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
|
|
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
|
|
7LON
 | | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | | 分子名称: | (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | 著者 | Butrin, A, Zhu, W, Liu, D, Silverman, R. | | 登録日 | 2021-02-10 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
|
|
5BWN
 | |
5BWO
 | | Crystal Structure of Human SIRT3 in Complex with a Palmitoyl H3K9 Peptide | | 分子名称: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, PALMITIC ACID, ... | | 著者 | Gai, W, Jiang, H, Liu, D. | | 登録日 | 2015-06-08 | | 公開日 | 2016-07-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.376 Å) | | 主引用文献 | Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016
|
|
5BWL
 | |
4MGR
 | | The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT | | 分子名称: | ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ... | | 著者 | Wu, R, Edayathumangalam, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D. | | 登録日 | 2013-08-28 | | 公開日 | 2013-10-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4FM4
 | | Wild Type Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1 | | 分子名称: | FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit, ... | | 著者 | Kuhn, M.L, Martinez, S, Gumataotao, N, Bornscheuer, U, Liu, D, Holz, R.C. | | 登録日 | 2012-06-15 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.384 Å) | | 主引用文献 | The Fe-type nitrile hydratase from Comamonas testosteroni Ni1 does not require an activator accessory protein for expression in Escherichia coli.
Biochem.Biophys.Res.Commun., 424, 2012
|
|
7JH4
 | | Crystal structure of NAD(P)H-flavin oxidoreductase (NfoR) from S. aureus complexed with reduced FMN and NAD+ | | 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, NAD(P)H-dependent oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Zheng, Y, O'Neill, A.G, Beaupre, B.A, Liu, D, Moran, G.R. | | 登録日 | 2020-07-20 | | 公開日 | 2020-09-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | NfoR: Chromate Reductase or Flavin Mononucleotide Reductase?
Appl.Environ.Microbiol., 86, 2020
|
|
7JX9
 | | The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid. | | 分子名称: | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ... | | 著者 | Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D. | | 登録日 | 2020-08-26 | | 公開日 | 2021-01-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ).
Acs Chem.Biol., 16, 2021
|
|
7L5F
 | |
6B6G
 | | Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction | | 分子名称: | (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | | 著者 | Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D. | | 登録日 | 2017-10-02 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction.
J. Am. Chem. Soc., 140, 2018
|
|
5UCY
 | | Cryo-EM map of protofilament of microtubule doublet | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H. | | 登録日 | 2016-12-22 | | 公開日 | 2017-05-10 | | 最終更新日 | 2020-01-15 | | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | | 主引用文献 | Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
|
|
5UBQ
 | | Cryo-EM structure of ciliary microtubule doublet | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H. | | 登録日 | 2016-12-21 | | 公開日 | 2017-05-10 | | 最終更新日 | 2020-01-15 | | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | | 主引用文献 | Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
|
|
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
|
|
6BY7
 | | Folding DNA into a lipid-conjugated nano-barrel for controlled reconstitution of membrane proteins | | 分子名称: | DNA (26-MER), DNA (27-MER), DNA (29-MER), ... | | 著者 | Dong, Y, Chen, S, Zhang, S, Sodroski, J, Yang, Z, Liu, D, Mao, Y. | | 登録日 | 2017-12-20 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (7.5 Å) | | 主引用文献 | Folding DNA into a Lipid-Conjugated Nanobarrel for Controlled Reconstitution of Membrane Proteins.
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
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
|
|
2JQT
 | | Structure of the bacterial replication origin-associated protein Cnu | | 分子名称: | H-NS/stpA-binding protein 2 | | 著者 | Bae, S.H, Liu, D, Lim, H.M, Lee, Y, Choi, B.S. | | 登録日 | 2007-06-07 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the nucleoid-associated protein Cnu reveals common binding sites for H-NS in Cnu and Hha.
Biochemistry, 47, 2008
|
|
2GS4
 | | The crystal structure of the E.coli stress protein YciF. | | 分子名称: | Protein yciF | | 著者 | Hindupur, A, Liu, D, Zhao, Y, Bellamy, H.D, White, M.A, Fox, R.O. | | 登録日 | 2006-04-25 | | 公開日 | 2006-10-17 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The crystal structure of the E. coli stress protein YciF.
Protein Sci., 15, 2006
|
|
2K6B
 | |
2HR9
 | |
4M1J
 | | Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue | | 分子名称: | Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, GLYCEROL, ... | | 著者 | Wu, R, Clevenger, K, Er, J, Fast, W.L, Liu, D. | | 登録日 | 2013-08-02 | | 公開日 | 2013-08-28 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Rational Design of a Transition State Analogue with Picomolar Affinity for Pseudomonas aeruginosa PvdQ, a Siderophore Biosynthetic Enzyme.
Acs Chem.Biol., 8, 2013
|
|
6J8I
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 up) | | 分子名称: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Shen, H, Liu, D, Lei, J, Yan, N. | | 登録日 | 2019-01-19 | | 公開日 | 2019-02-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
|
|
