7VE2
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![BU of 7ve2 by Molmil](/molmil-images/mine/7ve2) | Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Plasmepsin II | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | 登録日 | 2021-09-07 | 公開日 | 2023-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery. Curr Res Struct Biol, 7, 2024
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7VE0
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![BU of 7ve0 by Molmil](/molmil-images/mine/7ve0) | Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | 登録日 | 2021-09-07 | 公開日 | 2023-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery. Curr Res Struct Biol, 7, 2024
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2PRE
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![BU of 2pre by Molmil](/molmil-images/mine/2pre) | Crystal structure of plant cysteine protease Ervatamin-C complexed with irreversible inhibitor E-64 at 2.7 A resolution | 分子名称: | Ervatamin-C, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, SULFATE ION | 著者 | Ghosh, R, Chakrabarti, C, Dattagupta, J.K, Biswas, S. | 登録日 | 2007-05-04 | 公開日 | 2008-01-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural insights into the substrate specificity and activity of ervatamins, the papain-like cysteine proteases from a tropical plant, Ervatamia coronaria. Febs J., 275, 2008
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6X9S
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![BU of 6x9s by Molmil](/molmil-images/mine/6x9s) | |
2PUZ
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![BU of 2puz by Molmil](/molmil-images/mine/2puz) | Crystal structure of Imidazolonepropionase from Agrobacterium tumefaciens with bound product N-formimino-L-Glutamate | 分子名称: | CHLORIDE ION, FE (III) ION, Imidazolonepropionase, ... | 著者 | Tyagi, R, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2007-05-09 | 公開日 | 2007-05-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | X-ray structure of imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A resolution. Proteins, 69, 2007
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6X9R
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![BU of 6x9r by Molmil](/molmil-images/mine/6x9r) | |
6X9U
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![BU of 6x9u by Molmil](/molmil-images/mine/6x9u) | HIV-1 Envelope Glycoprotein BG505 SOSIP.664, expressed in HEK293S cells and partially deglycosylated by endoglycosidase H, in complex with RM20A3 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Envelope Glycoprotein BG505 SOSIP.664 gp120, ... | 著者 | Berndsen, Z.T, Ward, A.B. | 登録日 | 2020-06-03 | 公開日 | 2020-11-04 | 最終更新日 | 2020-11-25 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Visualization of the HIV-1 Env glycan shield across scales. Proc.Natl.Acad.Sci.USA, 117, 2020
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5OUK
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![BU of 5ouk by Molmil](/molmil-images/mine/5ouk) | Crystal structure of human AKR1B1 complexed with NADP+ and compound 41 | 分子名称: | 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | 登録日 | 2017-08-24 | 公開日 | 2018-05-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.959 Å) | 主引用文献 | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem, 152, 2018
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1KVW
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![BU of 1kvw by Molmil](/molmil-images/mine/1kvw) | |
1KVX
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1KVY
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4OAS
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![BU of 4oas by Molmil](/molmil-images/mine/4oas) | co-crystal structure of MDM2 (17-111) in complex with compound 25 | 分子名称: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid | 著者 | Huang, X. | 登録日 | 2014-01-06 | 公開日 | 2014-02-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development. J.Med.Chem., 57, 2014
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4ODE
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![BU of 4ode by Molmil](/molmil-images/mine/4ode) | Co-Crystal Structure of MDM2 with Inhibitor Compound 4 | 分子名称: | (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | 登録日 | 2014-01-10 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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4OGV
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![BU of 4ogv by Molmil](/molmil-images/mine/4ogv) | Co-Crystal Structure of MDM2 with Inhibitor Compound 49 | 分子名称: | E3 ubiquitin-protein ligase Mdm2, [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | 登録日 | 2014-01-16 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.197 Å) | 主引用文献 | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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4OGN
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![BU of 4ogn by Molmil](/molmil-images/mine/4ogn) | Co-Crystal Structure of MDM2 with Inhbitor Compound 3 | 分子名称: | 6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | 登録日 | 2014-01-16 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.377 Å) | 主引用文献 | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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4OGT
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![BU of 4ogt by Molmil](/molmil-images/mine/4ogt) | Co-Crystal Structure of MDM2 with Inhbitor Compound 46 | 分子名称: | 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | 登録日 | 2014-01-16 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5361 Å) | 主引用文献 | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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4OBA
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![BU of 4oba by Molmil](/molmil-images/mine/4oba) | Co-crystal structure of MDM2 with Inhibitor Compound 4 | 分子名称: | E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | 登録日 | 2014-01-07 | 公開日 | 2014-03-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | 主引用文献 | Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction. J.Med.Chem., 57, 2014
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4OCC
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![BU of 4occ by Molmil](/molmil-images/mine/4occ) | co-crystal structure of MDM2(17-111) in complex with compound 48 | 分子名称: | E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | 著者 | Huang, X. | 登録日 | 2014-01-08 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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4ODF
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![BU of 4odf by Molmil](/molmil-images/mine/4odf) | Co-Crystal Structure of MDM2 with Inhibitor Compound 47 | 分子名称: | 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2 | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | 登録日 | 2014-01-10 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2006 Å) | 主引用文献 | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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3D7K
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![BU of 3d7k by Molmil](/molmil-images/mine/3d7k) | Crystal structure of benzaldehyde lyase in complex with the inhibitor MBP | 分子名称: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzaldehyde lyase, CALCIUM ION | 著者 | Brandt, G.S. | 登録日 | 2008-05-21 | 公開日 | 2008-07-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Probing the active center of benzaldehyde lyase with substitutions and the pseudosubstrate analogue benzoylphosphonic acid methyl ester Biochemistry, 47, 2008
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4P2Y
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1MKV
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![BU of 1mkv by Molmil](/molmil-images/mine/1mkv) | |
3EAA
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![BU of 3eaa by Molmil](/molmil-images/mine/3eaa) | |
3EPT
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3FSJ
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![BU of 3fsj by Molmil](/molmil-images/mine/3fsj) | Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP | 分子名称: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CALCIUM ION | 著者 | Brandt, G.S, Kenyon, G.L, McLeish, M.J, Jordan, F, Petsko, G.A, Ringe, D. | 登録日 | 2009-01-09 | 公開日 | 2009-01-27 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor. Biochemistry, 48, 2009
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