7GKV
 
 | | 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-4223bc15-23 (Mpro-P1090) | | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | 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 (1.876 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7E5C
 | | Bacterial prolidase mutant D45W/L225Y/H226L/H343I | | Descriptor: | MANGANESE (II) ION, Xaa-Pro dipeptidase | | Authors: | Yang, J. | | Deposit date: | 2021-02-18 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure-based redesign of the bacterial prolidase active-site pocket for efficient enhancement of methyl-parathion hydrolysis
Catalysis Science And Technology, 11, 2021
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7E36
 | | A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkanesulfonate monooxygenase SsuD/methylene tetrahydromethanopterin reductase-like flavin-dependent oxidoreductase (Luciferase family), ... | | Authors: | Zhang, B, Ge, H.M. | | Deposit date: | 2021-02-08 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A [6+4]-cycloaddition adduct is the biosynthetic intermediate in streptoseomycin biosynthesis.
Nat Commun, 12, 2021
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7EAM
 | | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | | Authors: | Li, T.T, Gu, Y, Li, S.W. | | Deposit date: | 2021-03-07 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
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7E2M
 | | Crystal structure of the RWD domain of human GCN2 - 2 | | Descriptor: | eIF-2-alpha kinase GCN2 | | Authors: | Hei, Z, Zhou, J, Liu, Z, Wang, J, Fang, P. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structures reveal a novel dimer of the RWD domain of human general control nonderepressible 2.
Biochem.Biophys.Res.Commun., 549, 2021
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7E2K
 | | Crystal structure of the RWD domain of human GCN2 - 1 | | Descriptor: | eIF-2-alpha kinase GCN2 | | Authors: | Hei, Z, Zhou, J, Liu, Z, Wang, J, Fang, P. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.041 Å) | | Cite: | Crystal structures reveal a novel dimer of the RWD domain of human general control nonderepressible 2.
Biochem.Biophys.Res.Commun., 549, 2021
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7E35
 | | Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43 | | Descriptor: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION | | Authors: | Liu, J, Wang, Y, Xu, X, Pan, L. | | Deposit date: | 2021-02-08 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
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7E9W
 | | The Crystal Structure of D-psicose-3-epimerase from Biortus. | | Descriptor: | D-psicose 3-epimerase, GLYCEROL, MANGANESE (II) ION | | Authors: | Wang, F, Xu, C, Qi, J, Zhang, M, Tian, F, Wang, M. | | Deposit date: | 2021-03-05 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of D-psicose-3-epimerase from Biortus.
To Be Published
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7E9V
 | | The Crystal Structure of human UMP-CMP kinase from Biortus. | | Descriptor: | SULFATE ION, UMP-CMP kinase | | Authors: | Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M. | | Deposit date: | 2021-03-05 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of human UMP-CMP kinase from Biortus.
To Be Published
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7EAN
 | | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 6D6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6, Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6, ... | | Authors: | Li, T.T, Gu, Y, Li, S.W. | | Deposit date: | 2021-03-07 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
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7E0D
 | | Structure of L-glutamate oxidase R305E mutant in complex with L-arginine | | Descriptor: | ARGININE, FLAVIN-ADENINE DINUCLEOTIDE, L-glutamate oxidase | | Authors: | Ito, N, Matsuo, S, Inagaki, K, Imada, K. | | Deposit date: | 2021-01-27 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A new l-arginine oxidase engineered from l-glutamate oxidase.
Protein Sci., 30, 2021
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7E0C
 | | Structure of L-glutamate oxidase R305E mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-glutamate oxidase | | Authors: | Ito, N, Matsuo, S, Inagaki, K, Imada, K. | | Deposit date: | 2021-01-27 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A new l-arginine oxidase engineered from l-glutamate oxidase.
Protein Sci., 30, 2021
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7E7V
 | | Crystal structure of RSL mutant in complex with sugar Ligand | | Descriptor: | 2-[2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate, Fucose-binding lectin protein,Fucose-binding lectin protein,Fucose-binding lectin protein, GLYCEROL | | Authors: | Li, L, Chen, G.S. | | Deposit date: | 2021-02-28 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal structure of RSL mutant in complex with Ligand
To Be Published
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7E7U
 | | Crystal structure of RSL mutant in complex with sugar Ligand | | Descriptor: | 2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate, Fucose-binding lectin protein,Fucose-binding lectin protein,Fucose-binding lectin protein, GLYCEROL | | Authors: | Li, L, Chen, G.S. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of RSL mutant in complex with Ligand
To Be Published
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7E7R
 | | Crystal structure of RSL mutant in complex with Ligand | | Descriptor: | 2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate, Fucose-binding lectin protein,Fucose-binding lectin protein,Fucose-binding lectin protein | | Authors: | Li, L, Chen, G.S. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of RSL mutant-R17A/R108A/R199A in complex with R3F
To Be Published
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7E7N
 | | Crystal structure of RSL mutant-R17A/R108A/R199A in complex with R3F | | Descriptor: | 2-[2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate, Fucose-binding lectin protein,Fucose-binding lectin protein,Fucose-binding lectin protein, GLYCEROL | | Authors: | Li, L, Chen, G.S. | | Deposit date: | 2021-02-26 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of RSL mutant in complex with suger Ligand
To Be Published
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7ECC
 | | M4 family peptidase PlM4P-mature form | | Descriptor: | CALCIUM ION, M4 family peptidase, PHOSPHATE ION, ... | | Authors: | Yang, J. | | Deposit date: | 2021-03-12 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | M4 family peptidase PlM4P-mature form
To Be Published
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7E4L
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7E9J
 | | Crystal Structure of POMGNT2 in complex with UDP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2021-03-04 | | Release date: | 2021-05-05 | | Last modified: | 2021-07-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structure of POMGNT2 provides new insights into the mechanism to determine the functional O-mannosylation site on alpha-dystroglycan.
Genes Cells, 26, 2021
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7E9L
 | | Crystal Structure of POMGNT2 in complex with UDP and mono-mannosyl peptide (379Man short peptide) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2021-03-04 | | Release date: | 2021-05-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of POMGNT2 provides new insights into the mechanism to determine the functional O-mannosylation site on alpha-dystroglycan.
Genes Cells, 26, 2021
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7GNU
 | | 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-133e7cd9-2 (Mpro-P3074) | | Descriptor: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile, 3C-like proteinase, CHLORIDE ION, ... | | 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: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GLB
 | | 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-015fb6b4-2 (Mpro-P1835) | | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | 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 (1.95 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GI8
 | | 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 MIC-UNK-45817b9b-1 (Mpro-P0060) | | Descriptor: | (4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | 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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7GLR
 | | 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 MIC-UNK-08cd9c58-1 (Mpro-P2010) | | Descriptor: | 2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide, 3C-like proteinase, CHLORIDE ION, ... | | 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 (1.788 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GIO
 | | 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-fce787c2-3 (Mpro-P0121) | | Descriptor: | (2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide, 3C-like proteinase, CHLORIDE ION, ... | | 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 (2.035 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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