5LW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lw8 by Molmil](/molmil-images/mine/5lw8) | |
6WVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wvj by Molmil](/molmil-images/mine/6wvj) | Cryo-EM structure of Bacillus subtilis RNA Polymerase elongation complex | 分子名称: | DNA (5'-D(*TP*GP*TP*CP*GP*GP*GP*CP*GP*TP*CP*CP*GP*CP*GP*CP*GP*CP*C)-3'), DNA (5'-D(P*AP*CP*GP*CP*CP*CP*GP*AP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ... | 著者 | Newing, T, Tolun, G, Oakley, A.J. | 登録日 | 2020-05-06 | 公開日 | 2020-11-18 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | 主引用文献 | Molecular basis for RNA polymerase-dependent transcription complex recycling by the helicase-like motor protein HelD. Nat Commun, 11, 2020
|
|
8ARE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8are by Molmil](/molmil-images/mine/8are) | Crystal structure of the peptide binding protein, OppA, from Bacillus subtilis in complex with a PhrE-derived pentapeptide | 分子名称: | Oligopeptide-binding protein OppA, Phosphatase RapE inhibitor, SULFATE ION | 著者 | Hughes, A, Dodson, E.J, Wilkinson, A.J. | 登録日 | 2022-08-16 | 公開日 | 2023-02-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Peptide transport in Bacillus subtilis - structure and specificity in the extracellular solute binding proteins OppA and DppE. Microbiology (Reading, Engl.), 168, 2022
|
|
5LV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lv6 by Molmil](/molmil-images/mine/5lv6) | N-terminal motif dimerization of EGFR transmembrane domain in bicellar environment | 分子名称: | Epidermal growth factor receptor | 著者 | Bragin, P, Bocharov, E, Mineev, K, Bocharova, O, Arseniev, A. | 登録日 | 2016-09-12 | 公開日 | 2017-04-05 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | The Conformation of the Epidermal Growth Factor Receptor Transmembrane Domain Dimer Dynamically Adapts to the Local Membrane Environment. Biochemistry, 56, 2017
|
|
5M5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m5j by Molmil](/molmil-images/mine/5m5j) | Thioredoxin reductase from Giardia duodenalis | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, Thioredoxin reductase | 著者 | Fiorillo, A, Ilari, A, Lalle, M. | 登録日 | 2016-10-21 | 公開日 | 2017-05-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX. Eur J Med Chem, 135, 2017
|
|
6ZFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zfj by Molmil](/molmil-images/mine/6zfj) | |
4Z2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z2j by Molmil](/molmil-images/mine/4z2j) | Serratia marcescens Chitinase B complexed with macrolide inhibitor 31 | 分子名称: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate, Chitinase B, GLYCEROL, ... | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | 登録日 | 2015-03-30 | 公開日 | 2015-07-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
|
|
5M6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m6u by Molmil](/molmil-images/mine/5m6u) | HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | 分子名称: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | 登録日 | 2016-10-26 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
|
|
5JT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jt6 by Molmil](/molmil-images/mine/5jt6) | |
6GLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6glb by Molmil](/molmil-images/mine/6glb) | Crystal structure of JAK3 in complex with Compound 20 (FM484) | 分子名称: | 1,2-ETHANEDIOL, 1-phenylurea, 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile, ... | 著者 | Chaikuad, A, Forster, M, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Laufer, S.A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-05-23 | 公開日 | 2018-06-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development, Optimization, and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4- d]pyrrolo[2,3- b]pyridine Scaffold. J. Med. Chem., 61, 2018
|
|
8V5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v5y by Molmil](/molmil-images/mine/8v5y) | |
6ZJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zj9 by Molmil](/molmil-images/mine/6zj9) | Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione | 分子名称: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase | 著者 | Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P. | 登録日 | 2020-06-28 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants. Environ Pollut, 268, 2021
|
|
6TIG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tig by Molmil](/molmil-images/mine/6tig) | Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) antigen | 分子名称: | Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose | 著者 | Varrot, A, Bermeo, R. | 登録日 | 2019-11-22 | 公開日 | 2020-01-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information. Molecules, 25, 2020
|
|
5MC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mc8 by Molmil](/molmil-images/mine/5mc8) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal and alpha-1,2-mannobiose | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | 著者 | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2016-11-09 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase. J. Am. Chem. Soc., 139, 2017
|
|
8UMC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8umc by Molmil](/molmil-images/mine/8umc) | Deinococcus aerius TR0125 C-glucosyl deglycosidase (CGD), cryo-EM | 分子名称: | DUF6379 domain-containing protein, MANGANESE (II) ION, Xylose isomerase-like TIM barrel domain-containing protein | 著者 | Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C. | 登録日 | 2023-10-17 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius. J.Mol.Biol., 436, 2024
|
|
5MCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mcf by Molmil](/molmil-images/mine/5mcf) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 7.59 MGy | 分子名称: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | 著者 | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | 登録日 | 2016-11-09 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
|
|
6CHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cha by Molmil](/molmil-images/mine/6cha) | |
6WTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wtd by Molmil](/molmil-images/mine/6wtd) | Monomer yeast ATP synthase Fo reconstituted in nanodisc with inhibitor of Bedaquiline bound | 分子名称: | ATP synthase protein 8, ATP synthase subunit 4, mitochondrial, ... | 著者 | Mueller, D.M, Srivastava, A.P, Symersky, J, Luo, M, Liao, M.F. | 登録日 | 2020-05-02 | 公開日 | 2020-08-26 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Bedaquiline inhibits the yeast and human mitochondrial ATP synthases. Commun Biol, 3, 2020
|
|
8V8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v8n by Molmil](/molmil-images/mine/8v8n) | Switchgrass Chalcone Synthase C170S | 分子名称: | Chalcone synthase, GLYCEROL | 著者 | Lewis, J.A, Kang, C. | 登録日 | 2023-12-05 | 公開日 | 2024-05-29 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein. Int J Mol Sci, 25, 2024
|
|
8P07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p07 by Molmil](/molmil-images/mine/8p07) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 分子名称: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | 著者 | Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-05-09 | 公開日 | 2023-05-17 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 2024
|
|
6GQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gql by Molmil](/molmil-images/mine/6gql) | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35) | 分子名称: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | 著者 | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | 登録日 | 2018-06-07 | 公開日 | 2018-09-19 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
|
|
5K0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k0c by Molmil](/molmil-images/mine/5k0c) | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole | 分子名称: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | 登録日 | 2016-05-17 | 公開日 | 2016-09-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
|
|
5M9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m9n by Molmil](/molmil-images/mine/5m9n) | Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide | 分子名称: | 1,2-ETHANEDIOL, E2F peptide, N3, ... | 著者 | Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-11-01 | 公開日 | 2016-11-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically
dimethylated E2F peptide To Be Published
|
|
5K0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k0g by Molmil](/molmil-images/mine/5k0g) | Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, Catechol O-methyltransferase, ... | 著者 | Ehler, A, rodriguez-Sarmiento, R.M, Rudolph, M.G. | 登録日 | 2016-05-17 | 公開日 | 2016-09-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
|
|
6GQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gqp by Molmil](/molmil-images/mine/6gqp) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23) | 分子名称: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | 著者 | Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | 登録日 | 2018-06-07 | 公開日 | 2018-09-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
|
|