6H5X
 
 | |
6H5W
 | |
8BJT
 | | Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one | | 分子名称: | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | | 著者 | Musil, D, Liu-Bujalski, L. | | 登録日 | 2022-11-06 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.188 Å) | | 主引用文献 | Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
|
|
6QMU
 | |
6EAB
 | |
6EE4
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6m) and catalytic zinc ion | | 分子名称: | (2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-13 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
|
|
5I2E
 | | Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound Sulfamate Inhibitor 3a:3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine | | 分子名称: | 3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine, GLYCEROL, Histidine triad nucleotide-binding protein 1 | | 著者 | Strom, A.M, Finzel, B.C, Wagner, C.R. | | 登録日 | 2016-02-08 | | 公開日 | 2016-06-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
|
|
5I2F
 | | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS | | 分子名称: | 1,2-ETHANEDIOL, 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Histidine triad nucleotide-binding protein 1 | | 著者 | Maize, K.M, Finzel, B.C. | | 登録日 | 2016-02-08 | | 公開日 | 2016-06-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
|
|
6EE6
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6o) and catalytic zinc ion | | 分子名称: | (2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-13 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
|
|
8RHJ
 | | Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
|
|
8RHL
 | | Yeast 20S proteasome in complex with a linear biarylether epoxyketone (compound 15a) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear biarylether epoxyketone, ... | | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
|
|
8RHK
 | | Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ... | | 著者 | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | 登録日 | 2023-12-15 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
|
|
6EE3
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion | | 分子名称: | (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-13 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
|
|
6EED
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion | | 分子名称: | (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-13 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
|
|
5ZAJ
 | | uPA-31F | | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B | | 著者 | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | 登録日 | 2018-02-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
|
|
5ZAG
 | | uPA-BB2-94F | | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B | | 著者 | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | 登録日 | 2018-02-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
|
|
6TT0
 | | Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor | | 分子名称: | (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M. | | 登録日 | 2019-12-22 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.80003023 Å) | | 主引用文献 | Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Acs Med.Chem.Lett., 11, 2020
|
|
6EA1
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6da) and catalytic zinc ion | | 分子名称: | (2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-02 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.815 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
|
|
5ZA8
 | | uPA-BB2-27F | | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B | | 著者 | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | 登録日 | 2018-02-06 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
|
|
5ZAF
 | | uPA-BB2-28F | | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B | | 著者 | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | 登録日 | 2018-02-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
|
|
5ZA7
 | | uPA-HMA | | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator chain B | | 著者 | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | 登録日 | 2018-02-06 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
|
|
5ZAE
 | | uPA-6F-HMA | | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator chain B | | 著者 | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | 登録日 | 2018-02-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
|
|
5ZAH
 | | uPA-BB2-30F | | 分子名称: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B | | 著者 | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | 登録日 | 2018-02-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
|
|
4YPC
 | |
5GWJ
 | | Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873S | | 分子名称: | DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ... | | 著者 | Wang, Y.R, Chen, S.F, Wu, C.C, Chan, N.L. | | 登録日 | 2016-09-12 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.566 Å) | | 主引用文献 | Producing irreversible topoisomerase II-mediated DNA breaks by site-specific Pt(II)-methionine coordination chemistry
Nucleic Acids Res., 45, 2017
|
|
