5MIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mit by Molmil](/molmil-images/mine/5mit) | Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (240 min) | 分子名称: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P. | 登録日 | 2016-11-29 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage. Sci Rep, 7, 2017
|
|
5MIP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mip by Molmil](/molmil-images/mine/5mip) | Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (30 min) | 分子名称: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P. | 登録日 | 2016-11-29 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage. Sci Rep, 7, 2017
|
|
6DL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dl7 by Molmil](/molmil-images/mine/6dl7) | Human mitochondrial ClpP in complex with ONC201 (TIC10) | 分子名称: | 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | 著者 | Halgas, O, Zarabi, S.F, Schimmer, A, Pai, E.F. | 登録日 | 2018-05-31 | 公開日 | 2019-05-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mitochondrial ClpP-Mediated Proteolysis Induces Selective Cancer Cell Lethality. Cancer Cell, 35, 2019
|
|
5W4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w4r by Molmil](/molmil-images/mine/5w4r) | Structure of RORgt bound to a tertiary alcohol | 分子名称: | 1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one, Nuclear receptor ROR-gamma | 著者 | Spurlino, J. | 登録日 | 2017-06-12 | 公開日 | 2017-12-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | 主引用文献 | 6-Substituted quinolines as ROR gamma t inverse agonists. Bioorg. Med. Chem. Lett., 27, 2017
|
|
6DXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dxl by Molmil](/molmil-images/mine/6dxl) | Linked amidobenzimidazole STING agonist | 分子名称: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | 著者 | Concha, N.O. | 登録日 | 2018-06-29 | 公開日 | 2018-11-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
|
|
6DXG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dxg by Molmil](/molmil-images/mine/6dxg) | amidobenzimidazole (ABZI) STING agonists | 分子名称: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | 著者 | Concha, N.O. | 登録日 | 2018-06-28 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | 主引用文献 | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
|
|
5MH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mh4 by Molmil](/molmil-images/mine/5mh4) | Crystal Structure of Lactococcus lactis Thioredoxin Reductase (FR conformation) | 分子名称: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P. | 登録日 | 2016-11-23 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage. Sci Rep, 7, 2017
|
|
5W4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w4v by Molmil](/molmil-images/mine/5w4v) | Structure of RORgt bound to a tertiary alcohol | 分子名称: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma | 著者 | Spurlino, J, Hars, U. | 登録日 | 2017-06-13 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | 6-Substituted quinolines as ROR gamma t inverse agonists. Bioorg. Med. Chem. Lett., 27, 2017
|
|
6G9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g9v by Molmil](/molmil-images/mine/6g9v) | Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+ | 分子名称: | MAGNESIUM ION, PYROPHOSPHATE, UDP-N-acetylglucosamine pyrophosphorylase, ... | 著者 | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | 登録日 | 2018-04-11 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor RSC Chem. Biol., 2020
|
|
6G9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g9w by Molmil](/molmil-images/mine/6g9w) | Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with UTP | 分子名称: | UDP-N-acetylglucosamine pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE | 著者 | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | 登録日 | 2018-04-11 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor RSC Chem. Biol., 2020
|
|
7QAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qar by Molmil](/molmil-images/mine/7qar) | Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature | 分子名称: | (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase | 著者 | Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A. | 登録日 | 2021-11-17 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
|
|
7PI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pi4 by Molmil](/molmil-images/mine/7pi4) | FAK Protac GSK215 in complex with FAK and pVHL:ElonginC:ElonginB | 分子名称: | (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Chung, C. | 登録日 | 2021-08-19 | 公開日 | 2021-09-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Discovery and Characterisation of Highly Cooperative FAK-Degrading PROTACs. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
4QL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ql1 by Molmil](/molmil-images/mine/4ql1) | Crystal structure of human WDR5 in complex with compound OICR-9429 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ... | 著者 | Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | 登録日 | 2014-06-10 | 公開日 | 2014-12-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia. Nat.Chem.Biol., 11, 2015
|
|
122D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 122d by Molmil](/molmil-images/mine/122d) | |
123D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 123d by Molmil](/molmil-images/mine/123d) | |
3KZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kzz by Molmil](/molmil-images/mine/3kzz) | |
4IR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ir4 by Molmil](/molmil-images/mine/4ir4) | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone (GSK2834113A) | 分子名称: | 1,2-ETHANEDIOL, 1-[7-(morpholin-4-yl)-1-(pyridin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B | 著者 | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-01-14 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. J.Med.Chem., 59, 2016
|
|
4IR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ir5 by Molmil](/molmil-images/mine/4ir5) | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone (GSK2847449A) | 分子名称: | 1,2-ETHANEDIOL, 1-{1-[2-(hydroxymethyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B | 著者 | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-01-14 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. J.Med.Chem., 59, 2016
|
|
4IR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ir3 by Molmil](/molmil-images/mine/4ir3) | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone (GSK2833282A) | 分子名称: | 1,2-ETHANEDIOL, 1-[7-amino-1-(pyrimidin-2-yl)indolizin-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2B, ... | 著者 | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-01-14 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. J.Med.Chem., 59, 2016
|
|
4IR6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ir6 by Molmil](/molmil-images/mine/4ir6) | Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A) | 分子名称: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B | 著者 | Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-01-14 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. J.Med.Chem., 59, 2016
|
|
5DE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5de1 by Molmil](/molmil-images/mine/5de1) | Crystal structure of human IDH1 in complex with GSK321A | 分子名称: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Concha, N.O, Smallwood, A, Qi, H. | 登録日 | 2015-08-25 | 公開日 | 2015-10-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nat.Chem.Biol., 11, 2015
|
|
5KJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kj9 by Molmil](/molmil-images/mine/5kj9) | |
5CSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5csz by Molmil](/molmil-images/mine/5csz) | CRYSTAL STRUCTURE OF GANTENERUMAB FAB FRAGMENT IN COMPLEX WITH ABETA 1-11 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amyloid beta A4 protein, GANTENERUMAB FAB FRAGMENT HEAVY CHAIN, ... | 著者 | Benz, J, Burger, D, Loetscher, H.R, Bohrmann, B. | 登録日 | 2015-07-23 | 公開日 | 2015-08-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Gantenerumab: a novel human anti-Abeta antibody demonstrates sustained cerebral amyloid-Beta binding and elicits cell-mediated removal of human amyloid-Beta. J. Alzheimers Dis., 28, 2012
|
|
3L00
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l00 by Molmil](/molmil-images/mine/3l00) | |
5COJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5coj by Molmil](/molmil-images/mine/5coj) | Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with native substrate 2-(4-methyl-1,3-thiazol-5-yl)ethanol. | 分子名称: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION | 著者 | Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C. | 登録日 | 2015-07-20 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections. Sci Rep, 6, 2016
|
|