6SL8
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![BU of 6sl8 by Molmil](/molmil-images/mine/6sl8) | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its substrate L-2,4-diaminobutyric acid (DAB) | 分子名称: | 2,4-DIAMINOBUTYRIC ACID, GLYCEROL, L-2,4-diaminobutyric acid acetyltransferase, ... | 著者 | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | 登録日 | 2019-08-19 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine. J.Biol.Chem., 295, 2020
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6SK1
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![BU of 6sk1 by Molmil](/molmil-images/mine/6sk1) | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with coenzyme A | 分子名称: | ACETATE ION, COENZYME A, L-2,4-diaminobutyric acid acetyltransferase | 著者 | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | 登録日 | 2019-08-14 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine. J.Biol.Chem., 295, 2020
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6SLL
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![BU of 6sll by Molmil](/molmil-images/mine/6sll) | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its substrate L-2,4-diaminobutyric acid (DAB) and coenzyme A | 分子名称: | 2,4-DIAMINOBUTYRIC ACID, COENZYME A, L-2,4-diaminobutyric acid acetyltransferase, ... | 著者 | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | 登録日 | 2019-08-20 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine. J.Biol.Chem., 295, 2020
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6SJY
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![BU of 6sjy by Molmil](/molmil-images/mine/6sjy) | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with its product ADABA | 分子名称: | (2~{S})-4-acetamido-2-azanyl-butanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | 著者 | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | 登録日 | 2019-08-14 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine. J.Biol.Chem., 295, 2020
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6SLK
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![BU of 6slk by Molmil](/molmil-images/mine/6slk) | Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus | 分子名称: | L-2,4-diaminobutyric acid acetyltransferase, SODIUM ION, SULFATE ION | 著者 | Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J. | 登録日 | 2019-08-20 | 公開日 | 2020-01-29 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine. J.Biol.Chem., 295, 2020
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4DX0
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![BU of 4dx0 by Molmil](/molmil-images/mine/4dx0) | Structure of the 14-3-3/PMA2 complex stabilized by a pyrazole derivative | 分子名称: | 14-3-3-like protein E, 4-[(4R)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid, N.plumbaginifolia H+-translocating ATPase mRNA | 著者 | Richter, A, Rose, R, Hedberg, C, Waldmann, H, Ottmann, C. | 登録日 | 2012-02-27 | 公開日 | 2012-05-30 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | An Optimised Small-Molecule Stabiliser of the 14-3-3-PMA2 Protein-Protein Interaction. Chemistry, 18, 2012
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4O2P
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![BU of 4o2p by Molmil](/molmil-images/mine/4o2p) | Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine | 分子名称: | 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | 著者 | Richters, A, Rauh, D. | 登録日 | 2013-12-17 | 公開日 | 2015-03-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma. J.Med.Chem., 58, 2015
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4RVT
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![BU of 4rvt by Molmil](/molmil-images/mine/4rvt) | MAP4K4 in complex with a pyridin-2(1H)-one derivative | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4 | 著者 | Richters, A, Becker, C, Kleine, S, Rauh, D. | 登録日 | 2014-11-27 | 公開日 | 2015-05-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4. Angew.Chem.Int.Ed.Engl., 54, 2015
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4FIC
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![BU of 4fic by Molmil](/molmil-images/mine/4fic) | |
4L8M
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![BU of 4l8m by Molmil](/molmil-images/mine/4l8m) | Human p38 MAP kinase in complex with a Dibenzoxepinone | 分子名称: | Mitogen-activated protein kinase 14, N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide, octyl beta-D-glucopyranoside | 著者 | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | 登録日 | 2013-06-17 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Metabolically Stable Dibenzo[b,e]oxepin-11(6H)-ones as Highly Selective p38 MAP Kinase Inhibitors: Optimizing Anti-Cytokine Activity in Human Whole Blood. J.Med.Chem., 56, 2013
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3UVR
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![BU of 3uvr by Molmil](/molmil-images/mine/3uvr) | Human p38 MAP Kinase in Complex with KM064 | 分子名称: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | 登録日 | 2011-11-30 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 |
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5D12
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![BU of 5d12 by Molmil](/molmil-images/mine/5d12) | Kinase domain of cSrc in complex with RL40 | 分子名称: | N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Becker, C, Richters, A, Engel, J, Rauh, D. | 登録日 | 2015-08-03 | 公開日 | 2015-09-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. J.Med.Chem., 58, 2015
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3TZ7
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![BU of 3tz7 by Molmil](/molmil-images/mine/3tz7) | Kinase domain of cSrc in complex with RL103 | 分子名称: | N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide, 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 (3.3 Å) | 主引用文献 | Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design To be Published
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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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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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3UVQ
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![BU of 3uvq by Molmil](/molmil-images/mine/3uvq) | Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative | 分子名称: | Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside | 著者 | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | 登録日 | 2011-11-30 | 公開日 | 2012-12-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity. J.Med.Chem., 56, 2013
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3QUE
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![BU of 3que by Molmil](/molmil-images/mine/3que) | Human p38 MAP Kinase in Complex with Skepinone-L | 分子名称: | 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D. | 登録日 | 2011-02-23 | 公開日 | 2012-01-18 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor. Nat.Chem.Biol., 8, 2012
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3UVP
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![BU of 3uvp by Molmil](/molmil-images/mine/3uvp) | Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone | 分子名称: | Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside | 著者 | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | 登録日 | 2011-11-30 | 公開日 | 2012-11-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors. J.Med.Chem., 55, 2012
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