1R8T
 
 | | Solution structures of high affinity miniprotein ligands to Streptavidin | | 分子名称: | MP1 | | 著者 | Luo, J, Mukherjee, M, Fan, X, Yang, H, Liu, D, Khan, R, White, M, Fox, R.O. | | 登録日 | 2003-10-28 | | 公開日 | 2005-02-15 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure-based design of high affinity miniprotein ligands
To be Published
|
|
4WKT
 | | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | | 分子名称: | 1-BUTANE BORONIC ACID, Acyl-homoserine lactone acylase PvdQ, GLYCEROL | | 著者 | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | | 登録日 | 2014-10-03 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.782 Å) | | 主引用文献 | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ.
Biochemistry, 53, 2014
|
|
5XYX
 | | The structure of p38 alpha in complex with a triazol inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine | | 著者 | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | 登録日 | 2017-07-11 | | 公開日 | 2018-01-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
|
|
5XYY
 | | The structure of p38 alpha in complex with a triazol inhibitor | | 分子名称: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | | 著者 | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | 登録日 | 2017-07-11 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
|
|
5XYZ
 | | The structure of human BTK kinase domain in complex with a covalent inhibitor | | 分子名称: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | | 著者 | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | | 登録日 | 2017-07-11 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
|
|
5W5R
 | | Agrobacterium tumefaciens ADP-glucose pyrophosphorylase P96A mutant bound to activator pyruvate | | 分子名称: | Glucose-1-phosphate adenylyltransferase, PYRUVIC ACID, SULFATE ION | | 著者 | Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D. | | 登録日 | 2017-06-15 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.754 Å) | | 主引用文献 | Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
|
|
5W5T
 | | Agrobacterium tumefaciens ADP-Glucose Pyrophosphorylase bound to activator ethyl pyruvate | | 分子名称: | GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION, ... | | 著者 | Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D. | | 登録日 | 2017-06-15 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
|
|
5W6J
 | | Agrobacterium tumefaciens ADP-glucose pyrophosphorylase | | 分子名称: | Glucose-1-phosphate adenylyltransferase, SULFATE ION | | 著者 | Mascarenhas, R.N, Hill, B.L, Wu, R, Ballicora, M.A, Liu, D. | | 登録日 | 2017-06-16 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
|
|
8EZ1
 | | Human Ornithine Aminotransferase (hOAT) co-crystallized with its inactivator 3-Amino-4-fluorocyclopentenecarboxylic Acid | | 分子名称: | (1R,3S,4Z)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid, (3E,4E)-4-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-3-iminocyclopent-1-ene-1-carboxylic acid, Ornithine aminotransferase, ... | | 著者 | Butrin, A, Shen, S, Silverman, R, Liu, D. | | 登録日 | 2022-10-30 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Structural and Mechanistic Basis for the Inactivation of Human Ornithine Aminotransferase by (3 S ,4 S )-3-Amino-4-fluorocyclopentenecarboxylic Acid.
Molecules, 28, 2023
|
|
6V99
 | | Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase- S72D in the presence of sulfate | | 分子名称: | Glucose-1-phosphate adenylyltransferase, SULFATE ION | | 著者 | Zheng, Y, Alghamdi, M.A, Ballicora, M.A, Liu, D. | | 登録日 | 2019-12-13 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.287 Å) | | 主引用文献 | Site-directed mutagenesis of Serine-72 reveals the location of the fructose 6-phosphate regulatory site of the Agrobacterium tumefaciens ADP-glucose pyrophosphorylase.
Protein Sci., 31, 2022
|
|
6V9A
 | | Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase-S72D | | 分子名称: | CITRIC ACID, GLYCEROL, Glucose-1-phosphate adenylyltransferase | | 著者 | Zheng, Y, Alghamdi, M.A, Ballicora, M.A, Liu, D. | | 登録日 | 2019-12-13 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Site-directed mutagenesis of Serine-72 reveals the location of the fructose 6-phosphate regulatory site of the Agrobacterium tumefaciens ADP-glucose pyrophosphorylase.
Protein Sci., 31, 2022
|
|
6VR0
 | | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A | | 分子名称: | GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION | | 著者 | Mascarenhas, R.N, Liu, D, Ballicora, M, Iglesias, A, Asencion, M, Figueroa, C. | | 登録日 | 2020-02-06 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Agrobacterium Tumefaciens ADP-glucose pyrophosphorylase W106A
To Be Published
|
|
1XTE
 | | crystal structure of CISK-PX domain | | 分子名称: | Serine/threonine-protein kinase Sgk3 | | 著者 | Xing, Y, Liu, D, Zhang, R, Joachimiak, A, Songyang, Z, Xu, W. | | 登録日 | 2004-10-21 | | 公開日 | 2004-11-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural basis of membrane targeting by the Phox homology domain of cytokine-independent survival kinase (CISK-PX)
J.Biol.Chem., 279, 2004
|
|
6V96
 | | Agrobacterium tumefaciens ADP-Glucose pyrophosphorylase-S72E | | 分子名称: | CITRIC ACID, GLYCEROL, Glucose-1-phosphate adenylyltransferase | | 著者 | Zheng, Y, Hussien, R, Alghamdi, M.A, Ballicora, M.A, Liu, D. | | 登録日 | 2019-12-13 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Site-directed mutagenesis of Serine-72 reveals the location of the fructose 6-phosphate regulatory site of the Agrobacterium tumefaciens ADP-glucose pyrophosphorylase.
Protein Sci., 31, 2022
|
|
1XTN
 | | crystal structure of CISK-PX domain with sulfates | | 分子名称: | SULFATE ION, Serine/threonine-protein kinase Sgk3 | | 著者 | Xing, Y, Liu, D, Zhang, R, Joachimiak, A, Songyang, Z, Xu, W. | | 登録日 | 2004-10-22 | | 公開日 | 2004-11-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis of membrane targeting by the Phox homology domain of cytokine-independent survival kinase (CISK-PX)
J.Biol.Chem., 279, 2004
|
|
3LQS
 | | Complex Structure of D-Amino Acid Aminotransferase and 4-amino-4,5-dihydro-thiophenecarboxylic acid (ADTA) | | 分子名称: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, ACETIC ACID, D-alanine aminotransferase | | 著者 | Lepore, B.W, Liu, D, Peng, Y, Fu, M, Yasuda, C, Manning, J.M, Silverman, R.B, Ringe, D. | | 登録日 | 2010-02-10 | | 公開日 | 2010-03-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Chiral discrimination among aminotransferases: inactivation by 4-amino-4,5-dihydrothiophenecarboxylic acid.
Biochemistry, 49, 2010
|
|
5BTR
 | | Crystal structure of SIRT1 in complex with resveratrol and an AMC-containing peptide | | 分子名称: | AMC-containing peptide, NAD-dependent protein deacetylase sirtuin-1, RESVERATROL, ... | | 著者 | Cao, D, Wang, M, Qiu, X, Liu, D, Jiang, H, Yang, N, Xu, R.M. | | 登録日 | 2015-06-03 | | 公開日 | 2015-07-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural basis for allosteric, substrate-dependent stimulation of SIRT1 activity by resveratrol
Genes Dev., 29, 2015
|
|
5BKM
 | | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) | | 分子名称: | Carboxylesterase A | | 著者 | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | 登録日 | 2021-03-20 | | 公開日 | 2022-03-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | | 主引用文献 | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine)
To Be Published
|
|
8F5W
 | | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine and NADPH Quasi-Anaerobically | | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | | 登録日 | 2022-11-15 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
|
|
8F6N
 | | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Thymine Quasi-Anaerobically | | 分子名称: | Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | | 登録日 | 2022-11-16 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
|
|
8F61
 | | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine Quasi-Anaerobically | | 分子名称: | (5S)-5-methyl-1,3-diazinane-2,4-dione, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], ... | | 著者 | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | | 登録日 | 2022-11-15 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
|
|
7TFP
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. | | 分子名称: | (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | 著者 | Butrin, A, Zhu, W, Silverman, R, Liu, D. | | 登録日 | 2022-01-06 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
|
|
7TEV
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate | | 分子名称: | (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | 著者 | Butrin, A, Zhu, W, Silverman, R, Liu, D. | | 登録日 | 2022-01-05 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
|
|
7TED
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (S,E)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate | | 分子名称: | (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | 著者 | Butrin, A, Zhu, W, Silverman, R, Liu, D. | | 登録日 | 2022-01-04 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
|
|
7TA0
 | | Human Ornithine Aminotransferase (hOAT) soaked with 5-aminovaleric acid | | 分子名称: | 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid, Ornithine aminotransferase, mitochondrial, ... | | 著者 | Butrin, A, Liu, D. | | 登録日 | 2021-12-20 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
|
|
