1O1N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o1n by Molmil](/molmil-images/mine/1o1n) | |
3SKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ske by Molmil](/molmil-images/mine/3ske) | I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles | 分子名称: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION | 著者 | Lesburg, C.A, Anilkumar, G.N. | 登録日 | 2011-06-22 | 公開日 | 2011-08-31 | 最終更新日 | 2012-09-26 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles. Bioorg.Med.Chem.Lett., 21, 2011
|
|
2HAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hal by Molmil](/molmil-images/mine/2hal) | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | 分子名称: | Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE | 著者 | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | 登録日 | 2006-06-13 | 公開日 | 2006-08-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors. J.Mol.Biol., 361, 2006
|
|
4H88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h88 by Molmil](/molmil-images/mine/4h88) | Structure of POM1 FAB fragment complexed with mouse PrPc Fragment 120-230 | 分子名称: | Major prion protein, POM1 FAB CHAIN H, POM1 FAB CHAIN L, ... | 著者 | Baral, P.K, Wieland, B, Swayampakula, M, James, M.N. | 登録日 | 2012-09-21 | 公開日 | 2013-07-31 | 最終更新日 | 2013-09-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The toxicity of antiprion antibodies is mediated by the flexible tail of the prion protein. Nature, 501, 2013
|
|
1O1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o1o by Molmil](/molmil-images/mine/1o1o) | |
1O1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o1l by Molmil](/molmil-images/mine/1o1l) | |
3TYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tyv by Molmil](/molmil-images/mine/3tyv) | |
3TYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tyq by Molmil](/molmil-images/mine/3tyq) | |
3SKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ska by Molmil](/molmil-images/mine/3ska) | |
3H9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h9f by Molmil](/molmil-images/mine/3h9f) | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand | 分子名称: | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION | 著者 | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2009-04-30 | 公開日 | 2009-05-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat.Chem.Biol., 6, 2010
|
|
2JQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jqa by Molmil](/molmil-images/mine/2jqa) | Solution structure of apo-DR1885 from Deinococcus radiodurans | 分子名称: | Hypothetical protein | 著者 | Banci, L, Bertini, I, Ciofi Baffoni, S, Katsari, E, Katsaros, N, Kubicek, K. | 登録日 | 2007-05-30 | 公開日 | 2007-06-12 | 最終更新日 | 2023-12-20 | 実験手法 | SOLUTION NMR | 主引用文献 | A copper(I) protein possibly involved in the assembly of CuA center of bacterial cytochrome c oxidase Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
2G59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g59 by Molmil](/molmil-images/mine/2g59) | |
5ITD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5itd by Molmil](/molmil-images/mine/5itd) | Crystal structure of PI3K alpha with PI3K delta inhibitor | 分子名称: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Knapp, M.S, Elling, R.A. | 登録日 | 2016-03-16 | 公開日 | 2016-09-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors. Acs Med.Chem.Lett., 7, 2016
|
|
4XQ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xq0 by Molmil](/molmil-images/mine/4xq0) | |
3T3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t3h by Molmil](/molmil-images/mine/3t3h) | Glycogen Phosphorylase b in complex with GlcIU | 分子名称: | 1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | 著者 | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | 登録日 | 2011-07-25 | 公開日 | 2012-02-15 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
|
|
4XRA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xra by Molmil](/molmil-images/mine/4xra) | Salmonella typhimurium AhpC T43S mutant | 分子名称: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | 著者 | Perkins, A, Brereton, A.E, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | 登録日 | 2015-01-20 | 公開日 | 2016-01-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
|
|
3T3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t3d by Molmil](/molmil-images/mine/3t3d) | Glycogen phosphorylase b in complex with GlcU | 分子名称: | 1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | 著者 | Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D. | 登録日 | 2011-07-25 | 公開日 | 2012-02-15 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides towards Glycogen Phosphorylase b Chemmedchem, 7, 2012
|
|
4XRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xrd by Molmil](/molmil-images/mine/4xrd) | Salmonella typhimurium AhpC W169F mutant | 分子名称: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | 著者 | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | 登録日 | 2015-01-21 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
|
|
4XS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xs4 by Molmil](/molmil-images/mine/4xs4) | Salmonella typhimurium AhpC C165S mutant | 分子名称: | Alkyl hydroperoxide reductase subunit C, POTASSIUM ION | 著者 | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | 登録日 | 2015-01-21 | 公開日 | 2016-01-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
|
|
4XTS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xts by Molmil](/molmil-images/mine/4xts) | Salmonella typhimurium AhpC T43A mutant | 分子名称: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION | 著者 | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | 登録日 | 2015-01-24 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.704 Å) | 主引用文献 | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
|
|
7ZUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zuv by Molmil](/molmil-images/mine/7zuv) | Crystal structure of Chlamydomonas reinhardtii chloroplastic sedoheptulose-1,7-bisphosphatase in reducing conditions | 分子名称: | FBPase domain-containing protein, SULFATE ION | 著者 | Le Moigne, T, Robert, G.Q, Lemaire, S.D, Henri, J. | 登録日 | 2022-05-13 | 公開日 | 2023-05-24 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | Characterization of chloroplast ribulose-5-phosphate-3-epimerase from the microalga Chlamydomonas reinhardtii. Plant Physiol., 194, 2024
|
|
4XS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xs6 by Molmil](/molmil-images/mine/4xs6) | Salmonella typhimurium AhpC W81F mutant | 分子名称: | Alkyl hydroperoxide reductase subunit C, POTASSIUM ION | 著者 | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | 登録日 | 2015-01-21 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
|
|
4XPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xpz by Molmil](/molmil-images/mine/4xpz) | |
3OB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ob4 by Molmil](/molmil-images/mine/3ob4) | MBP-fusion protein of the major peanut allergen Ara h 2 | 分子名称: | CHLORIDE ION, Maltose ABC transporter periplasmic protein,Arah 2, SULFATE ION, ... | 著者 | Mueller, G.A, Gosavi, R.A, Moon, A.F, London, R.E, Pedersen, L.C. | 登録日 | 2010-08-06 | 公開日 | 2011-02-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.706 Å) | 主引用文献 | Ara h 2: crystal structure and IgE binding distinguish two subpopulations of peanut allergic patients by epitope diversity. Allergy, 66, 2011
|
|
4XS1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xs1 by Molmil](/molmil-images/mine/4xs1) | Salmonella typhimurium AhpC T43V mutant | 分子名称: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | 著者 | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | 登録日 | 2015-01-21 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
|
|