3RN0
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3RQO
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![BU of 3rqo by Molmil](/molmil-images/mine/3rqo) | Structure of the endothelial nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R/1R,2S)-2-(3-Clorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | 著者 | Li, H, Delker, S.L, Poulos, T.L. | 登録日 | 2011-04-28 | 公開日 | 2012-05-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 21, 2013
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6SVP
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![BU of 6svp by Molmil](/molmil-images/mine/6svp) | Crystal structure of human GFAT-1 in complex with Glucose-6-Phosphate, L-Glu, and UDP-GlcNAc | 分子名称: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1, ... | 著者 | Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. | 登録日 | 2019-09-18 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.531 Å) | 主引用文献 | Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
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6J3B
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![BU of 6j3b by Molmil](/molmil-images/mine/6j3b) | Crystal structure of human DHODH in complex with inhibitor 1289 | 分子名称: | (6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one, ACETATE ION, CHLORIDE ION, ... | 著者 | Yu, Y, Chen, Q. | 登録日 | 2019-01-04 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A novel series of human dihydroorotate dehydrogenase inhibitors discovered by in vitro screening: inhibition activity and crystallographic binding mode. Febs Open Bio, 9, 2019
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3R2B
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![BU of 3r2b by Molmil](/molmil-images/mine/3r2b) | MK2 kinase bound to Compound 5b | 分子名称: | 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one, MAP kinase-activated protein kinase 2 | 著者 | Oubrie, A, van Zeeland, M, Versteegh, J. | 登録日 | 2011-03-14 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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6SIM
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![BU of 6sim by Molmil](/molmil-images/mine/6sim) | SAD structure of Hen Egg White Lysozyme recovered by inverse beam geometry data collection and univariate analysis | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Garcia-Bonete, M.J, Katona, G. | 登録日 | 2019-08-10 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (1.61018026 Å) | 主引用文献 | Bayesian machine learning improves single-wavelength anomalous diffraction phasing. Acta Crystallogr.,Sect.A, 75, 2019
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3ER3
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![BU of 3er3 by Molmil](/molmil-images/mine/3er3) | The active site of aspartic proteinases | 分子名称: | 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN | 著者 | Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, 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 (2 Å) | 主引用文献 | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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2V3E
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![BU of 2v3e by Molmil](/molmil-images/mine/2v3e) | acid-beta-glucosidase with N-nonyl-deoxynojirimycin | 分子名称: | (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ... | 著者 | Brumshtein, B, Greenblatt, H.M, Butters, T.D, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | 登録日 | 2007-06-17 | 公開日 | 2007-08-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structures of Complexes of N-Butyl- and N-Nonyl-Deoxynojirimycin Bound to Acid Beta-Glucosidase: Insights Into the Mechanism of Chemical Chaperone Action in Gaucher Disease. J.Biol.Chem., 282, 2007
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3REY
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![BU of 3rey by Molmil](/molmil-images/mine/3rey) | Thermostabilised adenosine A2A receptor in complex with XAC | 分子名称: | Adenosine receptor A2a, N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide | 著者 | Dore, A.S, Robertson, N, Errey, J.C, Ng, I, Hollenstein, K, Tehan, B, Hurrell, E, Bennett, K, Congreve, M, Magnani, F, Tate, C.G, Weir, M, Marshall, F.H. | 登録日 | 2011-04-05 | 公開日 | 2011-09-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.309 Å) | 主引用文献 | Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine Structure, 19, 2011
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6J72
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![BU of 6j72 by Molmil](/molmil-images/mine/6j72) | Crystal structure of IniA from Mycobacterium smegmatis with GTP bound | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Isoniazid inducible gene protein IniA, L(+)-TARTARIC ACID, ... | 著者 | Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H. | 登録日 | 2019-01-16 | 公開日 | 2019-09-11 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mycobacterial dynamin-like protein IniA mediates membrane fission. Nat Commun, 10, 2019
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3RNE
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![BU of 3rne by Molmil](/molmil-images/mine/3rne) | Structure of the Toluene/o-Xylene Monooxygenase Hydroxylase T201S/I276E Double Mutant | 分子名称: | FE (III) ION, HYDROXIDE ION, Toluene o-xylene monooxygenase component | 著者 | Gucinski, G, Song, W.J, Lippard, S.J, Sazinsky, M.H. | 登録日 | 2011-04-22 | 公開日 | 2011-08-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Tracking a defined route for O2 migration in a dioxygen-activating diiron enzyme. Proc.Natl.Acad.Sci.USA, 108, 2011
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2VF3
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![BU of 2vf3 by Molmil](/molmil-images/mine/2vf3) | Aquifex aeolicus IspE in complex with ligand | 分子名称: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, BROMIDE ION, CHLORIDE ION, ... | 著者 | Alphey, M.S, Hunter, W.N. | 登録日 | 2007-10-30 | 公開日 | 2008-11-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Inhibitors of the Kinase Ispe: Structure-Activity Relationships and Co-Crystal Structure Analysis. Org.Biomol.Chem., 6, 2008
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6SXE
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![BU of 6sxe by Molmil](/molmil-images/mine/6sxe) | Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Endoxifen (2.6 Angstrom resolution) | 分子名称: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, Endoxifen, HEGA-10, ... | 著者 | Sula, A, Hollingworth, D, Wallace, B.A. | 登録日 | 2019-09-25 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A tamoxifen receptor within a voltage-gated sodium channel. Mol.Cell, 81, 2021
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6SGI
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![BU of 6sgi by Molmil](/molmil-images/mine/6sgi) | Nek2 kinase bound to inhibitor 96 | 分子名称: | 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, Serine/threonine-protein kinase Nek2 | 著者 | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | 登録日 | 2019-08-05 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
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2XAS
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![BU of 2xas by Molmil](/molmil-images/mine/2xas) | Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e) | 分子名称: | 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A. | 登録日 | 2010-03-31 | 公開日 | 2010-05-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2. J.Am.Chem.Soc., 132, 2010
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2X4T
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![BU of 2x4t by Molmil](/molmil-images/mine/2x4t) | Crystal structure of MHC CLass I HLA-A2.1 bound to a Peiodate- cleavable peptide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 65 KDA PHOSPHOPROTEIN, BETA-2-MICROGLOBULIN, ... | 著者 | Rodenko, B, Toebes, M, Celie, P.H.N, Perrakis, A, Schumacher, T.N.M, Ovaa, H. | 登録日 | 2010-02-02 | 公開日 | 2010-03-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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6JGY
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![BU of 6jgy by Molmil](/molmil-images/mine/6jgy) | Crystal structure of LASV-GP2 in a post fusion conformation | 分子名称: | Pre-glycoprotein polyprotein GP complex | 著者 | Zhu, Y, Zhang, X, Chen, B, Ye, S, Zhang, R. | 登録日 | 2019-02-15 | 公開日 | 2019-09-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.389 Å) | 主引用文献 | Crystal Structure of Refolding Fusion Core of Lassa Virus GP2 and Design of Lassa Virus Fusion Inhibitors. Front Microbiol, 10, 2019
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2X4Q
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![BU of 2x4q by Molmil](/molmil-images/mine/2x4q) | Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | 著者 | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | 登録日 | 2010-02-02 | 公開日 | 2010-03-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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2X70
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![BU of 2x70 by Molmil](/molmil-images/mine/2x70) | Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | 著者 | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | 登録日 | 2010-02-22 | 公開日 | 2010-12-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals. J.Am.Chem.Soc., 131, 2009
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2X4P
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![BU of 2x4p by Molmil](/molmil-images/mine/2x4p) | Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | 著者 | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | 登録日 | 2010-02-02 | 公開日 | 2010-03-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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6SVQ
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![BU of 6svq by Molmil](/molmil-images/mine/6svq) | Crystal structure of human GFAT-1 G461E after UDP-GlcNAc soaking | 分子名称: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Glutamine--fructose-6-phosphate-aminotransferase [isomerizing] 1 | 著者 | Ruegenberg, S, Horn, M, Pichlo, C, Allmeroth, K, Baumann, U, Denzel, M.S. | 登録日 | 2019-09-18 | 公開日 | 2020-01-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.717 Å) | 主引用文献 | Loss of GFAT-1 feedback regulation activates the hexosamine pathway that modulates protein homeostasis. Nat Commun, 11, 2020
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2WLT
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3EWD
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![BU of 3ewd by Molmil](/molmil-images/mine/3ewd) | Crystal structure of adenosine deaminase mutant (delta Asp172) from Plasmodium vivax in complex with MT-coformycin | 分子名称: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION | 著者 | Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C. | 登録日 | 2008-10-14 | 公開日 | 2009-09-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases. Biochemistry, 48, 2009
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6SXF
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![BU of 6sxf by Molmil](/molmil-images/mine/6sxf) | Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Tamoxifen (2.8 Angstrom resolution) | 分子名称: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, DODECAETHYLENE GLYCOL, HEGA-10, ... | 著者 | Sula, A, Hollingworth, D, Wallace, B.A. | 登録日 | 2019-09-25 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.839 Å) | 主引用文献 | A tamoxifen receptor within a voltage-gated sodium channel. Mol.Cell, 81, 2021
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6SX5
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![BU of 6sx5 by Molmil](/molmil-images/mine/6sx5) | Full length Mutant Open-form Sodium Channel NavMs | 分子名称: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | 著者 | Sula, A, Hollingworth, D, Wallace, B.A. | 登録日 | 2019-09-25 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A tamoxifen receptor within a voltage-gated sodium channel. Mol.Cell, 81, 2021
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