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3CMY
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BU of 3cmy by Molmil
Structure of a homeodomain in complex with DNA
分子名称: 1,2-ETHANEDIOL, 5'-D(*DAP*DCP*DAP*DTP*DAP*DAP*DP*DCP*DGP*DAP*DTP*DTP*DAP*DC)-3', 5'-D(*DTP*DGP*DTP*DAP*DAP*DTP*DCP*DGP*DAP*DTP*DTP*DAP*DTP*DG)-3', ...
著者Birrane, G, Ladias, J.A.A, Soni, A.
登録日2008-03-24
公開日2009-02-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for DNA Recognition by the Human PAX3 Homeodomain.
Biochemistry, 48, 2009
4IHL
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BU of 4ihl by Molmil
Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A
分子名称: (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ...
著者Molzan, M, Ottmann, C.
登録日2012-12-19
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
4OMT
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BU of 4omt by Molmil
Crystal structure of human muscle phosphofructokinase (dissociated homodimer)
分子名称: 6-phosphofructokinase, muscle type
著者Kloos, M, Straeter, N.
登録日2014-01-27
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Crystallization and preliminary crystallographic analysis of human muscle phosphofructokinase, the main regulator of glycolysis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
8TM7
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BU of 8tm7 by Molmil
Human NAMPT in complex with substrate NAM and small molecule activator NP-A3
分子名称: CHLORIDE ION, GLYCEROL, N-{2-[(4R)-2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide, ...
著者Ratia, K.M, Thatcher, G.R.
登録日2023-07-28
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Nicotinamide Phosphoribosyltransferase Positive Allosteric Modulators Attenuate Neuronal Oxidative Stress.
Acs Med.Chem.Lett., 15, 2024
3OW3
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BU of 3ow3 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
分子名称: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-09-17
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3T4N
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BU of 3t4n by Molmil
Structure of the regulatory fragment of Saccharomyces cerevisiae AMPK in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ...
著者Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmdit, M.C, Gamblin, S.J, Carling, D.
登録日2011-07-26
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Cell Metab, 14, 2011
3OW8
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BU of 3ow8 by Molmil
Crystal Structure of the WD repeat-containing protein 61
分子名称: UNKNOWN ATOM OR ION, WD repeat-containing protein 61
著者Tempel, W, Li, Z, Chao, X, Lam, R, Wernimont, A.K, He, H, Seitova, A, Pan, P.W, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-09-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
3SAY
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BU of 3say by Molmil
Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142
分子名称: (3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide, (4S)-2-METHYL-2,4-PENTANEDIOL, FORMIC ACID, ...
著者Mazanetz, M.P, Cheng, R.K.Y, Rowan, F, Laughton, C.A, Barker, J.J, Fischer, P.M.
登録日2011-06-03
公開日2012-06-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献Crystal structure of human glycogen synthase kinase 3 beta (GSK3b) in complex with inhibitor 142
To be Published
3COQ
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BU of 3coq by Molmil
Structural Basis for Dimerization in DNA Recognition by Gal4
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*DAP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DAP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DGP*DGP*DAP*DGP*DGP*DAP*DCP*DTP*DGP*DTP*DCP*DCP*DTP*DCP*DCP*DGP*DG)-3'), ...
著者Hong, M, Fitzgerald, M.X, Harper, S, Luo, C, Speicher, D.W.
登録日2008-03-29
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for dimerization in DNA recognition by gal4.
Structure, 16, 2008
3SMO
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BU of 3smo by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin J aglycone
分子名称: 14-3-3 protein sigma, Fusicoccin J aglycone, MAGNESIUM ION, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-06-28
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
3SW4
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BU of 3sw4 by Molmil
Crystal Structure of the CDK2 in complex with thiazolylpyrimidine inhibitor
分子名称: ACETATE ION, Cyclin-dependent kinase 2, N'-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-N,N-dimethylbenzene-1,4-diamine
著者Kang, Y.N, Stuckey, J.A.
登録日2011-07-13
公開日2012-08-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the CDK2 in complex with a thiazolylpyrimidine inhibitor
To be Published
8UHB
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BU of 8uhb by Molmil
Cryo-EM Structure of the Ro5256390-bound hTA1-Gs heterotrimer signaling complex
分子名称: (2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zilberg, G, Warren, A.L, Parpounas, A.K, Wacker, D.
登録日2023-10-08
公開日2024-01-10
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Molecular basis of human trace amine-associated receptor 1 activation.
Nat Commun, 15, 2024
3SP5
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BU of 3sp5 by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol
分子名称: 14-3-3 protein sigma, Cotylenol, MAGNESIUM ION, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-07-01
公開日2016-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem.Biol., 20, 2013
3SPR
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BU of 3spr by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A-THF, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-07-03
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
3CER
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BU of 3cer by Molmil
Crystal structure of the exopolyphosphatase-like protein Q8G5J2. Northeast Structural Genomics Consortium target BlR13
分子名称: Possible exopolyphosphatase-like protein, SULFATE ION
著者Kuzin, A.P, Su, M, Chen, Y, Neely, H, Seetharaman, J, Shastry, R, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-02-29
公開日2008-04-01
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the exopolyphosphatase-like protein Q8G5J2. Northeast Structural Genomics Consortium target BlR13.
To be Published
3SML
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BU of 3sml by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin A aglycone
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A aglycone, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-06-28
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
4PNJ
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BU of 4pnj by Molmil
Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Cohen, A, Gonzalez, A, Lam, W, Lyubimov, A, Sauter, N, Tsai, Y, Uervirojnangkoorn, M, Brunger, A, Soltis, M.
登録日2014-05-23
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Goniometer-based femtosecond crystallography with X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 111, 2014
8XN6
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BU of 8xn6 by Molmil
The Crystal Structure of GSK3b from Biortus.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glycogen synthase kinase-3 beta, ...
著者Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B.
登録日2023-12-29
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Crystal Structure of GSK3b from Biortus.
To Be Published
3QAM
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BU of 3qam by Molmil
Crystal Structure of Glu208Ala mutant of catalytic subunit of cAMP-dependent protein kinase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ...
著者Yang, J, Wu, J, Steichen, J, Taylor, S.S.
登録日2011-01-11
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold.
J.Mol.Biol., 415, 2012
3UD8
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BU of 3ud8 by Molmil
Crystal Structure Analysis of FGF1-Disaccharide(NI22) complex
分子名称: 2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, PHOSPHATE ION
著者Hung, S.-C, Shi, Z.
登録日2011-10-27
公開日2012-11-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Divergent synthesis of 48 heparan sulfate-based disaccharides and probing the specific sugar-fibroblast growth factor-1 interaction
J.Am.Chem.Soc., 134, 2012
4N9B
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BU of 4n9b by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.859 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4NM3
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BU of 4nm3 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
著者Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
登録日2013-11-14
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
3UKR
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BU of 3ukr by Molmil
Crystal structure of Bos taurus Arp2/3 complex with bound inhibitor CK-666
分子名称: 2-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ...
著者Nolen, B.J, Han, M.
登録日2011-11-09
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural characterization and computer-aided optimization of a small-molecule inhibitor of the Arp2/3 complex, a key regulator of the actin cytoskeleton.
Chemmedchem, 7, 2012
4NZL
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BU of 4nzl by Molmil
Extracellular proteins of Staphylococcus aureus inhibit the neutrophil serine proteases
分子名称: Neutrophil elastase, Uncharacterized protein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Stapels, D.A.C, von Koeckritz-Blickwede, M, Ramyar, K.X, Bischoff, M, Milder, F, Ruyken, M, Scheepmaker, L, McWhorter, W.J, Herrmann, M, van Kessel, K.P.M, Geisbrecht, B.V, Rooijakkers, S.H.M.
登録日2013-12-12
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Staphylococcus aureus secretes a unique class of neutrophil serine protease inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
3DBL
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BU of 3dbl by Molmil
Structural Dissection of a Gating Mechanism Preventing Misactivation of Ubiquitin by NEDD8's E1 (APPBP1-UBA3Arg190wt-NEDD8Ala72Gln)
分子名称: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ...
著者Souphron, J, Schulman, B.A.
登録日2008-06-01
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural dissection of a gating mechanism preventing misactivation of ubiquitin by NEDD8's E1.
Biochemistry, 47, 2008

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