4JNK
| Lactate Dehydrogenase A in complex with inhibitor compound 22 | 分子名称: | (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2013-03-15 | 公開日 | 2013-05-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | 主引用文献 | Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 23, 2013
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4EDX
| Nerve Growth Factor in Complex with Fab from mouse mAb 911 | 分子名称: | Beta-nerve growth factor, heavy chain of Fab of murine anti-NGF, light chain of FAB of murine anti-NGF | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2012-03-27 | 公開日 | 2014-04-02 | 最終更新日 | 2014-08-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Generation of a high-fidelity antibody against nerve growth factor using library scanning mutagenesis and validation with structures of the initial and optimized Fab-antigen complexes. MAbs, 6
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4EDW
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4Q7Z
| Neutrophil serine protease 4 (PRSS57) with phe-phe-arg-chloromethylketone (FFR-cmk) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | 登録日 | 2014-04-25 | 公開日 | 2014-09-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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4Q80
| Neutrophil serine protease 4 (PRSS57) with val-leu-lys-chloromethylketone (VLK-cmk) | 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, D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide, ... | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | 登録日 | 2014-04-25 | 公開日 | 2014-09-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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4Q7Y
| Neutrophil serine protease 4 (PRSS57) apo form 2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Serine protease 57, ... | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | 登録日 | 2014-04-25 | 公開日 | 2014-09-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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4Q7X
| Neutrophil serine protease 4 (PRSS57) apo form 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Serine protease 57, ... | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | 登録日 | 2014-04-25 | 公開日 | 2014-09-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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4R68
| Lactate Dehydrogenase in complex with inhibitor compound 31 | 分子名称: | (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2014-08-22 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
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4R69
| Lactate Dehydrogenase in complex with inhibitor compound 13 | 分子名称: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2014-08-22 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
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4RLS
| Lactate Dehydrogenase in complex with inhibitor compound 47 | 分子名称: | (1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one, (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | 著者 | Eigenbrot, C, Ultsch, M.H. | 登録日 | 2014-10-17 | 公開日 | 2014-11-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
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4ZVV
| Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140 | 分子名称: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Li, Y, Chen, Z, Eigenbrot, C. | 登録日 | 2015-05-18 | 公開日 | 2016-05-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition. Nat.Chem.Biol., 12, 2016
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4GVJ
| Tyk2 (JH1) in complex with adenosine di-phosphate | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S. | 登録日 | 2012-08-30 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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4PRJ
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4PQN
| ITK kinase domain with compound GNE-9822 | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | McEwan, P.A, Barker, J.J, Eigenbrot, C. | 登録日 | 2014-03-03 | 公開日 | 2014-07-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J.Med.Chem., 57, 2014
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6XLO
| Crystal structure of bRaf in complex with inhibitor | 分子名称: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf | 著者 | Yin, J, Eigenbrot, C, Wang, W. | 登録日 | 2020-06-28 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | 主引用文献 | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. J.Med.Chem., 64, 2021
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5IXY
| Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | 分子名称: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Chen, Z, Eigenbrot, C. | 登録日 | 2016-03-23 | 公開日 | 2016-09-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
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5IXS
| Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | 分子名称: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | 著者 | Ultsch, M, Eigenbrot, C. | 登録日 | 2016-03-23 | 公開日 | 2016-09-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
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8EXL
| Crystal structure of PI3K-alpha in complex with taselisib | 分子名称: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXO
| Crystal structure of PI3K-alpha in complex with compound 19 | 分子名称: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXU
| Crystal structure of PI3K-alpha in complex with compound 30 | 分子名称: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXV
| Crystal structure of PI3K-alpha in complex with compound 32 | 分子名称: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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6XE4
| BTK Fluorocyclopropyl amide inhibitor, Compound 25 | 分子名称: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | 著者 | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | 登録日 | 2020-06-11 | 公開日 | 2020-07-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett., 11, 2020
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1YGC
| Short Factor VIIa with a small molecule inhibitor | 分子名称: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | 著者 | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | 登録日 | 2005-01-04 | 公開日 | 2005-01-18 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo. J.Biol.Chem., 280, 2005
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1QE6
| INTERLEUKIN-8 WITH AN ADDED DISULFIDE BETWEEN RESIDUES 5 AND 33 (L5C/H33C) | 分子名称: | INTERLEUKIN-8 VARIANT, SULFATE ION | 著者 | Gerber, N, Lowman, H, Artis, D.R, Eigenbrot, C. | 登録日 | 1999-07-13 | 公開日 | 2000-03-22 | 最終更新日 | 2018-01-31 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Receptor-binding conformation of the "ELR" motif of IL-8: X-ray structure of the L5C/H33C variant at 2.35 A resolution. Proteins, 38, 2000
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3K2U
| Crystal structure of HGFA in complex with the allosteric inhibitory antibody Fab40 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody, Fab fragment, ... | 著者 | Ganesan, R, Eigenbrot, C, Shia, S. | 登録日 | 2009-09-30 | 公開日 | 2009-12-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Unraveling the allosteric mechanism of serine protease inhibition by an antibody. Structure, 17, 2009
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