4QR3
 
 | | Brd4 Bromodomain 1 complex with its novel inhibitors | | Descriptor: | Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide | | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.374 Å) | | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
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4QR4
 | | Brd4 Bromodomain 1 complex with its novel inhibitors | | Descriptor: | 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
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8G5U
 | | Crystal structure of TnmK2 complexed with TNM B | | Descriptor: | TnmK2, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate | | Authors: | Liu, Y.-C, Gui, C, Shen, B. | | Deposit date: | 2023-02-14 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
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8G5T
 | | Crystal structure of apo TnmK2 | | Descriptor: | TnmK2 | | Authors: | Liu, Y.-C, Gui, C, Shen, B. | | Deposit date: | 2023-02-14 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.846 Å) | | Cite: | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
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8G5S
 | | Crystal structure of apo TnmJ | | Descriptor: | TnmJ | | Authors: | Liu, Y.-C, Li, G, Gui, C, Shen, B. | | Deposit date: | 2023-02-14 | | Release date: | 2023-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
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3SKM
 | | Crystal structure of the HLA-B8FLRGRAYVL, mutant G8V of the FLR peptide | | Descriptor: | Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J. | | Deposit date: | 2011-06-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
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3SKO
 | | Crystal structure of the HLA-B8-A66-FLR, mutant A66 of the HLA B8 | | Descriptor: | Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J. | | Deposit date: | 2011-06-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
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3SJV
 | | Crystal structure of the RL42 TCR in complex with HLA-B8-FLR | | Descriptor: | Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J. | | Deposit date: | 2011-06-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
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3SKN
 | | Crystal structure of the RL42 TCR unliganded | | Descriptor: | RL42 T cell receptor, alpha chain, beta chain | | Authors: | Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J. | | Deposit date: | 2011-06-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
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5TUO
 | | Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor. | | Descriptor: | 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ... | | Authors: | Modak, J.K, Roujeinikova, A. | | Deposit date: | 2016-11-06 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
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5TT8
 | | Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with benzolamide | | Descriptor: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ... | | Authors: | Modak, J.K, Roujeinikova, A. | | Deposit date: | 2016-11-02 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
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5TT3
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5TV3
 | | Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with (E)-5-(((4-(tert-butyl)phenyl)sulfonyl)imino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide | | Descriptor: | (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ... | | Authors: | Modak, J.K, Roujeinikova, A. | | Deposit date: | 2016-11-07 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
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6CLX
 | | Crystal structure of TnmH in complex with SAM | | Descriptor: | O-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B. | | Deposit date: | 2018-03-02 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
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6CLW
 | | Crystal structure of TnmH | | Descriptor: | O-methyltransferase | | Authors: | Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B. | | Deposit date: | 2018-03-02 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
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6C9U
 | | Crystal structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase in complex with antibody fragment (Fab) | | Descriptor: | 6-deoxyerythronolide-B synthase EryA2, modules 3 and 4, Heavy chain of Fab 1B2, ... | | Authors: | Deis, L.N, Li, X, Mathews, I.I, Khosla, C. | | Deposit date: | 2018-01-28 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure-Function Analysis of the Extended Conformation of a Polyketide Synthase Module.
J. Am. Chem. Soc., 140, 2018
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6K80
 | | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Complex with CoA and Tryptophol | | Descriptor: | 2-(1H-indol-3-yl)ethanol, ACETYL COENZYME *A, Dopamine N-acetyltransferase | | Authors: | Wu, C.Y, Hu, I.C, Yang, Y.C, Cheng, H.C, Lyu, P.C. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase.
Commun Biol, 3, 2020
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4Q38
 | | The crystal structure of acyltransferase in complex with decanoyl-CoA and teicoplanin | | Descriptor: | 2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose, COENZYME A, Putative uncharacterized protein tcp24, ... | | Authors: | Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J. | | Deposit date: | 2014-04-11 | | Release date: | 2014-09-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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4Q36
 | | The crystal structure of acyltransferase in complex with octanoyl-CoA and teicoplanin | | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose, OCTANOYL-COENZYME A, Putative uncharacterized protein tcp24, ... | | Authors: | Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J. | | Deposit date: | 2014-04-11 | | Release date: | 2014-09-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
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6IGI
 | | Crystal structure of FT condition 2 | | Descriptor: | 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T | | Authors: | Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K. | | Deposit date: | 2018-09-25 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
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6IGH
 | | Crystal structure of FT condition3 | | Descriptor: | 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T | | Authors: | Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K. | | Deposit date: | 2018-09-25 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
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6IGG
 | | Crystal structure of FT condition 1 | | Descriptor: | 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T | | Authors: | Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K. | | Deposit date: | 2018-09-25 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
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6IGJ
 | | Crystal structure of FT condition 4 | | Descriptor: | MAGNESIUM ION, Protein FLOWERING LOCUS T | | Authors: | Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K. | | Deposit date: | 2018-09-25 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
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4RI1
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5XSM
 | | Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis | | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | | Deposit date: | 2017-06-14 | | Release date: | 2018-04-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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