8FSR
 
 | | Complex Structure of YejA with fMccA | | Descriptor: | Peptide Precursor of Microcin C7, YejA | | Authors: | Naik, S.K, Dong, S.-H. | | Deposit date: | 2023-01-11 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Trojan Horse Peptide Conjugates Remodel the Activity Spectrum of Clinical Antibiotics
To Be Published
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6KJJ
 | | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | | Descriptor: | 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid, Putative beta-lactamase | | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | | Deposit date: | 2019-07-22 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.492 Å) | | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
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8FSQ
 | | Complex Structure of YejA with Microcin C7 | | Descriptor: | 5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine, Microcin C7 peptide portion, YejA | | Authors: | Naik, S.K, Dong, S.-H. | | Deposit date: | 2023-01-11 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Trojan Horse Peptide Conjugates Remodel the Activity Spectrum of Clinical Antibiotics
To Be Published
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5TVA
 | | A. aeolicus BioW with AMP and CoA | | Descriptor: | 6-carboxyhexanoate--CoA ligase, ADENOSINE MONOPHOSPHATE, COENZYME A | | Authors: | Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. | | Deposit date: | 2016-11-08 | | Release date: | 2016-12-07 | | Last modified: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
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6KJT
 | | Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors | | Descriptor: | Putative beta-lactamase, SUCCINIC ACID | | Authors: | Xiao, F, Dong, S, Feng, Y, Li, W. | | Deposit date: | 2019-07-23 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
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5TV8
 | | A. aeolicus BioW with AMP-CPP and pimelate | | Descriptor: | 6-carboxyhexanoate--CoA ligase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | | Authors: | Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. | | Deposit date: | 2016-11-08 | | Release date: | 2016-12-07 | | Last modified: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
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5TV6
 | | A. aeolicus BioW with pimelate | | Descriptor: | 6-carboxyhexanoate--CoA ligase, PIMELIC ACID | | Authors: | Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. | | Deposit date: | 2016-11-08 | | Release date: | 2016-12-07 | | Last modified: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (2.456 Å) | | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
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5TV5
 | | BioW from Aquifex aeoulicus | | Descriptor: | 6-carboxyhexanoate--CoA ligase | | Authors: | Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. | | Deposit date: | 2016-11-08 | | Release date: | 2016-12-07 | | Last modified: | 2017-05-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
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8H8C
 | | Type VI secretion system effector RhsP in its post-autoproteolysis and dimeric form | | Descriptor: | C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein | | Authors: | Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H. | | Deposit date: | 2022-10-22 | | Release date: | 2023-01-18 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP.
Cell Rep, 41, 2022
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8H8B
 | | Type VI secretion system effector RhsP in its pre-autoproteolysis and monomeric form | | Descriptor: | Putative Rhs-family protein | | Authors: | Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H. | | Deposit date: | 2022-10-22 | | Release date: | 2023-01-18 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP.
Cell Rep, 41, 2022
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8H8A
 | | Type VI secretion system effector RhsP in its post-autoproteolysis and monomeric form | | Descriptor: | C-terminal peptide from Putative Rhs-family protein, Putative Rhs-family protein | | Authors: | Tang, L, Dong, S.Q, Rasheed, N, Wu, H.W, Zhou, N.K, Li, H.D, Wang, M.L, Zheng, J, He, J, Chao, W.C.H. | | Deposit date: | 2022-10-22 | | Release date: | 2023-01-18 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Vibrio parahaemolyticus prey targeting requires autoproteolysis-triggered dimerization of the type VI secretion system effector RhsP.
Cell Rep, 41, 2022
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8H97
 | | GH86 agarase Aga86A_Wa | | Descriptor: | Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL | | Authors: | Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
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8HOT
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8HDJ
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8HOO
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5YJ6
 | | The exoglucanase CelS from Clostridium thermocellum | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, Dockerin type I repeat-containing protein | | Authors: | Liu, Y.J, Liu, S.Y, Dong, S, Li, R.M, Feng, Y.G, Cui, Q. | | Deposit date: | 2017-10-09 | | Release date: | 2018-01-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum
Biotechnol Biofuels, 11, 2018
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7VZR
 | | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the smaller form) | | Descriptor: | BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ... | | Authors: | Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F. | | Deposit date: | 2021-11-16 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.22 Å) | | Cite: | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c
Nat Commun, 13, 2022
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7VZG
 | | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form) | | Descriptor: | BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ... | | Authors: | Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F. | | Deposit date: | 2021-11-16 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c.
Nat Commun, 13, 2022
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5Y6J
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7EGN
 | | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-03-24 | | Release date: | 2021-08-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | H-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450
Acs Catalysis, 11, 2021
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7WDH
 | | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WDG
 | | Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7Y0S
 | | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine and hydroxylamine | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, I7X-TYR-TYR, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2022-06-06 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine and hydroxylamine
To Be Published
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7Y0U
 | | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine and hydroxylamine | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, I7X-PHE-PHE, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2022-06-06 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine and hydroxylamine
To Be Published
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7Y0R
 | | Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine | | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, 4-METHYLANILINE, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | | Deposit date: | 2022-06-06 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine
To Be Published
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