4LXA
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![BU of 4lxa by Molmil](/molmil-images/mine/4lxa) | Crystal Structure of Human Beta Secretase in Complex with Compound 11a | 分子名称: | (1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1, GLYCEROL, ... | 著者 | Rondeau, J.M, Bourgier, E. | 登録日 | 2013-07-29 | 公開日 | 2013-08-28 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides. Bioorg.Med.Chem.Lett., 23, 2013
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4LXV
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![BU of 4lxv by Molmil](/molmil-images/mine/4lxv) | Crystal Structure of the Hemagglutinin from a H1N1pdm A/WASHINGTON/5/2011 virus | 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, Hemagglutinin | 著者 | Yang, H, Chang, J.C, Guo, Z, Carney, P.J, Shore, D.A, Donis, R.O, Cox, N.J, Villanueva, J.M, Klimov, A.I, Stevens, J. | 登録日 | 2013-07-30 | 公開日 | 2014-02-26 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Stability of Influenza A(H1N1)pdm09 Virus Hemagglutinins. J.Virol., 88, 2014
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2RH2
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![BU of 2rh2 by Molmil](/molmil-images/mine/2rh2) | High Resolution DHFR R-67 | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Dihydrofolate reductase type 2 | 著者 | Krahn, J.M, London, R.E. | 登録日 | 2007-10-05 | 公開日 | 2008-06-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (0.96 Å) | 主引用文献 | Crystal Structure of a Type II Dihydrofolate Reductase Catalytic Ternary Complex Biochemistry, 46, 2007
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4M0A
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![BU of 4m0a by Molmil](/molmil-images/mine/4m0a) | Human DNA Polymerase Mu post-catalytic complex | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA-directed DNA/RNA polymerase mu, ... | 著者 | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | 登録日 | 2013-08-01 | 公開日 | 2014-02-05 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Sustained active site rigidity during synthesis by human DNA polymerase mu. Nat.Struct.Mol.Biol., 21, 2014
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4M21
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![BU of 4m21 by Molmil](/molmil-images/mine/4m21) | Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C | 分子名称: | 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase | 著者 | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | 登録日 | 2013-08-05 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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2RK2
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![BU of 2rk2 by Molmil](/molmil-images/mine/2rk2) | DHFR R-67 complexed with NADP | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Dihydrofolate reductase type 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Krahn, J.M, London, R.E. | 登録日 | 2007-10-16 | 公開日 | 2008-06-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of a type II dihydrofolate reductase catalytic ternary complex. Biochemistry, 46, 2007
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2RK9
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![BU of 2rk9 by Molmil](/molmil-images/mine/2rk9) | The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase superfamily member from Vibrio splendidus 12B01 | 分子名称: | Glyoxalase/bleomycin resistance protein/dioxygenase | 著者 | Tyagi, R, Eswaramoorthy, S, Sauder, J.M, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2007-10-16 | 公開日 | 2007-10-30 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase superfamily member from Vibrio splendidus 12B01. To be Published
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4LYF
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![BU of 4lyf by Molmil](/molmil-images/mine/4lyf) | Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide | 著者 | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | 登録日 | 2013-07-31 | 公開日 | 2013-11-27 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.568 Å) | 主引用文献 | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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5IH3
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![BU of 5ih3 by Molmil](/molmil-images/mine/5ih3) | Crystal structure of mouse CARM1 in complex with SAH at 1.8 Angstroms resolution | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-02-29 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with SAH at 1.8 Angstroms resolution To Be Published
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2UYL
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![BU of 2uyl by Molmil](/molmil-images/mine/2uyl) | Crystal structure of a monoclonal antibody directed against an antigenic determinant common to Ogawa and Inaba serotypes of Vibrio cholerae O1 | 分子名称: | MONOCLONAL ANTIBODY F-22-30 | 著者 | Ahmed, F, Haouz, A, Nato, F, Fournier, J.M, Alzari, P.M. | 登録日 | 2007-04-10 | 公開日 | 2008-05-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of a Monoclonal Antibody Directed Against an Antigenic Determinant Common to Ogawa and Inaba Serotypes of Vibrio Cholerae O1. Proteins, 70, 2008
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5ISG
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![BU of 5isg by Molmil](/molmil-images/mine/5isg) | Crystal structure of mouse CARM1 in complex with inhibitor SA0707 | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.418 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0707 To Be Published
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5IKW
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![BU of 5ikw by Molmil](/molmil-images/mine/5ikw) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | 分子名称: | BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | 著者 | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | 登録日 | 2016-03-04 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A To Be Published
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4M1W
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![BU of 4m1w by Molmil](/molmil-images/mine/4m1w) | Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, MAGNESIUM ION, ... | 著者 | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | 登録日 | 2013-08-04 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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2V6H
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![BU of 2v6h by Molmil](/molmil-images/mine/2v6h) | Crystal structure of the C1 domain of cardiac myosin binding protein-C | 分子名称: | MYOSIN-BINDING PROTEIN C, CARDIAC-TYPE | 著者 | Govata, L, Carpenter, L, Da Fonseca, P.C.A, Helliwell, J.R, Rizkallah, P.J, Flashman, E, Chayen, N.E, Redwood, C, Squire, J.M. | 登録日 | 2007-07-18 | 公開日 | 2008-07-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal structure of the C1 domain of cardiac myosin binding protein-C: implications for hypertrophic cardiomyopathy. J. Mol. Biol., 378, 2008
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5ISB
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![BU of 5isb by Molmil](/molmil-images/mine/5isb) | Crystal structure of mouse CARM1 in complex with inhibitor SA0435 | 分子名称: | 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0435 To Be Published
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2VVU
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![BU of 2vvu by Molmil](/molmil-images/mine/2vvu) | Aminopyrrolidine Factor Xa inhibitor | 分子名称: | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | 登録日 | 2008-06-11 | 公開日 | 2009-07-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2X6A
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![BU of 2x6a by Molmil](/molmil-images/mine/2x6a) | Potassium Channel from Magnetospirillum Magnetotacticum | 分子名称: | ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL 10, PHOSPHOCHOLINE, POTASSIUM ION | 著者 | Clarke, O.B, Caputo, A.T, Hill, A.P, Vandenberg, J.I, Smith, B.J, Gulbis, J.M. | 登録日 | 2010-02-15 | 公開日 | 2010-06-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels. Cell(Cambridge,Mass.), 141, 2010
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5ISF
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![BU of 5isf by Molmil](/molmil-images/mine/5isf) | Crystal structure of mouse CARM1 in complex with inhibitor SA0705 | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0705 To Be Published
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5IS6
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![BU of 5is6 by Molmil](/molmil-images/mine/5is6) | Crystal structure of mouse CARM1 in complex with Sinefungin at 2.0 Angstroms resolution | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with Sinefungin at 2.0 Angstroms resolution To Be Published
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5ISD
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![BU of 5isd by Molmil](/molmil-images/mine/5isd) | Crystal structure of mouse CARM1 in complex with inhibitor SA0592 | 分子名称: | 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0592 To Be Published
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5IS9
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![BU of 5is9 by Molmil](/molmil-images/mine/5is9) | Crystal structure of mouse CARM1 in complex with inhibitor SA0375 | 分子名称: | (2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name), 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0375 To Be Published
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5ISA
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![BU of 5isa by Molmil](/molmil-images/mine/5isa) | Crystal structure of mouse CARM1 in complex with inhibitor SA0401 | 分子名称: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | 著者 | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | 登録日 | 2016-03-15 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of mouse CARM1 in complex with inhibitor SA0401 To Be Published
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5IWD
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![BU of 5iwd by Molmil](/molmil-images/mine/5iwd) | HCMV DNA polymerase subunit UL44 complex with a small molecule | 分子名称: | 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one, DNA polymerase processivity factor | 著者 | Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J. | 登録日 | 2016-03-22 | 公開日 | 2016-11-30 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions. ACS Infect Dis, 3, 2017
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2X4F
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![BU of 2x4f by Molmil](/molmil-images/mine/2x4f) | The Crystal Structure of the human myosin light chain kinase LOC340156. | 分子名称: | 1,2-ETHANEDIOL, 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine, MYOSIN LIGHT CHAIN KINASE FAMILY MEMBER 4, ... | 著者 | Muniz, J.R.C, Mahajan, P, Rellos, P, Fedorov, O, Shrestha, B, Wang, J, Elkins, J.M, Daga, N, Cocking, R, Chaikuad, A, Krojer, T, Ugochukwu, E, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Gileadi, O, Knapp, S. | 登録日 | 2010-01-29 | 公開日 | 2010-02-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | The Crystal Structure of the Human Myosin Light Chain Kinase Loc340156 To be Published
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4L9W
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![BU of 4l9w by Molmil](/molmil-images/mine/4l9w) | Crystal Structure of H-Ras G12C, GMPPNP-bound | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | 著者 | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | 登録日 | 2013-06-18 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.952 Å) | 主引用文献 | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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