4RCD
 
 | | Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor | | 分子名称: | (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | 著者 | Whittington, D.A, Long, A.M. | | 登録日 | 2014-09-15 | | 公開日 | 2015-01-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Inhibitors of beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718).
J.Med.Chem., 57, 2014
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2I0G
 | | Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia | | 分子名称: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta | | 著者 | Wang, Y. | | 登録日 | 2006-08-10 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Benzopyrans are selective estrogen receptor Beta agonists with novel activity in models of benign prostatic hyperplasia.
J.Med.Chem., 49, 2006
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4XKX
 | | Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28 | | 分子名称: | (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | 著者 | Whittington, D.A, Long, A.M. | | 登録日 | 2015-01-12 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
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8Z5J
 | | Beta-catenin Crystal Structure | | 分子名称: | Catenin beta-1 | | 著者 | Tim, F. | | 登録日 | 2024-04-18 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 2024
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8Z61
 | | Human beta-catenin crystal structure | | 分子名称: | Catenin beta-1 | | 著者 | Tim, F. | | 登録日 | 2024-04-18 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 2024
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4WTU
 | | Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22 | | 分子名称: | (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | 著者 | Whittington, D.A, Long, A.M. | | 登録日 | 2014-10-30 | | 公開日 | 2015-03-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
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6IHU
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6IHV
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6IHR
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6IHS
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5XHS
 | | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | | 分子名称: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... | | 著者 | Yu, Y, Li, B, Chen, Q. | | 登録日 | 2017-04-24 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
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4DUS
 | | Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Sickmier, E.A. | | 登録日 | 2012-02-22 | | 公開日 | 2012-10-10 | | 最終更新日 | 2014-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
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4DH6
 | | Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide | | 分子名称: | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Sickmier, E.A. | | 登録日 | 2012-01-27 | | 公開日 | 2012-04-18 | | 最終更新日 | 2013-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.
J.Med.Chem., 55, 2012
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2PWX
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4LY9
 | | Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate | | 分子名称: | (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | 著者 | Jordan, S.R. | | 登録日 | 2013-07-30 | | 公開日 | 2013-11-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
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5H21
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8I0E
 | | Sb3GT1 complex with UDP | | 分子名称: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | 著者 | Wang, H.T, Wang, Z.L, Ye, M. | | 登録日 | 2023-01-10 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
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8HZZ
 | | GuApiGT (UGT79B74) | | 分子名称: | SULFATE ION, apiosyltransferase | | 著者 | Wang, H.T, Wang, Z.L, Li, F.D, Ye, M. | | 登録日 | 2023-01-10 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
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8I0D
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6HGY
 | | CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C | | 分子名称: | Cathepsin K, THALASSOSPIRAMIDE C | | 著者 | Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M. | | 登録日 | 2018-08-23 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action.
Org.Lett., 21, 2019
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4YCU
 | | Crystal structure of cladosporin in complex with human lysyl-tRNA synthetase | | 分子名称: | Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, GLYCEROL, LYSINE, ... | | 著者 | Fang, P, Wang, J, Guo, M. | | 登録日 | 2015-02-20 | | 公開日 | 2015-06-10 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis for Specific Inhibition of tRNA Synthetase by an ATP Competitive Inhibitor.
Chem. Biol., 22, 2015
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4YCV
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4YCW
 | | Crystal structure of cladosporin in complex with plasmodium like human lysyl-tRNA synthetase mutant | | 分子名称: | Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, LYSINE, Lysine--tRNA ligase, ... | | 著者 | Fang, P, Wang, J, Guo, M. | | 登録日 | 2015-02-20 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural Basis for Specific Inhibition of tRNA Synthetase by ATP Competitive Inhibitor
Chem.Biol., 22, 2015
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6IHT
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6IHL
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