1XXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xxt by Molmil](/molmil-images/mine/1xxt) | The T-to-T High Transitions in Human Hemoglobin: wild-type deoxy Hb A (low salt, one test set) | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | 登録日 | 2004-11-08 | 公開日 | 2004-12-07 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
|
|
1Y22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y22 by Molmil](/molmil-images/mine/1y22) | |
1Y2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y2z by Molmil](/molmil-images/mine/1y2z) | |
1YE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ye1 by Molmil](/molmil-images/mine/1ye1) | T-To-T(High) quaternary transitions in human hemoglobin: betaY35A oxy (2MM IHP, 20% PEG) (1 test set) | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | 登録日 | 2004-12-27 | 公開日 | 2005-01-04 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
|
|
4UWY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uwy by Molmil](/molmil-images/mine/4uwy) | FGFR1 Apo structure | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FIBROBLAST GROWTH FACTOR RECEPTOR 1 | 著者 | Thiyagarajan, N, Bunney, T, Katan, M. | 登録日 | 2014-08-15 | 公開日 | 2015-02-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.305 Å) | 主引用文献 | The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study Ebiomedicine, 2, 2015
|
|
4NRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nrv by Molmil](/molmil-images/mine/4nrv) | Crystal Structure of non-edited human NEIL1 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endonuclease 8-like 1 | 著者 | Prakash, A, Doublie, S. | 登録日 | 2013-11-27 | 公開日 | 2014-01-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Genome and cancer single nucleotide polymorphisms of the human NEIL1 DNA glycosylase: Activity, structure, and the effect of editing. Dna Repair, 14, 2014
|
|
3MHK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mhk by Molmil](/molmil-images/mine/3mhk) | Human tankyrase 2 - catalytic PARP domain in complex with 2-(2-pyridyl)-7,8-dihydro-5h-thiino[4,3-d]pyrimidin-4-ol | 分子名称: | 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, Tankyrase-2, ... | 著者 | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-04-08 | 公開日 | 2010-05-05 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors Nat.Biotechnol., 30, 2012
|
|
2CA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ca6 by Molmil](/molmil-images/mine/2ca6) | |
3X1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x1v by Molmil](/molmil-images/mine/3x1v) | |
5L7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l7t by Molmil](/molmil-images/mine/5l7t) | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | 分子名称: | (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | 登録日 | 2016-06-03 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.983 Å) | 主引用文献 | First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
|
|
5L7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l7y by Molmil](/molmil-images/mine/5l7y) | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | 分子名称: | (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | 登録日 | 2016-06-04 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.912 Å) | 主引用文献 | First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
|
|
5L7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l7w by Molmil](/molmil-images/mine/5l7w) | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor. | 分子名称: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | 著者 | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | 登録日 | 2016-06-04 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
|
|
4PCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pce by Molmil](/molmil-images/mine/4pce) | Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 | 分子名称: | 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 | 著者 | Dong, J, Caflisch, A. | 登録日 | 2014-04-15 | 公開日 | 2014-05-07 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.293 Å) | 主引用文献 | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorg.Med.Chem.Lett., 24, 2014
|
|
6HPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hpv by Molmil](/molmil-images/mine/6hpv) | Crystal structure of mouse fetuin-B | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B | 著者 | Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L. | 登録日 | 2018-09-22 | 公開日 | 2019-02-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition. Iucrj, 6, 2019
|
|
4EAH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eah by Molmil](/molmil-images/mine/4eah) | Crystal structure of the formin homology 2 domain of FMNL3 bound to actin | 分子名称: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | 著者 | Thompson, M.E, Heimsath, E.G, Gauvin, T.J, Higgs, H.N, Kull, F.J. | 登録日 | 2012-03-22 | 公開日 | 2012-12-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | FMNL3 FH2-actin structure gives insight into formin-mediated actin nucleation and elongation. Nat.Struct.Mol.Biol., 20, 2013
|
|
4W5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w5s by Molmil](/molmil-images/mine/4w5s) | Tankyrase in complex with compound | 分子名称: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | 著者 | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | 登録日 | 2014-08-18 | 公開日 | 2015-05-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology. Acs Med.Chem.Lett., 6, 2015
|
|
4E46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e46 by Molmil](/molmil-images/mine/4e46) | Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA in complex with 2-propanol | 分子名称: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | 著者 | Stsiapanava, A, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. | 登録日 | 2012-03-12 | 公開日 | 2013-03-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Expansion of access tunnels and active-site cavities influence activity of haloalkane dehalogenases in organic cosolvents. Chembiochem, 14, 2013
|
|
1HEL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hel by Molmil](/molmil-images/mine/1hel) | |
1HEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1heo by Molmil](/molmil-images/mine/1heo) | |
1HEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1heq by Molmil](/molmil-images/mine/1heq) | |
1HEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hem by Molmil](/molmil-images/mine/1hem) | |
1HER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1her by Molmil](/molmil-images/mine/1her) | |
1HEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hen by Molmil](/molmil-images/mine/1hen) | |
1HEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hep by Molmil](/molmil-images/mine/1hep) | |
2RBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rbe by Molmil](/molmil-images/mine/2rbe) | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors | 分子名称: | (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhang, J, Jordan, S.R, Li, V. | 登録日 | 2007-09-18 | 公開日 | 2008-01-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|