by Molmil](/molmil-images/mine/3hid) | Crystal structure of adenylosuccinate synthetase from Yersinia pestis CO92 | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Adenylosuccinate synthetase | Authors: | Zhang, R, Zhou, M, Peterson, S, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-05-19 | Release date: | 2009-06-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of the adenylosuccinate synthetase from Yersinia pestis CO92 To be Published
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3SKS
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![BU of 3sks by Molmil](/molmil-images/mine/3sks) | Crystal structure of a putative oligoendopeptidase F from Bacillus anthracis str. Ames | Descriptor: | PHOSPHATE ION, Putative Oligoendopeptidase F, ZINC ION | Authors: | Wajerowicz, W, Onopriyenko, O, Porebski, P, Domagalski, M, Chruszcz, M, Savchenko, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-06-23 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of a putative oligoendopeptidase F from Bacillus anthracis str. Ames TO BE PUBLISHED
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3I99
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![BU of 3i99 by Molmil](/molmil-images/mine/3i99) | The crystal structure of the UDP-N-acetylenolpyruvoylglucosamine reductase from the Vibrio cholerae O1 biovar Tor | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, UDP-N-acetylenolpyruvoylglucosamine reductase | Authors: | Zhang, R, Gu, M, Peterson, S, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-10 | Release date: | 2009-10-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the UDP-N-acetylenolpyruvoylglucosamine reductase from the Vibrio cholerae O1 biovar Tor To be Published
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3IQ1
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![BU of 3iq1 by Molmil](/molmil-images/mine/3iq1) | Crystal structure of DPS protein from Vibrio cholerae O1, a member of a broad superfamily of ferritin-like diiron-carboxylate proteins | Descriptor: | CHLORIDE ION, DPS family protein | Authors: | Nocek, B, Peterson, S, Gu, M, Otwinowski, Z, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-18 | Release date: | 2009-09-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal structure of DPS protein from Vibrio cholerae O1, a member of a broad superfamily of ferritin-like diiron-carboxylate proteins TO BE PUBLISHED
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3SLB
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![BU of 3slb by Molmil](/molmil-images/mine/3slb) | Crystal structure of BA2930 in complex with AcCoA and cytosine | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-AMINOPYRIMIDIN-2(1H)-ONE, ... | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-06-24 | Release date: | 2011-07-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of BA2930 in complex with AcCoA and cytosine TO BE PUBLISHED
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3SLF
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![BU of 3slf by Molmil](/molmil-images/mine/3slf) | Crystal structure of BA2930 in complex with AcCoA and uracil | Descriptor: | ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION, ... | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-06-24 | Release date: | 2011-07-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of BA2930 in complex with AcCoA and uracil TO BE PUBLISHED
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7TZL
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![BU of 7tzl by Molmil](/molmil-images/mine/7tzl) | The DH dehydratase domain of AlnB | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase | Authors: | Swain, K, Blackson, W, Wang, B, Zhao, H, Nannenga, B.L. | Deposit date: | 2022-02-16 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The programming of alpha,beta-polyene biosynthesis by a bacterial iterative type I polyketide synthase To Be Published
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7VU8
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![BU of 7vu8 by Molmil](/molmil-images/mine/7vu8) | L7-Tir domain with bound ligand | Descriptor: | 2',3'- cyclic AMP, Flax rust resistance protein | Authors: | Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J. | Deposit date: | 2021-11-01 | Release date: | 2022-06-01 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death. Cell, 185, 2022
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8HPI
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![BU of 8hpi by Molmil](/molmil-images/mine/8hpi) | |
8HPC
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![BU of 8hpc by Molmil](/molmil-images/mine/8hpc) | |
8HPG
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![BU of 8hpg by Molmil](/molmil-images/mine/8hpg) | |
7GB3
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![BU of 7gb3 by Molmil](/molmil-images/mine/7gb3) | 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 DAV-CRI-3edb475e-6 (Mpro-x10172) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]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 (1.379 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GBH
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![BU of 7gbh by Molmil](/molmil-images/mine/7gbh) | 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 EDJ-MED-49816e9b-2 (Mpro-x10334) | Descriptor: | 2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-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 (1.581 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GBW
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![BU of 7gbw by Molmil](/molmil-images/mine/7gbw) | 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 JAN-GHE-83b26c96-8 (Mpro-x10423) | Descriptor: | (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide, 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 (1.559 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GCE
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![BU of 7gce by Molmil](/molmil-images/mine/7gce) | 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 BEN-DND-93268d01-7 (Mpro-x10598) | Descriptor: | 3-(2-fluorophenyl)-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 (1.39 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GCV
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![BU of 7gcv by Molmil](/molmil-images/mine/7gcv) | 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-2eddb1ff-7 (Mpro-x10789) | Descriptor: | 2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-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 (1.964 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GD2
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![BU of 7gd2 by Molmil](/molmil-images/mine/7gd2) | 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-3 (Mpro-x10862) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]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 (1.65 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GDD
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![BU of 7gdd by Molmil](/molmil-images/mine/7gdd) | 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 ADA-UCB-6c2cb422-1 (Mpro-x10959) | Descriptor: | 2-(3-chlorophenyl)-N-(isoquinolin-4-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 (1.34 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GDI
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![BU of 7gdi by Molmil](/molmil-images/mine/7gdi) | 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 EDJ-MED-49816e9b-1 (Mpro-x11011) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)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 (1.8 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GDT
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![BU of 7gdt by Molmil](/molmil-images/mine/7gdt) | 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 MAK-UNK-0d6072ac-20 (Mpro-x11223) | Descriptor: | (2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid, 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 (1.509 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GDX
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![BU of 7gdx by Molmil](/molmil-images/mine/7gdx) | 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 LOR-NOR-30067bb9-7 (Mpro-x11254) | Descriptor: | (3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one, 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 (1.839 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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