1SOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1soo by Molmil](/molmil-images/mine/1soo) | ADENYLOSUCCINATE SYNTHETASE INHIBITED BY HYDANTOCIDIN 5'-MONOPHOSPHATE | 分子名称: | ADENYLOSUCCINATE SYNTHETASE, BETA-MERCAPTOETHANOL, HYDANTOCIDIN-5'-PHOSPHATE, ... | 著者 | Cowan-Jacob, S.W. | 登録日 | 1996-05-07 | 公開日 | 1997-09-04 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The mode of action and the structure of a herbicide in complex with its target: binding of activated hydantocidin to the feedback regulation site of adenylosuccinate synthetase. Proc.Natl.Acad.Sci.USA, 93, 1996
|
|
1SON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1son by Molmil](/molmil-images/mine/1son) | |
4RVK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rvk by Molmil](/molmil-images/mine/4rvk) | CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide | 分子名称: | N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1 | 著者 | Wiesmann, C, Wu, P. | 登録日 | 2014-11-26 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
|
|
4RVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rvl by Molmil](/molmil-images/mine/4rvl) | CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile | 分子名称: | 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Wiesmann, C, Wu, P. | 登録日 | 2014-11-26 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
|
|
5HR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hr1 by Molmil](/molmil-images/mine/5hr1) | Crystal structure of thioredoxin L107A mutant | 分子名称: | COPPER (II) ION, Thioredoxin-1 | 著者 | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | 登録日 | 2016-01-22 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.144 Å) | 主引用文献 | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
|
|
5HR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hr2 by Molmil](/molmil-images/mine/5hr2) | Crystal structure of thioredoxin L94A mutant | 分子名称: | COPPER (II) ION, Thioredoxin | 著者 | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | 登録日 | 2016-01-22 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
|
|
5HR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hr0 by Molmil](/molmil-images/mine/5hr0) | Crystal structure of thioredoxin E101G mutant | 分子名称: | COPPER (II) ION, Thioredoxin | 著者 | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | 登録日 | 2016-01-22 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
|
|
5HR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hr3 by Molmil](/molmil-images/mine/5hr3) | Crystal structure of thioredoxin N106A mutant | 分子名称: | COPPER (II) ION, ETHANOL, SULFATE ION, ... | 著者 | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | 登録日 | 2016-01-22 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.101 Å) | 主引用文献 | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
|
|
7R9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r9l by Molmil](/molmil-images/mine/7r9l) | Crystal structure of HPK1 in complex with compound 2 | 分子名称: | 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase | 著者 | Wu, P, Lehoux, I, Wang, W. | 登録日 | 2021-06-29 | 公開日 | 2022-01-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.332 Å) | 主引用文献 | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
|
|
7R9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r9p by Molmil](/molmil-images/mine/7r9p) | Crystal structure of HPK1 in complex with compound 14 | 分子名称: | 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION | 著者 | Wu, P, Lehoux, I, Wang, W. | 登録日 | 2021-06-29 | 公開日 | 2022-01-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
|
|
7R9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r9t by Molmil](/molmil-images/mine/7r9t) | Crystal structure of HPK1 in complex with compound 17 | 分子名称: | 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase | 著者 | Wu, P, Lehoux, I, Wang, W. | 登録日 | 2021-06-29 | 公開日 | 2022-01-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
|
|
7R9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r9n by Molmil](/molmil-images/mine/7r9n) | Crystal structure of HPK1 in complex with GNE1858 | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ... | 著者 | Wu, P, Lehoux, I, Wang, W. | 登録日 | 2021-06-29 | 公開日 | 2022-01-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
|
|
4DIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4diq by Molmil](/molmil-images/mine/4diq) | Crystal Structure of human NO66 | 分子名称: | Lysine-specific demethylase NO66, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | 著者 | Vollmar, M, Krojer, T, Ng, S, Pilka, E, Bray, J, Pike, A.C.W, Filippakopoulos, P, Roos, A, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | 登録日 | 2012-01-31 | 公開日 | 2012-03-07 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structure of human NO66 TO BE PUBLISHED
|
|
1EKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1eko by Molmil](/molmil-images/mine/1eko) | PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR | 分子名称: | ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE | 著者 | Podjarny, A. | 登録日 | 2000-03-09 | 公開日 | 2000-05-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The structure of human aldose reductase bound to the inhibitor IDD384. Acta Crystallogr.,Sect.D, 56, 2000
|
|
5EM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5em6 by Molmil](/molmil-images/mine/5em6) | |
5EM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5em8 by Molmil](/molmil-images/mine/5em8) | |
5EM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5em5 by Molmil](/molmil-images/mine/5em5) | |
5EM7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5em7 by Molmil](/molmil-images/mine/5em7) | |
4J93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j93 by Molmil](/molmil-images/mine/4j93) | Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BI-1 | 分子名称: | (4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein | 著者 | Lemke, C.T. | 登録日 | 2013-02-15 | 公開日 | 2013-07-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Discovery of Novel Small-Molecule HIV-1 Replication Inhibitors That Stabilize Capsid Complexes. Antimicrob.Agents Chemother., 57, 2013
|
|
2PFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pfh by Molmil](/molmil-images/mine/2pfh) | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594. | 分子名称: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | 著者 | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | 登録日 | 2007-04-05 | 公開日 | 2007-04-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Crystal packing modifies ligand binding affinity: The case of aldose reductase. Proteins, 80, 2012
|
|
2PEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pev by Molmil](/molmil-images/mine/2pev) | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594. | 分子名称: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | 著者 | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | 登録日 | 2007-04-03 | 公開日 | 2007-04-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | 主引用文献 | Crystal packing modifies ligand binding affinity: The case of aldose reductase. Proteins, 80, 2012
|
|
2PF8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pf8 by Molmil](/molmil-images/mine/2pf8) | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594. | 分子名称: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | 著者 | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | 登録日 | 2007-04-04 | 公開日 | 2007-04-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Crystal packing modifies ligand binding affinity: The case of aldose reductase. Proteins, 80, 2012
|
|
5CAN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5can by Molmil](/molmil-images/mine/5can) | EGFR kinase domain mutant "TMLR" with compound 27 | 分子名称: | (3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
|
|
5CAV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cav by Molmil](/molmil-images/mine/5cav) | EGFR kinase domain with compound 41a | 分子名称: | (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-30 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
|
|
5C8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c8m by Molmil](/molmil-images/mine/5c8m) | EGFR kinase domain mutant "TMLR" with compound 17 | 分子名称: | 2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-25 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
|
|