7BVF
| Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | Descriptor: | CALCIUM ION, CARDIOLIPIN, Ethambutol, ... | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | Deposit date: | 2020-04-10 | Release date: | 2020-04-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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7BVE
| Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol | Descriptor: | CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ... | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | Deposit date: | 2020-04-10 | Release date: | 2020-04-29 | Last modified: | 2020-07-01 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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7BVG
| Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose. | Descriptor: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | Authors: | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | Deposit date: | 2020-04-10 | Release date: | 2020-04-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol. Science, 368, 2020
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8IPT
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8IPR
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8IPS
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8IPQ
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3GW5
| Crystal structure of human renin complexed with a novel inhibitor | Descriptor: | (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, Z, McKeever, B.M. | Deposit date: | 2009-03-31 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and optimization of renin inhibitors: Orally bioavailable alkyl amines. Bioorg.Med.Chem.Lett., 19, 2009
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3E7J
| HeparinaseII H202A/Y257A double mutant complexed with a heparan sulfate tetrasaccharide substrate | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Heparinase II protein, ... | Authors: | Shaya, D, Cygler, M. | Deposit date: | 2008-08-18 | Release date: | 2008-12-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Catalytic mechanism of heparinase II investigated by site-directed mutagenesis and the crystal structure with its substrate. J.Biol.Chem., 285, 2010
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3KM4
| Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors | Descriptor: | (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, Z, McKeever, B.M. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of orally bioavailable alkyl amine renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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7X1R
| Cryo-EM structure of human thioredoxin reductase bound by Au | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin reductase 1, ... | Authors: | He, Z.S, Cao, P, Cao, S.H, He, B, Jiang, H.D, Gong, Y, Gao, X.Y. | Deposit date: | 2022-02-24 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Au4 cluster inhibits human thioredoxin reductase activity via specifically binding of Au to Cys189 Nano Today, 47, 2022
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7BX8
| Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state" | Descriptor: | Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein | Authors: | Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H. | Deposit date: | 2020-04-17 | Release date: | 2020-05-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2. Protein Cell, 11, 2020
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7BWR
| Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in substrate DPA bound asymmetric "active state" | Descriptor: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein, ... | Authors: | Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H. | Deposit date: | 2020-04-15 | Release date: | 2020-05-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2. Protein Cell, 11, 2020
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8IMF
| Human cGAS catalytic domain bound with baicalein | Descriptor: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IME
| Human cGAS catalytic domain bound with baicalin | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IMG
| Human cGAS catalytic domain bound with C20 | Descriptor: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Li, J.M, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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5HXW
| L-amino acid deaminase from Proteus vulgaris | Descriptor: | CETYL-TRIMETHYL-AMMONIUM, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase | Authors: | Zhou, H, Ju, Y, Niu, L, Teng, M. | Deposit date: | 2016-01-31 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris J.Struct.Biol., 195, 2016
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5I39
| High resolution structure of L-amino acid deaminase from Proteus vulgaris with the deletion of the specific insertion sequence | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase | Authors: | Zhou, H, Ju, Y, Niu, L, Teng, M. | Deposit date: | 2016-02-10 | Release date: | 2016-08-03 | Last modified: | 2016-08-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris J.Struct.Biol., 195, 2016
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3LRA
| Structural Basis for Assembling a Human Tripartite Complex Dlg1-MPP7-Mals3 | Descriptor: | Disks large homolog 1, MAGUK p55 subfamily member 7, Protein lin-7 homolog C | Authors: | Yang, X, Xie, X, Shen, Y, Long, J. | Deposit date: | 2010-02-10 | Release date: | 2010-11-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for tandem L27 domain-mediated polymerization Faseb J., 24, 2010
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3MIL
| Crystal structure of isoamyl acetate-hydrolyzing esterase from Saccharomyces cerevisiae | Descriptor: | GLYCEROL, Isoamyl acetate-hydrolyzing esterase | Authors: | Ma, J, Lu, Q, Yuan, Y, Li, K, Ge, H, Go, Y, Niu, L, Teng, M. | Deposit date: | 2010-04-11 | Release date: | 2010-11-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of isoamyl acetate-hydrolyzing esterase from Saccharomyces cerevisiae reveals a novel active site architecture and the basis of substrate specificity Proteins, 79, 2011
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7DPV
| SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin | Descriptor: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPP
| SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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7DPU
| SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin | Descriptor: | 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-21 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease. Nat Commun, 12, 2021
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3Q3T
| Alkyl Amine Renin Inhibitors: Filling S1 from S3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Wu, Z, McKeever, B. | Deposit date: | 2010-12-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket. Bioorg.Med.Chem.Lett., 21, 2011
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3Q4B
| Clinically Useful Alkyl Amine Renin Inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ... | Authors: | Wu, Z, McKeever, B.M. | Deposit date: | 2010-12-23 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility. ACS Med Chem Lett, 2, 2011
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