7Y0G
 
 | | Crystal structure of anti-mPEG h15-2b Fab | | Descriptor: | 15-2b heavy chain, 15-2b light chain, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL | | Authors: | Chang, C.Y, Nguyen, T.M.T, Lin, E.C, Su, Y.C. | | Deposit date: | 2022-06-05 | | Release date: | 2022-08-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural determination of an antibody that specifically recognizes polyethylene glycol with a terminal methoxy group.
Commun Chem, 5, 2022
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7Y5F
 | | Crystal structure of CmnC in complex with L-homoarginine | | Descriptor: | CmnC, FE (III) ION, L(+)-TARTARIC ACID, ... | | Authors: | Hsiao, Y.H, Huang, S.J, Lin, E.C, Lee, Y.C, Chang, C.Y. | | Deposit date: | 2022-06-17 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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7Y5I
 | | Crystal structure of CmnC in complex with L-homoarginine | | Descriptor: | ARGININE, CmnC, FE (III) ION, ... | | Authors: | Hsiao, Y.H, Huang, S.J, Lin, E.C, Lee, Y.C, Chang, C.Y. | | Deposit date: | 2022-06-17 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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7Y5P
 | | Crystal structure of CmnC in complex with L-arginine and alpha-KG | | Descriptor: | 2-OXOGLUTARIC ACID, ARGININE, CmnC, ... | | Authors: | Hsiao, Y.H, Huang, S.J, Lin, E.C, Lee, Y.C, Chang, C.Y. | | Deposit date: | 2022-06-17 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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7YHE
 | | Crystal structure of the triple mutant CmnC-L136Q,S138G,D249Y in complex with alpha-KG | | Descriptor: | 2-OXOGLUTARIC ACID, CmnC, FE (III) ION, ... | | Authors: | Huang, S.J, Hsiao, Y.H, Lin, E.C, Hsiao, P.Y, Chang, C.Y. | | Deposit date: | 2022-07-13 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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7YW9
 | | Crystal structure of the triple mutant CmnC-L136Q,S138G,D249Y in complex with alpha-KG | | Descriptor: | ACETATE ION, CmnC, D-ARGININE, ... | | Authors: | Huang, S.J, Hsiao, Y.H, Lin, E.C, Hsiao, P.Y, Chang, C.Y. | | Deposit date: | 2022-08-22 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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2N28
 | | Solid-state NMR structure of Vpu | | Descriptor: | Protein Vpu | | Authors: | Zhang, H, Lin, E.C, Tian, Y, Das, B.B, Opella, S.J. | | Deposit date: | 2015-05-01 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | Structural determination of virus protein U from HIV-1 by NMR in membrane environments.
Biochim.Biophys.Acta, 1848, 2015
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2N29
 | | Solution-state NMR structure of Vpu cytoplasmic domain | | Descriptor: | Protein Vpu | | Authors: | Zhang, H, Lin, E.C, Tian, Y, Das, B.B, Opella, S.J. | | Deposit date: | 2015-05-01 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural determination of virus protein U from HIV-1 by NMR in membrane environments.
Biochim.Biophys.Acta, 1848, 2015
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7VGN
 | | Crystal structure of CmnC | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CmnC, ... | | Authors: | Huang, S.J, Hsiao, Y.H, Lin, E.C, Lee, Y.C, Zheng, Y.Z, Chang, C.Y. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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7VGL
 | | Crystal structure of CmnC | | Descriptor: | ACETATE ION, CmnC | | Authors: | Hsiao, Y.H, Huang, S.J, Lin, E.C, Lee, Y.C, Zheng, Y.Z, Chang, C.Y. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer.
Front Chem, 10, 2022
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7V5S
 | | Crystal structure of human bleomycin hydrolase C73A mutant | | Descriptor: | Bleomycin hydrolase, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | | Authors: | Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C. | | Deposit date: | 2021-08-18 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
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7V5L
 | | Crystal structure of human bleomycin hydrolase | | Descriptor: | Bleomycin hydrolase | | Authors: | Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C. | | Deposit date: | 2021-08-17 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
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7V5T
 | | Crystal structure of human bleomycin hydrolase C73S mutant | | Descriptor: | Bleomycin hydrolase | | Authors: | Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C. | | Deposit date: | 2021-08-18 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
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7XF9
 | | Crystal structure of human bleomycin hydrolase H372A mutant | | Descriptor: | Bleomycin hydrolase | | Authors: | Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C. | | Deposit date: | 2022-04-01 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
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6SLZ
 | | Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist | | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | | Deposit date: | 2019-08-21 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist
To Be Published
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6Q2W
 | | Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | | Authors: | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | | Deposit date: | 2018-12-03 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
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6DCV
 | | Crystal structure of human anti-tau antibody CBTAU-27.1 | | Descriptor: | GLYCEROL, Light chain of CBTAU27.1 Fab, heavy chain of CBTAU-27.1 Fab | | Authors: | Zhu, X, Zhang, H, Wilson, I.A. | | Deposit date: | 2018-05-08 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
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7X3N
 | | Crystal structure of anti-mPEG h15-2b Fab | | Descriptor: | 15-2b-H, 15-2b-L, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL | | Authors: | Chang, C.Y, Nguyen, T.M.T, Toh, S.I, Su, Y.C. | | Deposit date: | 2022-03-01 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural determination of an antibody that specifically recognizes polyethylene glycol with a terminal methoxy group
Commun Chem, 5, 2022
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6DCW
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6GK8
 | | Crystal structure of anti-tau antibody dmCBTAU-28.1, double mutant (S32R, E35K) of CBTAU-28.1, in complex with Tau peptide A7731 (residues 52-71) | | Descriptor: | CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-28.1(S32R;E35K), TAU PEPTIDE A7731 (RESIDUES 52-71) | | Authors: | Steinbacher, S, Mrosek, M, Juraszek, J. | | Deposit date: | 2018-05-18 | | Release date: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
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6GK7
 | | Crystal structure of anti-tau antibody dmCBTAU-27.1, double mutant (S31Y, T100I) of CBTAU-27.1, in complex with Tau peptide A8119B (residues 299-318) | | Descriptor: | CHLORIDE ION, HUMAN FAB ANTIBODY FRAGMENT OF CBTAU-27.1(S31Y,T100I), HUMAN TAU PEPTIDE A8119 RESIDUES 299-318 | | Authors: | Steinbacher, S, Mrosek, M, Juraszek, J. | | Deposit date: | 2018-05-18 | | Release date: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
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5ZV3
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4Q9S
 | | Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | | Descriptor: | 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1 | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-05-01 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
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4RA4
 | | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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4RA5
 | | Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ... | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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