4M06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m06 by Molmil](/molmil-images/mine/4m06) | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F in Complex with Cyanide | 分子名称: | 1,2-ETHANEDIOL, CYANIDE ION, Chlorite dismutase, ... | 著者 | Hagmueller, A, Gysel, K, Djinovic-Carugo, K. | 登録日 | 2013-08-01 | 公開日 | 2014-01-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
|
|
4M08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m08 by Molmil](/molmil-images/mine/4m08) | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145V | 分子名称: | 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ... | 著者 | Gysel, K, Hagmueller, A, Djinovic-Carugo, K. | 登録日 | 2013-08-01 | 公開日 | 2014-01-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | 主引用文献 | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
|
|
4M07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m07 by Molmil](/molmil-images/mine/4m07) | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F | 分子名称: | 1,2-ETHANEDIOL, Chlorite dismutase, GLYCEROL, ... | 著者 | Hagmueller, A, Gysel, K, Djinovic-Carugo, K. | 登録日 | 2013-08-01 | 公開日 | 2014-01-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity. Biochemistry, 53, 2014
|
|
3HAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hae by Molmil](/molmil-images/mine/3hae) | Rational development of high-affinity T-cell receptor-like antibodies | 分子名称: | Antibody heavy chain, Antibody light chain, Beta-2-microglobulin, ... | 著者 | Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E. | 登録日 | 2009-05-01 | 公開日 | 2009-05-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Rational development of high-affinity T-cell receptor-like antibodies Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
7ZNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7znt by Molmil](/molmil-images/mine/7znt) | CRYSTAL STRUCTURE OF AT7 IN COMPLEX WITH THE SECOND BROMODOMAIN OF HUMAN BRD4 AND PVHL:ELONGINC:ELONGINB | 分子名称: | (2~{S},4~{R})-1-[(2~{R})-3-[6-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]hexylsulfanyl]-2-[(1-fluoranylcyclopropyl)carbonylamino]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | 著者 | Hughes, S.J, Casement, R, Ciulli, A. | 登録日 | 2022-04-22 | 公開日 | 2022-09-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders. Nat.Chem.Biol., 19, 2023
|
|
4U0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u0i by Molmil](/molmil-images/mine/4u0i) | Crystal structure of KIT in complex with ponatinib | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, PHOSPHATE ION | 著者 | Zhou, T, Zhu, X, Dalgarno, D.C. | 登録日 | 2014-07-11 | 公開日 | 2014-10-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Ponatinib Inhibits Polyclonal Drug-Resistant KIT Oncoproteins and Shows Therapeutic Potential in Heavily Pretreated Gastrointestinal Stromal Tumor (GIST) Patients. Clin.Cancer Res., 20, 2014
|
|
3OMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3omz by Molmil](/molmil-images/mine/3omz) | |
5J9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j9z by Molmil](/molmil-images/mine/5j9z) | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | 分子名称: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | 著者 | Becker, C, Engel, J, Rauh, D. | 登録日 | 2016-04-11 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
5J9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j9y by Molmil](/molmil-images/mine/5j9y) | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | 分子名称: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | 著者 | Becker, C, Engel, J, Rauh, D. | 登録日 | 2016-04-11 | 公開日 | 2016-08-17 | 最終更新日 | 2016-09-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
6HVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hvf by Molmil](/molmil-images/mine/6hvf) | Kinase domain of cSrc in complex with compound 29B | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | 著者 | Keul, M, Mueller, M.P, Rauh, D. | 登録日 | 2018-10-10 | 公開日 | 2019-10-23 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
|
|
6HVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hve by Molmil](/molmil-images/mine/6hve) | Kinase domain of cSrc in complex with compound 9 | 分子名称: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | 著者 | Keul, M, Mueller, M.P, Rauh, D. | 登録日 | 2018-10-10 | 公開日 | 2019-10-23 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
|
|
3TBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tbc by Molmil](/molmil-images/mine/3tbc) | Small laccase from Streptomyces viridosporus T7A; alternate crystal form complexed with acetovanillone. | 分子名称: | 1-(4-hydroxy-3-methoxyphenyl)ethanone, COPPER (II) ION, OXYGEN MOLECULE, ... | 著者 | Lukk, T, Majumdar, S, Gerlt, J.A, Nair, S.K. | 登録日 | 2011-08-05 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Roles of small laccases from Streptomyces in lignin degradation. Biochemistry, 53, 2014
|
|
3T9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t9w by Molmil](/molmil-images/mine/3t9w) | Small laccase from Amycolatopsis sp. ATCC 39116 | 分子名称: | COPPER (II) ION, HYDROGEN PEROXIDE, NICKEL (II) ION, ... | 著者 | Lukk, T, Majumdar, S, Gerlt, J.A, Nair, S.K. | 登録日 | 2011-08-03 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Roles of small laccases from Streptomyces in lignin degradation. Biochemistry, 53, 2014
|
|
3TA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ta4 by Molmil](/molmil-images/mine/3ta4) | Small laccase from Amycolatopsis sp. ATCC 39116 complexed with 1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-1,3-dihydroxypropane | 分子名称: | (1R,2S)-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol, COPPER (II) ION, small laccase, ... | 著者 | Lukk, T, Majumdar, S, Gerlt, J.A, Nair, S.K. | 登録日 | 2011-08-03 | 公開日 | 2012-09-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Roles of small laccases from Streptomyces in lignin degradation. Biochemistry, 53, 2014
|
|
3TAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tas by Molmil](/molmil-images/mine/3tas) | Small laccase from Streptomyces viridosporus T7A | 分子名称: | ACETATE ION, COPPER (II) ION, OXYGEN MOLECULE, ... | 著者 | Lukk, T, Majumdar, S, Gerlt, J.A, Nair, S.K. | 登録日 | 2011-08-04 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Roles of small laccases from Streptomyces in lignin degradation. Biochemistry, 53, 2014
|
|
3TBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tbb by Molmil](/molmil-images/mine/3tbb) | Small laccase from Streptomyces viridosporus T7A; alternate crystal form. | 分子名称: | COPPER (II) ION, OXYGEN MOLECULE, PHOSPHATE ION, ... | 著者 | Lukk, T, Majumdar, S, Gerlt, J.A, Nair, S.K. | 登録日 | 2011-08-05 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Roles of small laccases from Streptomyces in lignin degradation. Biochemistry, 53, 2014
|
|
6TFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tfz by Molmil](/molmil-images/mine/6tfz) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
|
|
1HYR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hyr by Molmil](/molmil-images/mine/1hyr) | |
6TFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tfv by Molmil](/molmil-images/mine/6tfv) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
|
|
6TG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tg1 by Molmil](/molmil-images/mine/6tg1) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SODIUM ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
|
|
6TFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tfu by Molmil](/molmil-images/mine/6tfu) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
|
|
6TG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tg0 by Molmil](/molmil-images/mine/6tg0) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a | 分子名称: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
|
|
6TFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tfw by Molmil](/molmil-images/mine/6tfw) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
|
|
6TFY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tfy by Molmil](/molmil-images/mine/6tfy) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide | 著者 | Niggenaber, J, Mueller, M.P, Rauh, D. | 登録日 | 2019-11-14 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
|
|
2JB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jb5 by Molmil](/molmil-images/mine/2jb5) | Fab fragment in complex with small molecule hapten, crystal form-1 | 分子名称: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM, FAB FRAGMENT MOR03268 HEAVY CHAIN, FAB FRAGMENT MOR03268 LIGHT CHAIN | 著者 | Hillig, R.C, Baesler, S, Malawski, G, Badock, V, Bahr, I, Schirner, M, Licha, K. | 登録日 | 2006-12-03 | 公開日 | 2008-01-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface J.Mol.Biol., 377, 2008
|
|