7CS4
 
 | | IiPLR1 with NADP+ and (+)pinoresinol | | Descriptor: | 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase | | Authors: | Shao, K, Zhang, P. | | Deposit date: | 2020-08-14 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.30509257 Å) | | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
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7CSA
 | | AtPrR1 with NADP+ | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1 | | Authors: | Shao, K, Zhang, P. | | Deposit date: | 2020-08-14 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.96212828 Å) | | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
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7CSB
 | | AtPrR1 with NADP+ and (+)pinoresinol | | Descriptor: | 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1 | | Authors: | Shao, K, Zhang, P. | | Deposit date: | 2020-08-14 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.002017 Å) | | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
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7CSH
 | | AtPrR2 with NADP+ and (+)pinoresinol | | Descriptor: | 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 2 | | Authors: | Shao, K, Zhang, P. | | Deposit date: | 2020-08-14 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.590775 Å) | | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
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7CS7
 | | IiPLR1 with NADP+ and (+)secoisolariciresinol | | Descriptor: | (2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase | | Authors: | Shao, K, Zhang, P. | | Deposit date: | 2020-08-14 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.297653 Å) | | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
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7WID
 | | Crystal structure of Staphylococcus aureus ClpP in complex with ZG180 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2022-01-03 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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7WGS
 | | Structure of ClpP from Staphylococcus aureus in complex with (S)-ZG197 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit | | Authors: | Yang, C.-G, Gan, J.H. | | Deposit date: | 2021-12-28 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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7WH5
 | | Crystal structure of human ClpP in complex with ZG180 | | Descriptor: | (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2021-12-29 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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5YH5
 | | The crystal structure of Staphylococcus aureus CntA in apo form | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nickel ABC transporter substrate-binding protein | | Authors: | Song, L, Ji, Q. | | Deposit date: | 2017-09-27 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YHG
 | | The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and zinc | | Descriptor: | (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Ji, Q, Song, L. | | Deposit date: | 2017-09-28 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7EJV
 | | The co-crystal structure of DYRK2 with YK-2-69 | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | | Authors: | Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P. | | Deposit date: | 2021-04-02 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
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5YH8
 | | The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and nickel | | Descriptor: | (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Ji, Q, Song, L. | | Deposit date: | 2017-09-27 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YHE
 | | The crystal structure of Staphylococcus aureus CntA in complex with staphylopine and cobalt | | Descriptor: | (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Song, L, Ji, Q. | | Deposit date: | 2017-09-28 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.465 Å) | | Cite: | Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7VS2
 | | secreted fungal effector protein MoErs1 | | Descriptor: | MoErs1 | | Authors: | Wang, F.F, Xing, W.M. | | Deposit date: | 2021-10-25 | | Release date: | 2023-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting Magnaporthe oryzae effector MoErs1 and host papain-like protease OsRD21 interaction to combat rice blast.
Nat.Plants, 2024
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5ZNP
 | | Crystal structure of PtSHL in complex with an H3K4me3 peptide | | Descriptor: | 15-mer peptide from Histone H3.2, SHORT LIFE family protein, ZINC ION | | Authors: | Lv, X, Du, J. | | Deposit date: | 2018-04-10 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL.
Nat Commun, 9, 2018
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7XBZ
 | | Crystal structure of Staphylococcus aureus ClpP in complex with R-ZG197 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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5ZNR
 | | Crystal structure of PtSHL in complex with an H3K27me3 peptide | | Descriptor: | 17-mer peptide from Histone H3.2, SHORT LIFE family protein, SULFATE ION, ... | | Authors: | Lv, X, Du, J. | | Deposit date: | 2018-04-10 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL.
Nat Commun, 9, 2018
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7FH5
 | | Structure of AdaV | | Descriptor: | AdaV, CHLORIDE ION, FE (III) ION | | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | | Deposit date: | 2021-07-29 | | Release date: | 2022-08-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
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7DYY
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7DYZ
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7DZ1
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7DZ0
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7DUY
 | | Crystal structure of VIM-2 MBL in complex with 1-(2-(1H-1,2,3-triazol-1-yl)ethyl)-1H-imidazole-2-carboxylic acid | | Descriptor: | 1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | Authors: | Li, G.-B, Yan, Y.-H. | | Deposit date: | 2021-01-12 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
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7DV0
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7DUX
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