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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4GSY
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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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5ZYA
 | | SF3b spliceosomal complex bound to E7107 | | 分子名称: | PHD finger-like domain-containing protein 5A, POTASSIUM ION, Splicing factor 3B subunit 1, ... | | 著者 | Finci, L.I, Larsen, N.A. | | 登録日 | 2018-05-23 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | | 主引用文献 | The cryo-EM structure of the SF3b spliceosome complex bound to a splicing modulator reveals a pre-mRNA substrate competitive mechanism of action
Genes Dev., 32, 2018
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7KIA
 | | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | | 分子名称: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | | 著者 | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | | 登録日 | 2020-10-23 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
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7KIE
 | | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3 | | 分子名称: | CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ... | | 著者 | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | | 登録日 | 2020-10-23 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
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5ECE
 | | Tankyrase 1 with Phthalazinone 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | | 著者 | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | | 登録日 | 2015-10-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
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1L7Q
 | | Ser117Ala Mutant of Bacterial Cocaine Esterase cocE | | 分子名称: | BENZOIC ACID, cocaine esterase | | 著者 | Turner, J.M, Larsen, N.A, Basran, A, Barbas III, C.F, Bruce, N.C, Wilson, I.A, Lerner, R.A. | | 登録日 | 2002-03-16 | | 公開日 | 2003-02-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Biochemical characterization and structural analysis of a highly proficient cocaine
esterase
Biochemistry, 41, 2002
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1L7R
 | | Tyr44Phe Mutant of Bacterial Cocaine Esterase cocE | | 分子名称: | cocaine esterase | | 著者 | Turner, J.M, Larsen, N.A, Basran, A, Barbas III, C.F, Bruce, N.C, Wilson, I.A, Lerner, R.A. | | 登録日 | 2002-03-16 | | 公開日 | 2003-02-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Biochemical characterization and structural analysis of a highly proficient cocaine
esterase.
Biochemistry, 41, 2002
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2OF3
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5JI0
 | | PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid | | 分子名称: | (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ... | | 著者 | Bloudoff, K, Larsen, N.A. | | 登録日 | 2016-04-21 | | 公開日 | 2017-04-26 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
To Be Published
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1LZL
 | | Bacterial Heroin Esterase | | 分子名称: | HEROIN ESTERASE | | 著者 | Zhu, X, Larsen, N.A, Basran, A, Bruce, N.C, Wilson, I.A. | | 登録日 | 2002-06-10 | | 公開日 | 2003-01-28 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | OBSERVATION OF AN ARSENIC ADDUCT IN AN ACETYL ESTERASE CRYSTAL STRUCTURE
J.Biol.Chem., 278, 2003
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1LZK
 | | BACTERIAL HEROIN ESTERASE COMPLEX WITH TRANSITION STATE ANALOG DIMETHYLARSENIC ACID | | 分子名称: | CACODYLATE ION, HEROIN ESTERASE | | 著者 | Zhu, X, Larsen, N.A, Basran, A, Bruce, N.C, Wilson, I.A. | | 登録日 | 2002-06-10 | | 公開日 | 2003-01-28 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | OBSERVATION OF AN ARSENIC ADDUCT IN AN ACETYL ESTERASE CRYSTAL STRUCTURE
J.Biol.Chem., 278, 2003
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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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6OWC
 | | Mutant estrogen receptor alpha (ERa) Y537S covalently bound to H3B-6545. | | 分子名称: | (2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide, 1,2-ETHANEDIOL, Estrogen receptor | | 著者 | Larsen, N.A. | | 登録日 | 2019-05-09 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mutant estrogen receptor alpha (ERa) Y537S covalently bound to H3B-6545.
To Be Published
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6P69
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8HK1
 | | The cryo-EM structure of human pre-17S U2 snRNP | | 分子名称: | ATP-dependent RNA helicase DDX42, HIV Tat-specific factor 1, PHD finger-like domain-containing protein 5A, ... | | 著者 | Zhang, X, Zhan, X, Shi, Y. | | 登録日 | 2022-11-24 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Mechanisms of the RNA helicases DDX42 and DDX46 in human U2 snRNP assembly.
Nat Commun, 14, 2023
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4HEJ
 | | Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK): Compund 16 | | 分子名称: | 5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione, Thymidylate kinase | | 著者 | Martinez-Botella, G, Breen, J, Duffy, J, Dumas, J, Geng, B, Gowers, I, Green, O, Guler, S, Hentemann, M, Hernandez-Juan, F, Joseph-McCarthy, D, Kawatkar, S, Larsen, N, Lazari, O, Loch, J, Macritchie, J. | | 登録日 | 2012-10-03 | | 公開日 | 2012-10-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012
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3S7F
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3S7D
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3S7B
 | | Structural Basis of Substrate Methylation and Inhibition of SMYD2 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ... | | 著者 | Ferguson, A.D. | | 登録日 | 2011-05-26 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
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