7JWD
 
 | | Cellular retinol-binding protein 2 (CRBP2) in complex with 2-linoleoylglycerol | | 分子名称: | 1,3-dihydroxypropan-2-yl (9Z,12Z)-octadeca-9,12-dienoate, Retinol-binding protein 2 | | 著者 | Silvaroli, J.A, Banarjee, S, Golczak, M. | | 登録日 | 2020-08-25 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.35000193 Å) | | 主引用文献 | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
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7JVY
 | | Cellular retinol-binding protein 2 (CRBP2) in complex with 2-arachidonylglyceryl ether | | 分子名称: | 2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]oxy}propane-1,3-diol, Retinol-binding protein 2 | | 著者 | Silvaroli, J.A, Banarjee, S, Golczak, M. | | 登録日 | 2020-08-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
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7K3I
 | | Cellular retinol-binding protein 2 (CRBP2) in complex with 2-lauroylglycerol | | 分子名称: | 1,3-dihydroxypropan-2-yl dodecanoate, Retinol-binding protein 2 | | 著者 | Adams, C, Silvaroli, J.A, Banarjee, S, Golczak, M. | | 登録日 | 2020-09-11 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
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7JZ5
 | | Cellular retinol-binding protein 2 (CRBP2) in complex with 1-arachodonoyl-1-thio-glycerol | | 分子名称: | Retinol-binding protein 2, S-[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | | 著者 | Silvaroli, J.A, Banarjee, S, Golczak, M. | | 登録日 | 2020-09-01 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.567 Å) | | 主引用文献 | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands.
J.Lipid Res., 62, 2021
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3CAW
 | | Crystal structure of o-succinylbenzoate synthase from Bdellovibrio bacteriovorus liganded with Mg | | 分子名称: | MAGNESIUM ION, o-succinylbenzoate synthase | | 著者 | Fedorov, A.A, Fedorov, E.V, Sakai, A, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2008-02-20 | | 公開日 | 2008-03-04 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3ECP
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3EIO
 | | Crystal Structure Analysis of DPPIV Inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid, ... | | 著者 | Ahn, J.H, Lee, J.-O. | | 登録日 | 2008-09-17 | | 公開日 | 2008-11-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis and biological evaluation of homopiperazine derivatives with beta-aminoacyl group as dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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3FX7
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7T4J
 | | Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788 | | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ... | | 著者 | Skene, R.J, Lane, W, Hu, Y. | | 登録日 | 2021-12-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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7T4I
 | | Crystal Structure of wild type EGFR in complex with TAK-788 | | 分子名称: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | 著者 | Skene, R.J, Lane, W. | | 登録日 | 2021-12-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
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7TTV
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2BAJ
 | | p38alpha bound to pyrazolourea | | 分子名称: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14 | | 著者 | Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H. | | 登録日 | 2005-10-14 | | 公開日 | 2005-12-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
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2BAQ
 | | p38alpha bound to Ro3201195 | | 分子名称: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | | 著者 | Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A. | | 登録日 | 2005-10-14 | | 公開日 | 2005-12-06 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
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7UAK
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2BAL
 | | p38alpha MAP kinase bound to pyrazoloamine | | 分子名称: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | | 著者 | Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J. | | 登録日 | 2005-10-14 | | 公開日 | 2005-12-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
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2BAK
 | | p38alpha MAP kinase bound to MPAQ | | 分子名称: | Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | | 著者 | Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H. | | 登録日 | 2005-10-14 | | 公開日 | 2005-12-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
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2FH9
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8SKP
 | | X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia in complex with 1-hydroxypyridine-2(1H)-thione-6-carboxylic acid | | 分子名称: | 1,2-ETHANEDIOL, 1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid, Metallo-beta-lactamase type 2, ... | | 著者 | Thoden, J.B, Holden, H.M. | | 登録日 | 2023-04-20 | | 公開日 | 2023-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
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8SK2
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8SKO
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4YWZ
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2LJ2
 | | Integral membrane core domain of the mercury transporter MerF in lipid bilayer membranes | | 分子名称: | MerF | | 著者 | Das, B.B, Nothnagel, H.J, Lu, G.J, Son, W, Park, S, Tian, Y.B, Marassi, F.M, Opella, S.J. | | 登録日 | 2011-09-03 | | 公開日 | 2012-01-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | Structure determination of a membrane protein in proteoliposomes.
J.Am.Chem.Soc., 134, 2012
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8ERA
 | | RMC-5552 in complex with mTORC1 and FKBP12 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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8ER6
 | | FKBP12-FRB in Complex with Compound 11 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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8ER7
 | | FKBP12-FRB in Complex with Compound 12 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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