6QX2
 
 | | 3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA | | Descriptor: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D. | | Deposit date: | 2019-03-06 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.
Bioorg.Med.Chem.Lett., 29, 2019
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7XAD
 | | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | | Descriptor: | DBL2_02 binder, Programmed cell death 1 ligand 1 | | Authors: | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | | Deposit date: | 2022-03-17 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7XYQ
 | | Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder | | Descriptor: | ARGININE, CD274 molecule, DBL1_03 | | Authors: | Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S. | | Deposit date: | 2022-06-02 | | Release date: | 2023-04-12 | | Last modified: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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6P8N
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6P8M
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7ZSD
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, local | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-06 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZSS
 | | cryo-EM structure of D614 spike in complex with de novo designed binder | | 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 glycoprotein, ... | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-08 | | Release date: | 2023-03-01 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7ZRV
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, full map | | 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 glycoprotein,Envelope glycoprotein, ... | | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | Deposit date: | 2022-05-05 | | Release date: | 2023-03-08 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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6P73
 | | Cytochrome-C-nitrite reductase | | Descriptor: | CALCIUM ION, Cytochrome c-552, HEME C | | Authors: | Schmidt, M, Pacheco, A. | | Deposit date: | 2019-06-04 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Trapping of a Putative Intermediate in the CytochromecNitrite Reductase (ccNiR)-Catalyzed Reduction of Nitrite: Implications for the ccNiR Reaction Mechanism.
J.Am.Chem.Soc., 141, 2019
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6VLW
 | | Crystal Structure of 426cOD in Complex with VRC01 Fab | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 426cOD, ... | | Authors: | Weidle, C, Pancera, M. | | Deposit date: | 2020-01-27 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | HIV-1 VRC01 Germline-Targeting Immunogens Select Distinct Epitope-Specific B Cell Receptors.
Immunity, 53, 2020
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4EO3
 | | Peroxiredoxin Nitroreductase Fusion Enzyme | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Bacterioferritin comigratory protein/NADH dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Prosper, P, Haouz, A, Navaza, A, Jacquot, J.-P, Rouhier, N. | | Deposit date: | 2012-04-13 | | Release date: | 2012-10-17 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | In the absence of thioredoxins, what are the reductants for peroxiredoxins in Thermotoga maritima?
Antioxid Redox Signal, 18, 2013
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5NPK
 | | 1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA | | Descriptor: | CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, ... | | Authors: | Bax, B.D, Chan, P.F, Stavenger, R.A. | | Deposit date: | 2017-04-17 | | Release date: | 2017-07-12 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5NPP
 | | 2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA | | Descriptor: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DIMETHYL SULFOXIDE, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Bax, B.D, Chan, P.F, Stavenger, R.A. | | Deposit date: | 2017-04-18 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7ZZN
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8A0I
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8A08
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8A0R
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8A0Q
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8A0O
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8A0P
 | | Crystal structure of poplar glutathione transferase U20 in complex with morin | | Descriptor: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, CHLORIDE ION, Glutathione transferase | | Authors: | Didierjean, C, Favier, F. | | Deposit date: | 2022-05-30 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.686 Å) | | Cite: | Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
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7ZS3
 | | Crystal structure of poplar glutathione transferase U19 | | Descriptor: | ACETATE ION, Glutathione transferase | | Authors: | Didierjean, C, Favier, F. | | Deposit date: | 2022-05-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
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7ZVP
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5F07
 | | Crystal structure of glutathione transferase F8 from Populus trichocarpa | | Descriptor: | GLUTATHIONE, Putative glutathione S-transferase family protein | | Authors: | Didierjean, C, Rouhier, N, Pegeot, H, Gense, F. | | Deposit date: | 2015-11-27 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural plasticity among glutathione transferase Phi members: natural combination of catalytic residues confers dual biochemical activities.
FEBS J., 284, 2017
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5EY6
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5F05
 | | Crystal structure of glutathione transferase F5 from Populus trichocarpa | | Descriptor: | DODECAETHYLENE GLYCOL, GLUTATHIONE, GLYCEROL, ... | | Authors: | Didierjean, C, Rouhier, N, Pegeot, H, Gense, F. | | Deposit date: | 2015-11-27 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural plasticity among glutathione transferase Phi members: natural combination of catalytic residues confers dual biochemical activities.
FEBS J., 284, 2017
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