8DKV
 
 | | PPARg bound to JTP-426467 and Co-R peptide | | 分子名称: | 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1, ... | | 著者 | Larsen, N.A. | | 登録日 | 2022-07-06 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DKN
 | | PPARg bound to T0070907 and Co-R peptide | | 分子名称: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ... | | 著者 | Larsen, N.A, Tsai, J. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DPE
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8DSZ
 | | PPARg bound to partial agonist H3B-487 | | 分子名称: | (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Larsen, N.A. | | 登録日 | 2022-07-24 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DSY
 | | PPARg bound to inverse agonist H3B-343 | | 分子名称: | Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | | 著者 | Larsen, N.A. | | 登録日 | 2022-07-24 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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6N8G
 | | IRAK4 bound to benzoxazole compound | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide | | 著者 | Larsen, N.A, Bloudoff, K, Subramanian, V, Dobrzanska, M, Gluza, K. | | 登録日 | 2018-11-29 | | 公開日 | 2018-12-12 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | To be published
To Be Published
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6W2J
 | | CPS1 bound to allosteric inhibitor H3B-374 | | 分子名称: | (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], ... | | 著者 | Larsen, N.A, Nguyen, T.V. | | 登録日 | 2020-03-05 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1.
Acs Med.Chem.Lett., 11, 2020
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6CHZ
 | | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | | 著者 | Larsen, N.A. | | 登録日 | 2018-02-23 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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6CHW
 | | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | | 著者 | Larsen, N.A. | | 登録日 | 2018-02-23 | | 公開日 | 2018-03-21 | | 最終更新日 | 2020-02-26 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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6UEL
 | | CPS1 bound to allosteric inhibitor H3B-193 | | 分子名称: | Carbamoyl-phosphate synthase [ammonia], mitochondrial, N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide, ... | | 著者 | Larsen, N.A, Nguyen, T.V. | | 登録日 | 2019-09-21 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Cell Chem Biol, 27, 2020
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3U4U
 | | Casein kinase 2 in complex with AZ-Inhibitor | | 分子名称: | 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | | 著者 | Larsen, N.A, Dowling, J. | | 登録日 | 2011-10-10 | | 公開日 | 2012-08-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization.
ACS Med Chem Lett, 3, 2012
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3ULI
 | | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | | 分子名称: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | | 著者 | Larsen, N.A, Tucker, J.A, Wang, T. | | 登録日 | 2011-11-10 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases.
Bioorg.Med.Chem.Lett., 22, 2012
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5HZE
 | | Mek1 adopts DFG-out conformation when bound to an analog of E6201. | | 分子名称: | (3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION | | 著者 | Larsen, N.A, Bloudoff, K. | | 登録日 | 2016-02-02 | | 公開日 | 2017-05-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mek1 adopts DFG-out conformation when bound to an analog of E6201.
To Be Published
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2I3S
 | | Bub3 complex with Bub1 GLEBS motif | | 分子名称: | Cell cycle arrest protein, Checkpoint serine/threonine-protein kinase | | 著者 | Larsen, N.A, Harrison, S.C. | | 登録日 | 2006-08-20 | | 公開日 | 2007-01-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural analysis of Bub3 interactions in the mitotic spindle checkpoint.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2I3T
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6P68
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4E1K
 | | GlmU in complex with a Quinazoline Compound | | 分子名称: | Bifunctional protein GlmU, N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, SULFATE ION, ... | | 著者 | Larsen, N.A, Doig, P. | | 登録日 | 2012-03-06 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | An aminoquinazoline inhibitor of the essential bacterial cell wall synthetic enzyme GlmU has a unique non-protein-kinase-like binding mode.
Biochem.J., 446, 2012
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4GSY
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4GUB
 | | Casein Kinase II bound to Inhibitor | | 分子名称: | CHLORIDE ION, Casein kinase II subunit alpha, N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide | | 著者 | Larsen, N.A, Dowling, J.E. | | 登録日 | 2012-08-29 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Potent and selective inhibitors of CK2 kinase.
To be Published
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4GS6
 | | Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol | | 分子名称: | (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, 1,2-ETHANEDIOL, Tak1-Tab1 fusion protein | | 著者 | Larsen, N.A, Ferguson, A.D, Wu, J. | | 登録日 | 2012-08-27 | | 公開日 | 2013-01-23 | | 最終更新日 | 2017-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mechanism and In Vitro Pharmacology of TAK1 Inhibition by (5Z)-7-Oxozeaenol.
Acs Chem.Biol., 8, 2013
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4GRB
 | | Casein kinase 2 (CK2) bound to inhibitor | | 分子名称: | 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha | | 著者 | Larsen, N.A, Dowling, J.E, Ferguson, A.D. | | 登録日 | 2012-08-24 | | 公開日 | 2013-08-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo.
ACS Med Chem Lett, 4, 2013
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2ISJ
 | | BluB bound to oxidized FMN | | 分子名称: | BluB, FLAVIN MONONUCLEOTIDE | | 著者 | Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C. | | 登録日 | 2006-10-17 | | 公開日 | 2007-03-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
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2ISL
 | | BluB bound to reduced flavin (FMNH2) and molecular oxygen. (clear crystal form) | | 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, BluB, OXYGEN MOLECULE | | 著者 | Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C. | | 登録日 | 2006-10-17 | | 公開日 | 2007-03-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
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2ISK
 | | BluB bound to flavin anion (charge transfer complex) | | 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, BluB | | 著者 | Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C. | | 登録日 | 2006-10-17 | | 公開日 | 2007-03-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | BluB cannibalizes flavin to form the lower ligand of vitamin B12.
Nature, 446, 2007
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1I7Z
 | | ANTIBODY GNC92H2 BOUND TO LIGAND | | 分子名称: | CHIMERA OF IG GAMMA-1 CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, COCAINE | | 著者 | Larsen, N.A, Wilson, I.A. | | 登録日 | 2001-03-12 | | 公開日 | 2001-08-08 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a cocaine-binding antibody.
J.Mol.Biol., 311, 2001
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