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4R1Y
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BU of 4r1y by Molmil
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitor
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate, Hepatocyte growth factor receptor
著者Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O.
登録日2014-08-08
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4R1V
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BU of 4r1v by Molmil
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors
分子名称: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
著者Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O.
登録日2014-08-07
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5ANS
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BU of 5ans by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
分子名称: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANT
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BU of 5ant by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
分子名称: 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
1WQ1
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BU of 1wq1 by Molmil
RAS-RASGAP COMPLEX
分子名称: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, H-RAS, ...
著者Scheffzek, K, Ahmadian, M.R, Kabsch, W, Wiesmueller, L, Lautwein, A, Schmitz, F, Wittinghofer, A.
登録日1997-07-03
公開日1998-07-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Ras-RasGAP complex: structural basis for GTPase activation and its loss in oncogenic Ras mutants.
Science, 277, 1997
1WER
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BU of 1wer by Molmil
RAS-GTPASE-ACTIVATING DOMAIN OF HUMAN P120GAP
分子名称: P120GAP
著者Scheffzek, K, Lautwein, A, Kabsch, W, Ahmadian, M.R, Wittinghofer, A.
登録日1996-11-20
公開日1997-12-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the GTPase-activating domain of human p120GAP and implications for the interaction with Ras.
Nature, 384, 1996
2YGV
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BU of 2ygv by Molmil
Conserved N-terminal domain of the yeast Histone Chaperone Asf1 in complex with the C-terminal fragment of Rad53
分子名称: GLYCEROL, HISTONE CHAPERONE ASF1, SERINE/THREONINE-PROTEIN KINASE RAD53, ...
著者Jiao, Y, Seeger, K, Murciano, B, Ledu, M.H, Charbonnier, J.B, Legrand, P, Lautrette, A, Gaubert, A, Mousson, F, Guerois, R, Mann, C, Ochsenbein, F.
登録日2011-04-21
公開日2012-02-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Surprising Complexity of the Asf1 Histone Chaperone-Rad53 Kinase Interaction
Proc.Natl.Acad.Sci.USA, 109, 2012
5FYA
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BU of 5fya by Molmil
Cubic crystal of the native PlpD
分子名称: PATATIN-LIKE PROTEIN, PLPD
著者Vinicius da Mata Madeira, P, Zouhir, S, Basso, P, Neves, D, Laubier, A, Salacha, R, Bleves, S, Faudry, E, Contreras-Martel, C, Dessen, A.
登録日2016-03-04
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Structural Basis of Lipid Targeting and Destruction by the Type V Secretion System of Pseudomonas Aeruginosa.
J.Mol.Biol., 428, 2016
5FQU
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BU of 5fqu by Molmil
Orthorhombic crystal structure of of PlpD (selenomethionine derivative)
分子名称: AZIDE ION, PATATIN-LIKE PROTEIN, PLPD, ...
著者Vinicius da Mata Madeira, P, Zouhir, S, Basso, P, Neves, D, Laubier, A, Salacha, R, Bleves, S, Faudry, E, Contreras-Martel, C, Dessen, A.
登録日2015-12-14
公開日2016-04-06
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural Basis of Lipid Targeting and Destruction by the Type V Secretion System of Pseudomonas Aeruginosa.
J.Mol.Biol., 428, 2016
7PKR
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BU of 7pkr by Molmil
Vault structure in primmed conformation
分子名称: Major vault protein
著者Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N.
登録日2021-08-26
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
7PKZ
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BU of 7pkz by Molmil
Vault structure in committed conformation
分子名称: Major vault protein
著者Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N.
登録日2021-08-27
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (9.8 Å)
主引用文献Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
7PKY
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BU of 7pky by Molmil
Half-vault structure
分子名称: Major vault protein
著者Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N.
登録日2021-08-27
公開日2022-03-23
実験手法ELECTRON MICROSCOPY (7.9 Å)
主引用文献Symmetry disruption commits vault particles to disassembly.
Sci Adv, 8, 2022
1PLK
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BU of 1plk by Molmil
CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS
分子名称: C-H-RAS P21 PROTEIN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S.
登録日1994-03-13
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
1PLJ
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BU of 1plj by Molmil
CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS
分子名称: C-H-RAS P21 PROTEIN, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION
著者Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S.
登録日1994-03-13
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
1PLL
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BU of 1pll by Molmil
CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS
分子名称: C-H-RAS P21 PROTEIN, GUANOSINE-5'-DIPHOSPHATE
著者Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S.
登録日1994-03-13
公開日1994-07-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
3LW0
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BU of 3lw0 by Molmil
IGF-1RK in complex with ligand MSC1609119A-1
分子名称: 3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide, GLYCEROL, Insulin-like growth factor 1 receptor
著者Graedler, U, Heinrich, T, Boettcher, H, Blaukat, A, Shutes, A, Askew, B.
登録日2010-02-23
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Allosteric IGF-1R Inhibitors.
Acs Med.Chem.Lett., 1, 2010
2VPP
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BU of 2vpp by Molmil
Drosophila melanogaster deoxyribonucleoside kinase successfully activates gemcitabine in transduced cancer cell lines
分子名称: DEOXYNUCLEOSIDE KINASE, GEMCITABINE, SULFATE ION
著者Knecht, W, Mikkelsen, N.E, Clausen, A, Willer, M, Gojkovic, Z, Piskur, J.
登録日2008-03-03
公開日2009-03-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Drosophila Melanogaster Deoxyribonucleoside Kinase Activates Gemcitabine.
Biochem.Biophys.Res.Commun., 382, 2009
2KXC
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BU of 2kxc by Molmil
1H, 13C, and 15N Chemical Shift Assignments for IRTKS-SH3 and EspFu-R47 complex
分子名称: Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1, EspF-like protein
著者Aitio, O, Hellman, M, Kazlauskas, A, Vingadassalom, D.F, Leong, J.M, Saksela, K, Permi, P.
登録日2010-04-30
公開日2010-11-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Recognition of tandem PxxP motifs as a unique Src homology 3-binding mode triggers pathogen-driven actin assembly
Proc.Natl.Acad.Sci.USA, 107, 2010
1TEY
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BU of 1tey by Molmil
NMR structure of human histone chaperone, ASF1A
分子名称: ASF1 anti-silencing function 1 homolog A
著者Mousson, F, Lautrette, A, Thuret, J.Y, Agez, M, Amigues, B, Courbeyrette, R, Neumann, J.M, Guerois, R, Mann, C, Ochsenbein, F.
登録日2004-05-26
公開日2005-04-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural basis for the interaction of Asf1 with histone H3 and its functional implications.
Proc.Natl.Acad.Sci.Usa, 102, 2005
5HLM
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BU of 5hlm by Molmil
Crystal structure of avidin complex with a ferrocene biotin derivative
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin, [(1,2,3,4,5-eta)-cyclopentadienyl]{(1,2,3,4,5-eta)-1-[1-hydroxy-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentyl]cyclopentadienyl}iron
著者Strzelczyk, P, Bujacz, G.
登録日2016-01-15
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ferrocene-Biotin Conjugates: Synthesis, Structure, Cytotoxic Activity and Interaction with Avidin
Chempluschem, 81, 2016
4TSX
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BU of 4tsx by Molmil
HIV-1 Integrase Catalytic Core Domain Mutant Complexed with Allosteric Inhibitor
分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2014-06-19
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The mechanism of H171T resistance reveals the importance of N -protonated His171 for the binding of allosteric inhibitor BI-D to HIV-1 integrase.
Retrovirology, 11, 2014
5G55
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BU of 5g55 by Molmil
3-Quinoline Carboxamides inhibitors of Pi3K
分子名称: 6-cyano-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
著者Edman, K, Phillips, C.
登録日2016-05-20
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (Atm) Kinase.
J.Med.Chem., 59, 2016
5ANV
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BU of 5anv by Molmil
MTH1 in complex with compound 15
分子名称: 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Read, J.A, Breed, J.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANW
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BU of 5anw by Molmil
MTH1 in complex with compound 24
分子名称: 2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Read, J.A, Breed, J.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANU
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MTH1 in complex with compound 15
分子名称: 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, DIMETHYL SULFOXIDE
著者Read, J.A, Breed, J.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016

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