7VUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vuc by Molmil](/molmil-images/mine/7vuc) | |
6AD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ad9 by Molmil](/molmil-images/mine/6ad9) | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9 | 分子名称: | 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma | 著者 | Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J. | 登録日 | 2018-07-31 | 公開日 | 2018-11-14 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers. J. Med. Chem., 61, 2018
|
|
3VSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vsx by Molmil](/molmil-images/mine/3vsx) | Human renin in complex with compound 18 | 分子名称: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2012-05-11 | 公開日 | 2012-07-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
|
|
3VYE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vye by Molmil](/molmil-images/mine/3vye) | Human renin in complex with inhibitor 7 | 分子名称: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Matsui, Y, Hanzawa, H. | 登録日 | 2012-09-24 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
|
|
3VYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vyd by Molmil](/molmil-images/mine/3vyd) | Human renin in complex with inhibitor 6 | 分子名称: | (3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2012-09-24 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
|
|
3VYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vyf by Molmil](/molmil-images/mine/3vyf) | Human renin in complex with inhibitor 9 | 分子名称: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2012-09-24 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
|
|
3VSW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vsw by Molmil](/molmil-images/mine/3vsw) | Human renin in complex with compound 8 | 分子名称: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2012-05-11 | 公開日 | 2012-07-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
|
|
3VUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vuc by Molmil](/molmil-images/mine/3vuc) | Human renin in complex with compound 5 | 分子名称: | (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | 著者 | Takahashi, M, Matsui, Y, Hanzawa, H. | 登録日 | 2012-06-26 | 公開日 | 2013-05-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor. Acs Med.Chem.Lett., 3, 2012
|
|
7CE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ce4 by Molmil](/molmil-images/mine/7ce4) | Tankyrase2 catalytic domain in complex with K-476 | 分子名称: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ... | 著者 | Takahashi, Y, Suzuki, M, Saito, J. | 登録日 | 2020-06-22 | 公開日 | 2021-05-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors. Am J Cancer Res, 11, 2021
|
|
5WJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wj1 by Molmil](/molmil-images/mine/5wj1) | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | 著者 | Garcia, M.D, Lonhienne, T, Guddat, L.W. | 登録日 | 2017-07-21 | 公開日 | 2018-02-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.522 Å) | 主引用文献 | Structural insights into the mechanism of inhibition of AHAS by herbicides. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5WKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wkc by Molmil](/molmil-images/mine/5wkc) | Saccharomyces cerevisiae acetohydroxyacid synthase in complex with the herbicide penoxsulam | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, ... | 著者 | Guddat, W.L, Lonhienne, G.T. | 登録日 | 2017-07-25 | 公開日 | 2018-02-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.334 Å) | 主引用文献 | Structural insights into the mechanism of inhibition of AHAS by herbicides. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
2PC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pc6 by Molmil](/molmil-images/mine/2pc6) | Crystal structure of putative acetolactate synthase- small subunit from Nitrosomonas europaea | 分子名称: | CALCIUM ION, Probable acetolactate synthase isozyme III (Small subunit), UNKNOWN LIGAND | 著者 | Petkowski, J.J, Chruszcz, M, Zimmerman, M.D, Zheng, H, Cymborowski, M.T, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2007-03-29 | 公開日 | 2007-04-10 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of TM0549 and NE1324--two orthologs of E. coli AHAS isozyme III small regulatory subunit. Protein Sci., 16, 2007
|
|
6DEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dep by Molmil](/molmil-images/mine/6dep) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide sulfometuron methyl | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.149 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DEL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6del by Molmil](/molmil-images/mine/6del) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.119 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6des by Molmil](/molmil-images/mine/6des) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone | 分子名称: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dem by Molmil](/molmil-images/mine/6dem) | |
6DEK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dek by Molmil](/molmil-images/mine/6dek) | |
6DER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6der by Molmil](/molmil-images/mine/6der) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide metosulam | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.126 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6den by Molmil](/molmil-images/mine/6den) | |
6DEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6deo by Molmil](/molmil-images/mine/6deo) | |
6DEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6deq by Molmil](/molmil-images/mine/6deq) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.127 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
2FGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fgc by Molmil](/molmil-images/mine/2fgc) | Crystal structure of Acetolactate synthase- small subunit from Thermotoga maritima | 分子名称: | MAGNESIUM ION, acetolactate synthase, small subunit | 著者 | Petkowski, J.J, Chruszcz, M, Zimmerman, M.D, Zheng, H, Cymborowski, M.T, Koclega, K.D, Kudritska, M, Minor, W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2005-12-21 | 公開日 | 2006-02-07 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of TM0549 and NE1324--two orthologs of E. coli AHAS isozyme III small regulatory subunit. Protein Sci., 16, 2007
|
|
5YUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yum by Molmil](/molmil-images/mine/5yum) | Crystallographic structures of IlvN.Val/Ile complexes:Conformational selectivity for feedback inhibition of AHASs | 分子名称: | Acetolactate synthase isozyme 1 small subunit, COBALT (II) ION, ISOLEUCINE | 著者 | Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B. | 登録日 | 2017-11-22 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.432 Å) | 主引用文献 | Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases. Biochemistry, 58, 2019
|
|
4VUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4vub by Molmil](/molmil-images/mine/4vub) | CCDB, A TOPOISOMERASE POISON FROM ESCHERICHIA COLI | 分子名称: | CCDB, CHLORIDE ION | 著者 | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | 登録日 | 1998-04-17 | 公開日 | 1998-10-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal structure of CcdB, a topoisomerase poison from E. coli. J.Mol.Biol., 285, 1999
|
|
2LGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lgh by Molmil](/molmil-images/mine/2lgh) | Solution NMR structure of the AHSA1-like protein AHA_2358 from Aeromonas hydrophila refined with NH RDCs, Northeast Structural Genomics Consortium Target AhR99. | 分子名称: | Uncharacterized protein | 著者 | Ramelot, T.A, Yang, Y, Lee, H, Wang, D, Ciccosanti, C, Janjua, H, Nair, R, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2011-07-26 | 公開日 | 2011-08-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution NMR structure of the AHSA1-like protein AHA_2358 from Aeromonas
hydrophila refined with NH RDCs. Northeast Structural Genomics Consortium Target AhR99. To be Published
|
|