5BVT
 
 | | Palmitate-bound pFABP5 | | 分子名称: | Epidermal fatty acid-binding protein, PALMITOLEIC ACID | | 著者 | Lee, J.H, Lee, C.W, Do, H. | | 登録日 | 2015-06-05 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin
Biochem.Biophys.Res.Commun., 465, 2015
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5BVS
 | | Linoleate-bound pFABP4 | | 分子名称: | Fatty acid-binding protein, LINOLEIC ACID | | 著者 | Lee, J.H, Lee, C.W, Do, H. | | 登録日 | 2015-06-05 | | 公開日 | 2015-08-05 | | 最終更新日 | 2015-09-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin
Biochem.Biophys.Res.Commun., 465, 2015
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6NO9
 | | PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) | | 分子名称: | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Murray, J.M, Noland, C. | | 登録日 | 2019-01-15 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.712 Å) | | 主引用文献 | Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma.
J. Med. Chem., 62, 2019
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7YQ8
 | | Cryo-EM structure of human topoisomerase II beta in complex with DNA and etoposide | | 分子名称: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, 50-mer DNA, DNA topoisomerase 2-beta, ... | | 著者 | Naganuma, M, Ehara, H, Kim, D, Nakagawa, R, Cong, A, Bu, H, Jeong, J, Jang, J, Schellenberg, M.J, Bunch, H, Sekine, S. | | 登録日 | 2022-08-05 | | 公開日 | 2024-01-03 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | ERK2-topoisomerase II regulatory axis is important for gene activation in immediate early genes.
Nat Commun, 14, 2023
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7MSA
 | | GDC-9545 in complex with estrogen receptor alpha | | 分子名称: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, Estrogen receptor | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F. | | 登録日 | 2021-05-10 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer.
J.Med.Chem., 64, 2021
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6PET
 | | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | | 分子名称: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | | 登録日 | 2019-06-20 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | | 主引用文献 | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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6PFM
 | | Crystal structure of GDC-0927 bound to estrogen receptor alpha | | 分子名称: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D. | | 登録日 | 2019-06-21 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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4R1N
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8QOG
 | | Cryo-EM structure of the yeast SPT-Orm2-Monomer complex | | 分子名称: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ORM2 isoform 1, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Schaefer, J, Koerner, C, Moeller, A, Froehlich, F. | | 登録日 | 2023-09-28 | | 公開日 | 2024-09-04 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | The structure of the Orm2-containing serine palmitoyltransferase complex reveals distinct inhibitory potentials of yeast Orm proteins.
Cell Rep, 43, 2024
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8QOF
 | | Cryo-EM structure of the yeast SPT-Orm2-Dimer complex | | 分子名称: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ORM2 isoform 1, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Schaefer, J, Koerner, C, Moeller, A, Froehlich, F. | | 登録日 | 2023-09-28 | | 公開日 | 2024-09-04 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | The structure of the Orm2-containing serine palmitoyltransferase complex reveals distinct inhibitory potentials of yeast Orm proteins.
Cell Rep, 43, 2024
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7C4X
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5DGZ
 | | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors | | 分子名称: | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | | 登録日 | 2015-08-29 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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5DHJ
 | | PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine) | | 分子名称: | 3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H. | | 登録日 | 2015-08-31 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.457 Å) | | 主引用文献 | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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5DIA
 | | PIM1 in complex with Cpd36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)cyclohexane-1,3-diamine) | | 分子名称: | (1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H. | | 登録日 | 2015-08-31 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.964 Å) | | 主引用文献 | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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6TGB
 | | CryoEM structure of the binary DOCK2-ELMO1 complex | | 分子名称: | Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1 | | 著者 | Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D. | | 登録日 | 2019-11-15 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (5.5 Å) | | 主引用文献 | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
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6TGC
 | | CryoEM structure of the ternary DOCK2-ELMO1-RAC1 complex. | | 分子名称: | Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1 | | 著者 | Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D. | | 登録日 | 2019-11-15 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
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1AG0
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1IA3
 | | Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW995) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | | 登録日 | 2001-03-22 | | 公開日 | 2001-04-11 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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1IA4
 | | Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOLINEDIAMIN (GW2021) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | | 登録日 | 2001-03-22 | | 公開日 | 2001-04-11 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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1IA1
 | | Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997) | | 分子名称: | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | | 登録日 | 2001-03-22 | | 公開日 | 2001-04-11 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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1IA2
 | | Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | | 登録日 | 2001-03-22 | | 公開日 | 2001-04-11 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor
J.Med.Chem., 44, 2001
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4N5M
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4N5L
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4N5N
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1M78
 | | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225) | | 分子名称: | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | | 登録日 | 2002-07-19 | | 公開日 | 2003-03-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex.
J.Biol.Chem., 272, 1997
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