2J90
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![BU of 2j90 by Molmil](/molmil-images/mine/2j90) | Crystal structure of human ZIP kinase in complex with a tetracyclic pyridone inhibitor (Pyridone 6) | 分子名称: | 1,2-ETHANEDIOL, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, CHLORIDE ION, ... | 著者 | Turnbull, A.P, Berridge, G, Fedorov, O, Pike, A.C.W, Savitsky, P, Eswaran, J, Papagrigoriou, E, Ugochukwa, E, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | 登録日 | 2006-10-31 | 公開日 | 2006-11-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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2ID7
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![BU of 2id7 by Molmil](/molmil-images/mine/2id7) | 1.75 A Structure of T87I Phosphono-CheY | 分子名称: | Chemotaxis protein cheY | 著者 | Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D. | 登録日 | 2006-09-14 | 公開日 | 2007-09-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides. Arch.Biochem.Biophys., 479, 2008
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3EXD
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3EXY
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2IGY
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![BU of 2igy by Molmil](/molmil-images/mine/2igy) | Achiral, Cheap and Potent Inhibitors of Plasmepsins II | 分子名称: | N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE, Plasmepsin-2 | 著者 | Prade, L. | 登録日 | 2006-09-25 | 公開日 | 2006-11-28 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Achiral, Cheap, and Potent Inhibitors of Plasmepsins I, II, and IV. Chemmedchem, 1, 2006
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2J23
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![BU of 2j23 by Molmil](/molmil-images/mine/2j23) | Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family | 分子名称: | THIOREDOXIN | 著者 | Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R. | 登録日 | 2006-08-16 | 公開日 | 2006-11-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family. J Immunol., 178, 2007
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5EN9
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![BU of 5en9 by Molmil](/molmil-images/mine/5en9) | High resolution x-ray crystal structure of isotope-labeled ester-insulin | 分子名称: | Insulin chain A, Insulin chain B | 著者 | Mandal, K, Dhayalan, B, Avital-Shmilovici, M, Tokmakoff, A, Kent, S.B.H. | 登録日 | 2015-11-09 | 公開日 | 2016-01-13 | 最終更新日 | 2019-12-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystallization of Enantiomerically Pure Proteins from Quasi-Racemic Mixtures: Structure Determination by X-Ray Diffraction of Isotope-Labeled Ester Insulin and Human Insulin. Chembiochem, 17, 2016
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2IIM
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![BU of 2iim by Molmil](/molmil-images/mine/2iim) | SH3 Domain of Human Lck | 分子名称: | CALCIUM ION, Proto-oncogene tyrosine-protein kinase LCK, TETRAETHYLENE GLYCOL, ... | 著者 | Romir, J, Egerer-Sieber, C, Muller, Y.A. | 登録日 | 2006-09-28 | 公開日 | 2006-11-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Crystal structure analysis and solution studies of human Lck-SH3; zinc-induced homodimerization competes with the binding of proline-rich motifs. J.Mol.Biol., 365, 2007
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5ENM
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![BU of 5enm by Molmil](/molmil-images/mine/5enm) | Compound 10 | 分子名称: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Lewis, H.A. | 登録日 | 2015-11-09 | 公開日 | 2016-10-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
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2IC4
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![BU of 2ic4 by Molmil](/molmil-images/mine/2ic4) | Solution structure of the His402 allotype of the Factor H SCR6-SCR7-SCR8 fragment | 分子名称: | Complement factor H | 著者 | Fernando, A.N, Furtado, P.B, Gilbert, H.E, Clark, S.J, Day, A.J, Sim, R.B, Perkins, S.J. | 登録日 | 2006-09-12 | 公開日 | 2007-04-10 | 最終更新日 | 2024-02-21 | 実験手法 | SOLUTION SCATTERING | 主引用文献 | Associative and Structural Properties of the Region of Complement Factor H Encompassing the Tyr402His Disease-related Polymorphism and its Interactions with Heparin. J.Mol.Biol., 368, 2007
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3EXO
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![BU of 3exo by Molmil](/molmil-images/mine/3exo) | Crystal structure of BACE1 bound to inhibitor | 分子名称: | Beta-secretase 1, GLYCEROL, N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide, ... | 著者 | Allison, T.J. | 登録日 | 2008-10-16 | 公開日 | 2009-02-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of a small molecule beta-secretase inhibitor that binds without catalytic aspartate engagement. Bioorg.Med.Chem.Lett., 19, 2009
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3EXX
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5EOP
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5EQX
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![BU of 5eqx by Molmil](/molmil-images/mine/5eqx) | Crystal structure of human Desmoglein-3 ectodomain | 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, CALCIUM ION, ... | 著者 | Harrison, O.J, Brasch, J, Shapiro, L. | 登録日 | 2015-11-13 | 公開日 | 2016-06-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural basis of adhesive binding by desmocollins and desmogleins. Proc.Natl.Acad.Sci.USA, 113, 2016
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2J0V
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![BU of 2j0v by Molmil](/molmil-images/mine/2j0v) | The crystal structure of Arabidopsis thaliana RAC7-ROP9: the first RAS superfamily GTPase from the plant kingdom | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAC-LIKE GTP-BINDING PROTEIN ARAC7 | 著者 | Sormo, C.G, Leiros, I, Brembu, T, Winge, P, Os, V, Bones, A.M. | 登録日 | 2006-08-07 | 公開日 | 2006-10-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | The Crystal Structure of Arabidopsis Thaliana Rac7/Rop9: The First Ras Superfamily Gtpase from the Plant Kingdom. Phytochemistry, 67, 2006
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2IXG
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![BU of 2ixg by Molmil](/molmil-images/mine/2ixg) | Crystal structure of the ATPase domain of TAP1 with ATP (S621A, G622V, D645N mutant) | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL | 著者 | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | 登録日 | 2006-07-08 | 公開日 | 2006-10-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter. Mol.Cell, 24, 2001
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5ER2
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![BU of 5er2 by Molmil](/molmil-images/mine/5er2) | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme | 分子名称: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN | 著者 | Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L. | 登録日 | 1991-01-02 | 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 | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme. EMBO J., 8, 1989
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5ESG
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![BU of 5esg by Molmil](/molmil-images/mine/5esg) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole | 分子名称: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | 登録日 | 2015-11-16 | 公開日 | 2016-11-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | 主引用文献 | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
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5EKN
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![BU of 5ekn by Molmil](/molmil-images/mine/5ekn) | Crystal structure of MAPK13 complex with inhibitor | 分子名称: | 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea, Mitogen-activated protein kinase 13 | 著者 | Brett, T.J, Miller, C.A, Yurtsever, Z. | 登録日 | 2015-11-03 | 公開日 | 2016-07-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.594 Å) | 主引用文献 | First comprehensive structural and biophysical analysis of MAPK13 inhibitors targeting DFG-in and DFG-out binding modes. Biochim.Biophys.Acta, 1860, 2016
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3F8A
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![BU of 3f8a by Molmil](/molmil-images/mine/3f8a) | Crystal Structure of the R132K:R111L:L121E:R59W Mutant of Cellular Retinoic Acid-Binding Protein Type II Complexed with C15-aldehyde (a retinal analog) at 1.95 Angstrom resolution. | 分子名称: | 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular retinoic acid-binding protein 2 | 著者 | Jia, X, Geiger, J.H. | 登録日 | 2008-11-12 | 公開日 | 2009-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Probing Wavelength Regulation with an Engineered Rhodopsin Mimic and a C15-Retinal Analogue Chempluschem, 77, 2012
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3F7R
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5EM4
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![BU of 5em4 by Molmil](/molmil-images/mine/5em4) | Structure of CYP2B4 F244W in a ligand free conformation | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Shah, M.B, Stout, C.D, Halpert, J.R. | 登録日 | 2015-11-05 | 公開日 | 2016-03-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations. Biochemistry, 55, 2016
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5EMS
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![BU of 5ems by Molmil](/molmil-images/mine/5ems) | Crystal Structure of an iodinated insulin analog | 分子名称: | CHLORIDE ION, Insulin, PHENOL, ... | 著者 | Lawrence, M.C, Pandyarajan, V, Wan, Z, Weiss, M.A. | 登録日 | 2015-11-06 | 公開日 | 2016-11-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Extending Halogen-based Medicinal Chemistry to Proteins: IODO-INSULIN AS A CASE STUDY. J. Biol. Chem., 291, 2016
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5ENK
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![BU of 5enk by Molmil](/molmil-images/mine/5enk) | Compound 18 | 分子名称: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Lewis, H.A. | 登録日 | 2015-11-09 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
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2IIY
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