7WQS
 
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25 | | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
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7WQM
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24 | | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | | Deposit date: | 2022-01-25 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
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7WQR
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28 | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | | Deposit date: | 2022-01-25 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.124 Å) | | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
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4DKT
 | | Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Protein-arginine deiminase type-4, ... | | Authors: | Jones, J.E, Slack, J.L, Fang, P, Zhang, X, Subramanian, V, Causey, C.P, Coonrod, S.A, Guo, M, Thompson, P.R. | | Deposit date: | 2012-02-04 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors.
Acs Chem.Biol., 7, 2012
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7F09
 | | Crystal structure of the HLH-Lz domain of human TFE3 | | Descriptor: | 1,2-ETHANEDIOL, Transcription factor E3, ZINC ION | | Authors: | Yang, G, Li, P, Liu, Z, Wu, S, Zhuang, C, Qiao, H, Fang, P, Wang, J. | | Deposit date: | 2021-06-03 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the dimerization mechanism of human transcription factor E3.
Biochem.Biophys.Res.Commun., 569, 2021
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7F6W
 | | Crystal structure of Saccharomyces cerevisiae lysyl-tRNA Synthetase | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Lysine--tRNA ligase | | Authors: | Wu, S, Li, P, Hei, Z, Zheng, L, Wang, J, Fang, P. | | Deposit date: | 2021-06-26 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.607 Å) | | Cite: | Human lysyl-tRNA synthetase evolves a dynamic structure that can be stabilized by forming complex.
Cell.Mol.Life Sci., 79, 2022
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7YDF
 | | Crystal structure of human SARS2 catalytic domain | | Descriptor: | Serine--tRNA ligase, mitochondrial | | Authors: | Wu, S, Li, P, Zhou, X.L, Fang, P. | | Deposit date: | 2022-07-04 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
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7YDG
 | | Crystal structure of human SARS2 catalytic domain with a disease related mutation | | Descriptor: | Serine--tRNA ligase, mitochondrial | | Authors: | Wu, S, Li, P, Zhou, X.L, Fang, P. | | Deposit date: | 2022-07-04 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
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4N22
 | | Crystal structure of Protein Arginine Deiminase 2 (50 uM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.889 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4N2I
 | | Crystal structure of Protein Arginine Deiminase 2 (D177A, 10 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4N2D
 | | Crystal structure of Protein Arginine Deiminase 2 (D123N, 0 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4N26
 | | Crystal structure of Protein Arginine Deiminase 2 (500 uM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.943 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4N2L
 | | Crystal structure of Protein Arginine Deiminase 2 (Q350A, 10 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-05 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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2JZY
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6ILH
 | | Crystal Structure of human lysyl-tRNA synthetase L350H mutant | | Descriptor: | 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, Lysine-tRNA ligase | | Authors: | Hei, Z, Liu, Z, Wang, J, Fang, P. | | Deposit date: | 2018-10-18 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Retractile lysyl-tRNA synthetase-AIMP2 assembly in the human multi-aminoacyl-tRNA synthetase complex.
J. Biol. Chem., 294, 2019
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6J5S
 | | Crystal structure of human HINT1 mutant complexing with AP5A | | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-11 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6J53
 | | Crystal structure of human HINT1 complexing with ATP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-10 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6J58
 | | Crystal structure of human HINT1 complexing with AP4A | | Descriptor: | ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-10 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6J64
 | | Crystal structure of human HINT1 mutant complexing with AP4A | | Descriptor: | 2-AMINOETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-14 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6J5Z
 | | Crystal structure of human HINT1 mutant complexing with AP3A | | Descriptor: | ADENOSINE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-12 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6J65
 | | Crystal structure of human HINT1 mutant complexing with AP4A II | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-14 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6ILD
 | | Crystal Structure of Human LysRS: P38/AIMP2 Complex II | | Descriptor: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, GLYCEROL, ... | | Authors: | Hei, Z, Liu, Z, Wang, J, Fang, P. | | Deposit date: | 2018-10-17 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Retractile lysyl-tRNA synthetase-AIMP2 assembly in the human multi-aminoacyl-tRNA synthetase complex.
J. Biol. Chem., 294, 2019
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6KAB
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6KCN
 | | Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 4 | | Descriptor: | 3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one, GLYCEROL, LYSINE, ... | | Authors: | Zhou, J, Fang, P. | | Deposit date: | 2019-06-28 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
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6KA6
 | | Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 1 | | Descriptor: | (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, GLYCEROL, LYSINE, ... | | Authors: | Zhou, J, Fang, P. | | Deposit date: | 2019-06-21 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.891 Å) | | Cite: | Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
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