5ENK
 
 | | Compound 18 | | 分子名称: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | | 著者 | Lewis, H.A. | | 登録日 | 2015-11-09 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
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4R6S
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6JQS
 | | Structure of Transcription factor, GerE | | 分子名称: | DNA-binding response regulator | | 著者 | Lee, J.H, Lee, C.W. | | 登録日 | 2019-04-01 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Crystal structure of a transcription factor, GerE (PaGerE), from spore-forming bacterium Paenisporosarcina sp. TG-14.
Biochem.Biophys.Res.Commun., 513, 2019
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4R2U
 | | Crystal Structure of PPARgamma in complex with SR1664 | | 分子名称: | 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Marciano, D.P, Kamenecka, T, Griffin, P.R, Bruning, J.B. | | 登録日 | 2014-08-13 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
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4M7X
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | 著者 | Mottaghi, K, Hong, B, Tempel, W, Park, H. | | 登録日 | 2013-08-12 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
ACS Infect Dis, 2, 2016
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5ELZ
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | 著者 | Mottaghi, K, Hughes, S.J, Tempel, W, Hong, B, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-11-05 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
Acs Infect Dis., 2, 2016
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4M7Y
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ... | | 著者 | Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2013-08-12 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
ACS Infect Dis, 2, 2016
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3C6G
 | | Crystal structure of CYP2R1 in complex with vitamin D3 | | 分子名称: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | | 著者 | Strushkevich, N.V, Min, J, Loppnau, P, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Plotnikov, A.N, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2008-02-04 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural analysis of CYP2R1 in complex with vitamin D3.
J.Mol.Biol., 380, 2008
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5B89
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5B7U
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5B7S
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5B87
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6L8P
 | | Crystal structure of RidA from Antarctic bacterium Psychrobacter sp. PAMC 21119 | | 分子名称: | MALONATE ION, RidA family protein | | 著者 | Kwon, S, Lee, C.W, Koh, H.Y, Lee, J.H, Park, H.H. | | 登録日 | 2019-11-06 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Crystal structure of the reactive intermediate/imine deaminase A homolog from the Antarctic bacterium Psychrobacter sp. PAMC 21119.
Biochem.Biophys.Res.Commun., 522, 2020
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6JZL
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3RJM
 | | CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c | | 分子名称: | Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO | | 著者 | Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S. | | 登録日 | 2011-04-15 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors.
Bioorg.Med.Chem., 19, 2011
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6LVP
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6LVO
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7TTD
 | | Tubulin-RB3_SLD in complex with compound 12e | | 分子名称: | 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2022-02-01 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
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7TTF
 | | Tubulin-RB3_SLD in complex with compound 12k | | 分子名称: | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2022-02-01 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
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7TTE
 | | Tubulin-RB3_SLD in complex with compound 12j | | 分子名称: | 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2022-02-01 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
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7WBN
 | | PDB structure of RevCC | | 分子名称: | RevCC | | 著者 | Han, S, Kim, D, Kaur, M, Lim, Y.B, Barnwal, R.P. | | 登録日 | 2021-12-17 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Pseudo-Isolated alpha-Helix Platform for the Recognition of Deep and Narrow Targets.
J.Am.Chem.Soc., 144, 2022
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2DCI
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5H4V
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2O71
 | | Crystal structure of RAIDD DD | | 分子名称: | Death domain-containing protein CRADD | | 著者 | Wu, H, Park, H. | | 登録日 | 2006-12-09 | | 公開日 | 2007-01-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of RAIDD Death Domain Implicates Potential Mechanism of PIDDosome Assembly
J.Mol.Biol., 357, 2006
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5HMO
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