3WV1
| Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid | 分子名称: | 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | 著者 | Oki, H, Tanaka, Y. | 登録日 | 2014-05-12 | 公開日 | 2015-05-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach J.Med.Chem., 57, 2014
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6UDA
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6L98
| Crystalline cast nephropathy-causing Bence-Jones protein AK: An entire immunoglobulin lambda light chain dimer | 分子名称: | Bence-Jones protein lambda light chain AK | 著者 | Nakagaki, T, Noguchi, K, Yohda, M, Odaka, M, Wakui, H, Matsumura, H. | 登録日 | 2019-11-08 | 公開日 | 2020-09-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Multiple Myeloma-Associated Ig Light Chain Crystalline Cast Nephropathy. Kidney Int Rep, 5, 2020
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6VG0
| CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056 | 分子名称: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine | 著者 | Padyana, A, Jin, L. | 登録日 | 2020-01-07 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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5U2M
| Crystal structure of human NAMPT with A-1293201 | 分子名称: | N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | 著者 | Longenecker, K.L, Raich, D, Korepanova, A.V. | 登録日 | 2016-11-30 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Mol. Cancer Ther., 16, 2017
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2E5U
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5U2N
| Crystal structure of human NAMPT with A-1326133 | 分子名称: | N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | 著者 | Longenecker, K.L, Raich, D, Korepanova, A.V. | 登録日 | 2016-11-30 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Mol. Cancer Ther., 16, 2017
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2E5Y
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2E5T
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6VEI
| Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | 著者 | Padyana, A, Jin, L. | 登録日 | 2020-01-02 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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6VFZ
| Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor. | 分子名称: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | 著者 | Padyana, A, Jin, L. | 登録日 | 2020-01-07 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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6N0Q
| BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | 分子名称: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-11-07 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J.Med.Chem., 63, 2020
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6N0P
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4ZM7
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5KX8
| Irak4-inhibitor co-structure | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide | 著者 | Fischmann, T.O. | 登録日 | 2016-07-20 | 公開日 | 2016-08-17 | 最終更新日 | 2016-08-24 | 実験手法 | X-RAY DIFFRACTION (2.671 Å) | 主引用文献 | Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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3UIX
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6A78
| Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the scFv fragment of murine monoclonal antibody B5209B | 分子名称: | Heavy chain and linker region of the anti-human Robo1 antibody B5209B scFv, Light chain region of the anti-human Robo1 antibody B5209B scFv, Roundabout homolog 1, ... | 著者 | Mizohata, E, Nakayama, T, Kado, Y, Inoue, T. | 登録日 | 2018-07-02 | 公開日 | 2019-01-30 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface. Structure, 27, 2019
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1TKX
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745 | 分子名称: | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE, Pol polyprotein, Reverse transcriptase, ... | 著者 | Ren, J, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | 登録日 | 2004-06-09 | 公開日 | 2004-12-07 | 最終更新日 | 2022-12-21 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2. J.Med.Chem., 47, 2004
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5B1L
| The mouse nucleosome structure containing H3t | 分子名称: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1, ... | 著者 | Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H. | 登録日 | 2015-12-08 | 公開日 | 2017-02-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis Cell Rep, 18, 2017
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1UAS
| Crystal structure of rice alpha-galactosidase | 分子名称: | GLYCEROL, PLATINUM (II) ION, SULFATE ION, ... | 著者 | Fujimoto, Z, Kaneko, S, Momma, M, Kobayashi, H, Mizuno, H. | 登録日 | 2003-03-18 | 公開日 | 2003-07-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of rice alpha-galactosidase complexed with D-galactose J.Biol.Chem., 278, 2003
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7TJ5
| SthK closed state, cAMP-bound in the presence of POPA | 分子名称: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ... | 著者 | Schmidpeter, P.A, Nimigean, C.M. | 登録日 | 2022-01-14 | 公開日 | 2022-10-26 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.41 Å) | 主引用文献 | Anionic lipids unlock the gates of select ion channels in the pacemaker family. Nat.Struct.Mol.Biol., 29, 2022
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7TKT
| SthK closed state, cAMP-bound in the presence of detergent | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ... | 著者 | Rheinberger, J, Schmidpeter, P.A, Nimigean, C.M. | 登録日 | 2022-01-17 | 公開日 | 2022-10-26 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Anionic lipids unlock the gates of select ion channels in the pacemaker family. Nat.Struct.Mol.Biol., 29, 2022
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7TJ6
| SthK open state, cAMP-bound in the presence of POPA | 分子名称: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ... | 著者 | Schmidpeter, P.A, Nimigean, C.M. | 登録日 | 2022-01-14 | 公開日 | 2022-10-26 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Anionic lipids unlock the gates of select ion channels in the pacemaker family. Nat.Struct.Mol.Biol., 29, 2022
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3TDC
| Crystal Structure of Human Acetyl-CoA carboxylase 2 | 分子名称: | 1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea, Acetyl-CoA carboxylase 2 variant | 著者 | Dougan, D.R, Mol, C.D. | 登録日 | 2011-08-10 | 公開日 | 2011-10-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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1TKT
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318 | 分子名称: | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | 登録日 | 2004-06-09 | 公開日 | 2004-12-07 | 最終更新日 | 2018-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1. J.Med.Chem., 47, 2004
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