5X26
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![BU of 5x26 by Molmil](/molmil-images/mine/5x26) | Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3) | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine | 著者 | Yun, C.H. | 登録日 | 2017-01-31 | 公開日 | 2018-02-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.951 Å) | 主引用文献 | Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
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5X02
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![BU of 5x02 by Molmil](/molmil-images/mine/5x02) | Crystal structure of the FLT3 kinase domain bound to the inhibitor FF-10101 | 分子名称: | N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide, Receptor-type tyrosine-protein kinase FLT3, SULFATE ION | 著者 | Fujikawa, N, Hirano, D, Takasaki, M, Terada, D, Hagiwara, S, Park, S.-Y, Sugiyama, K. | 登録日 | 2017-01-19 | 公開日 | 2018-01-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | A novel irreversible FLT3 inhibitor, FF-10101, shows excellent efficacy against AML cells withFLT3mutations. Blood, 131, 2018
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5X2K
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![BU of 5x2k by Molmil](/molmil-images/mine/5x2k) | |
5XGM
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![BU of 5xgm by Molmil](/molmil-images/mine/5xgm) | Crystal structure of EGFR 696-1022 T790M in complex with Go6976 | 分子名称: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, Epidermal growth factor receptor | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2017-04-14 | 公開日 | 2017-10-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | 主引用文献 | Structural pharmacological studies on EGFR T790M/C797S. Biochem. Biophys. Res. Commun., 488, 2017
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6L8L
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![BU of 6l8l by Molmil](/molmil-images/mine/6l8l) | C-Src in complex with ibrutinib | 分子名称: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | 著者 | Guo, M, Dai, S, Chen, L, Chen, Y. | 登録日 | 2019-11-06 | 公開日 | 2020-11-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.888 Å) | 主引用文献 | Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases. Bioorg.Med.Chem.Lett., 34, 2020
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5XFJ
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![BU of 5xfj by Molmil](/molmil-images/mine/5xfj) | |
5XP5
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![BU of 5xp5 by Molmil](/molmil-images/mine/5xp5) | C-Src in complex with ATP-Chf | 分子名称: | MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid | 著者 | Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y. | 登録日 | 2017-06-01 | 公開日 | 2018-02-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases. J. Am. Chem. Soc., 139, 2017
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6KZD
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![BU of 6kzd by Molmil](/molmil-images/mine/6kzd) | Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide | 分子名称: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION | 著者 | Wang, Y, Zhang, Z.M. | 登録日 | 2019-09-23 | 公開日 | 2019-10-09 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.708 Å) | 主引用文献 | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors. Eur.J.Med.Chem., 179, 2019
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6LUB
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![BU of 6lub by Molmil](/molmil-images/mine/6lub) | Crystal Structure of EGFR(L858R/T790M/C797S) in complex with CH7233163 | 分子名称: | Epidermal growth factor receptor, N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine | 著者 | Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H. | 登録日 | 2020-01-27 | 公開日 | 2020-10-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.315 Å) | 主引用文献 | CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation. Mol.Cancer Ther., 19, 2020
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6LVL
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![BU of 6lvl by Molmil](/molmil-images/mine/6lvl) | Crystal structure of FGFR2 in complex with 1,3,5-triazine derivative | 分子名称: | Fibroblast growth factor receptor 2, N-ethyl-2-[[4-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulfonamide, SULFATE ION | 著者 | Echizen, Y, Tateishi, Y, Amano, Y. | 登録日 | 2020-02-04 | 公開日 | 2020-04-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Structure-based drug design of 1,3,5-triazine and pyrimidine derivatives as novel FGFR3 inhibitors with high selectivity over VEGFR2. Bioorg.Med.Chem., 28, 2020
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6LK5
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![BU of 6lk5 by Molmil](/molmil-images/mine/6lk5) | MLKL mutant - T357ES358D | 分子名称: | Mixed lineage kinase domain-like protein | 著者 | Wang, H.Y, Li, S, Zhang, Y. | 登録日 | 2019-12-18 | 公開日 | 2020-12-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling. Cell Death Dis, 12, 2021
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8WSW
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![BU of 8wsw by Molmil](/molmil-images/mine/8wsw) | The Crystal Structure of LIMK2a from Biortus | 分子名称: | 1,2-ETHANEDIOL, LIM domain kinase 2, ~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | 登録日 | 2023-10-17 | 公開日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Crystal Structure of LIMK2a from Biortus. To Be Published
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8WTF
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![BU of 8wtf by Molmil](/molmil-images/mine/8wtf) | The Crystal Structure of IRAK4 from Biortus | 分子名称: | 1,2-ETHANEDIOL, 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4, ... | 著者 | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | 登録日 | 2023-10-18 | 公開日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Crystal Structure of IRAK4 from Biortus To Be Published
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8WD4
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![BU of 8wd4 by Molmil](/molmil-images/mine/8wd4) | EGFR(L858R/T790/C797S) in complex with compound 5j | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide | 著者 | Nishikawa, Y. | 登録日 | 2023-09-14 | 公開日 | 2023-12-20 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation. Bioorg.Med.Chem.Lett., 98, 2023
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8X5K
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![BU of 8x5k by Molmil](/molmil-images/mine/8x5k) | The Crystal Structure of SYK from Biortus. | 分子名称: | 1,2-ETHANEDIOL, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase SYK | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z. | 登録日 | 2023-11-17 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The Crystal Structure of SYK from Biortus. To Be Published
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8X2A
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![BU of 8x2a by Molmil](/molmil-images/mine/8x2a) | The Crystal Structure of BMX from Biortus. | 分子名称: | 1,2-ETHANEDIOL, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, CHLORIDE ION, ... | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | 登録日 | 2023-11-09 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The Crystal Structure of BMX from Biortus. To Be Published
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5FM2
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![BU of 5fm2 by Molmil](/molmil-images/mine/5fm2) | Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | 分子名称: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | 著者 | Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q. | 登録日 | 2015-10-30 | 公開日 | 2016-12-28 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements. Cell Rep, 17, 2016
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3TZ9
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![BU of 3tz9 by Molmil](/molmil-images/mine/3tz9) | Kinase domain of cSrc in complex with RL130 | 分子名称: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | 著者 | Gruetter, C, Richters, A, Rauh, D. | 登録日 | 2011-09-27 | 公開日 | 2012-10-10 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design To be Published
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5FD2
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![BU of 5fd2 by Molmil](/molmil-images/mine/5fd2) | |
5FM3
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![BU of 5fm3 by Molmil](/molmil-images/mine/5fm3) | Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | 分子名称: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | 著者 | Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q. | 登録日 | 2015-10-30 | 公開日 | 2016-12-28 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements. Cell Rep, 17, 2016
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3TZ8
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![BU of 3tz8 by Molmil](/molmil-images/mine/3tz8) | Kinase domain of cSrc in complex with RL104 | 分子名称: | N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Gruetter, C, Richters, A, Rauh, D. | 登録日 | 2011-09-27 | 公開日 | 2012-10-10 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design To be Published
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3TUC
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![BU of 3tuc by Molmil](/molmil-images/mine/3tuc) | Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide | 分子名称: | 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase SYK | 著者 | Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A. | 登録日 | 2011-09-16 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Type-II Inhibitors Using Kinase Structures. Chem.Biol.Drug Des., 80, 2012
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5FED
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![BU of 5fed by Molmil](/molmil-images/mine/5fed) | EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. | 分子名称: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-16 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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5FDP
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![BU of 5fdp by Molmil](/molmil-images/mine/5fdp) | Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution. | 分子名称: | (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-16 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors. J.Med.Chem., 59, 2016
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5FDX
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![BU of 5fdx by Molmil](/molmil-images/mine/5fdx) | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution. | 分子名称: | 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-16 | 公開日 | 2016-10-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution. To Be Published
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