6U46
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6HP0
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![BU of 6hp0 by Molmil](/molmil-images/mine/6hp0) | Complex of Neuraminidase from H1N1 Influenza Virus in Complex with Oseltamivir Triazol Derivative | 分子名称: | (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pachl, P, Pokorna, J. | 登録日 | 2018-09-19 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1. Bioorg.Med.Chem., 27, 2019
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6HGN
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6UCO
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6HQ2
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8BQQ
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![BU of 8bqq by Molmil](/molmil-images/mine/8bqq) | Hen Egg-White Lysozyme (HEWL) complexed with amine-functionalised Anderson-Evans polyoxometalate | 分子名称: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-N(2)-O(24)-C(8) cluster | 著者 | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | 登録日 | 2022-11-21 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8BQR
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![BU of 8bqr by Molmil](/molmil-images/mine/8bqr) | Hen Egg-White Lysozyme (HEWL) complexed with biotin-functionalised Anderson-Evans polyoxometalate | 分子名称: | Anderson-Evans polyoxometalate (biotin-functionalised), CALCIUM ION, Lysozyme C | 著者 | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | 登録日 | 2022-11-21 | 公開日 | 2023-03-08 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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6UCP
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5CU0
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![BU of 5cu0 by Molmil](/molmil-images/mine/5cu0) | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound | 分子名称: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | 登録日 | 2015-07-24 | 公開日 | 2016-11-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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3DT1
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![BU of 3dt1 by Molmil](/molmil-images/mine/3dt1) | P38 Complexed with a quinazoline inhibitor | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | 著者 | Herberich, B, Syed, R, Li, V, Tasker, A.S. | 登録日 | 2008-07-14 | 公開日 | 2008-10-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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3DXG
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![BU of 3dxg by Molmil](/molmil-images/mine/3dxg) | Ribonuclease A- uridine 5' phosphate complex | 分子名称: | Ribonuclease pancreatic, URIDINE-5'-MONOPHOSPHATE | 著者 | Tsirkone, V.G, Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Kontou, M. | 登録日 | 2008-07-24 | 公開日 | 2009-06-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Inhibitor design to Ribonuclease A: The binding of two 5'phosphate uridine analogues Acta Crystallogr.,Sect.F, 2009
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5D77
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3DXN
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![BU of 3dxn by Molmil](/molmil-images/mine/3dxn) | Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain. | 分子名称: | Calmodulin-like domain protein kinase isoform 3 | 著者 | Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Wasney, G, Lin, Y.H, Hassani, A, Ali, A, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wikstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | 登録日 | 2008-07-24 | 公開日 | 2008-09-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain. To be Published
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5D7A
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![BU of 5d7a by Molmil](/molmil-images/mine/5d7a) | Crystal structure of the kinase domain of TRAF2 and NCK-interacting protein kinase with NCB-0846 | 分子名称: | SULFATE ION, TRAF2 and NCK-interacting protein kinase, cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol | 著者 | Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M. | 登録日 | 2015-08-13 | 公開日 | 2016-08-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | TNIK inhibition abrogates colorectal cancer stemness Nat Commun, 7, 2016
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3E1X
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![BU of 3e1x by Molmil](/molmil-images/mine/3e1x) | The Crystal Structure of Apo Prostasin at 1.7 Angstroms Resolution | 分子名称: | GLYCEROL, Prostasin | 著者 | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | 登録日 | 2008-08-04 | 公開日 | 2009-05-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci., 18, 2009
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5CT0
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![BU of 5ct0 by Molmil](/molmil-images/mine/5ct0) | Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound | 分子名称: | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol, ACETATE ION, Casein kinase II subunit alpha | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | 登録日 | 2015-07-23 | 公開日 | 2016-11-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.008 Å) | 主引用文献 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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3ER5
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![BU of 3er5 by Molmil](/molmil-images/mine/3er5) | THE ACTIVE SITE OF ASPARTIC PROTEINASES | 分子名称: | ENDOTHIAPEPSIN, H-189 | 著者 | Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L. | 登録日 | 1991-01-05 | 公開日 | 1991-04-15 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin. Biochem.J., 289 ( Pt 2), 1993
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3EKF
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3E4E
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3E3T
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![BU of 3e3t by Molmil](/molmil-images/mine/3e3t) | Structure of porcine pancreatic elastase with the magic triangle I3C | 分子名称: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ... | 著者 | Beck, T, Gruene, T, Sheldrick, G.M. | 登録日 | 2008-08-08 | 公開日 | 2008-10-28 | 最終更新日 | 2012-04-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A magic triangle for experimental phasing of macromolecules Acta Crystallogr.,Sect.D, 64, 2008
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6TCU
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![BU of 6tcu by Molmil](/molmil-images/mine/6tcu) | Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | 分子名称: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta | 著者 | Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R. | 登録日 | 2019-11-06 | 公開日 | 2020-09-16 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model. Acs Med.Chem.Lett., 11, 2020
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5D9H
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![BU of 5d9h by Molmil](/molmil-images/mine/5d9h) | Crystal structure of SPAK (STK39) dimer in the basal activity state | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, STE20/SPS1-related proline-alanine-rich protein kinase, ... | 著者 | Taylor, C.A, Juang, Y.C, Goldsmith, E.J, Cobb, M.H. | 登録日 | 2015-08-18 | 公開日 | 2015-09-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Domain-Swapping Switch Point in Ste20 Protein Kinase SPAK. Biochemistry, 54, 2015
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3E7Y
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![BU of 3e7y by Molmil](/molmil-images/mine/3e7y) | Structure of human insulin | 分子名称: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | 著者 | Timofeev, V.I, Baidus, A.N, Kislitsyn, Y.A, Kuranova, I.P. | 登録日 | 2008-08-19 | 公開日 | 2009-02-24 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure of human insulin to be published
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3E5H
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![BU of 3e5h by Molmil](/molmil-images/mine/3e5h) | Crystal Structure of Rab28 GTPase in the Active (GppNHp-bound) Form | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Lee, S.H, Baek, K, Li, Y, Dominguez, R. | 登録日 | 2008-08-13 | 公開日 | 2008-08-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Large nucleotide-dependent conformational change in Rab28. Febs Lett., 582, 2008
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6HBI
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![BU of 6hbi by Molmil](/molmil-images/mine/6hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, DEOXY FORM | 分子名称: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Royer Junior, W.E. | 登録日 | 1998-06-25 | 公開日 | 1998-11-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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