5X6U
 
 | | Crystal structure of human heteropentameric complex | | Descriptor: | Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ... | | Authors: | Yonehara, R, Nada, S, Nakai, T, Nakai, M, Kitamura, A, Ogawa, A, Nakatsumi, H, Nakayama, K.I, Li, S, Standley, D.M, Yamashita, E, Nakagawa, A, Okada, M. | | Deposit date: | 2017-02-23 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the assembly of the Ragulator-Rag GTPase complex.
Nat Commun, 8, 2017
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2OVR
 | | Structure of the Skp1-Fbw7-CyclinEdegN complex | | Descriptor: | F-box/WD repeat protein 7, S-phase kinase-associated protein 1A, SULFATE ION, ... | | Authors: | Hao, B, Oehlmann, S, Sowa, M.E, Harper, J.W, Pavletich, N.P. | | Deposit date: | 2007-02-14 | | Release date: | 2007-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of a Fbw7-Skp1-Cyclin E Complex: Multisite-Phosphorylated Substrate Recognition by SCF Ubiquitin Ligases
Mol.Cell, 26, 2007
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1XO2
 | | Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin | | Descriptor: | 3,7,3',4'-TETRAHYDROXYFLAVONE, Cell division protein kinase 6, Cyclin | | Authors: | Lu, H.S, Chang, D.J, Baratte, B, Meijer, L, Schulze-Gahmen, U. | | Deposit date: | 2004-10-05 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of a Human Cyclin-Dependent Kinase 6 Complex with a Flavonol Inhibitor, Fisetin.
J.Med.Chem., 48, 2005
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1ZFS
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1YZ5
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3NTP
 | | Human Pin1 complexed with reduced amide inhibitor | | Descriptor: | (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Zhang, Y. | | Deposit date: | 2010-07-05 | | Release date: | 2012-01-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state.
Biochemistry, 50, 2011
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4I3Z
 | | Structure of pCDK2/CyclinA bound to ADP and 2 Magnesium ions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Cyclin-A2, ... | | Authors: | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks, C.L, Young, M.A. | | Deposit date: | 2012-11-27 | | Release date: | 2012-12-26 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Price To Be Paid for Two-Metal Catalysis: Magnesium Ions That Accelerate Chemistry Unavoidably Limit Product Release from a Protein Kinase
J.Am.Chem.Soc., 134, 2012
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3OOB
 | | Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate | | Descriptor: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Urusova, D.V, Shim, J.-H, Kim, D.-J, Jung, S.K, Zykova, T.A, Bode, A.M, Dong, Z. | | Deposit date: | 2010-08-30 | | Release date: | 2011-08-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Epigallocatechin-gallate suppresses tumorigenesis by directly targeting Pin1.
Cancer Prev Res (Phila), 4, 2011
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3P1S
 | | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer fusicoccin A | | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ... | | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | | Deposit date: | 2010-09-30 | | Release date: | 2011-10-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
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4II5
 | | Structure of PCDK2/CYCLINA bound to ADP and 1 MAGNESIUM ION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks III, C.L, Young, M.A. | | Deposit date: | 2012-12-19 | | Release date: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Price to be paid for two-metal catalysis: Magnesium ions that accelerate chemistry unavoidably limit product release from a PROTEIN KINASE
J.Am.Chem.Soc., 134, 2012
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3P1P
 | | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide | | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ... | | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | | Deposit date: | 2010-09-30 | | Release date: | 2011-10-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
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3P1Q
 | | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 Peptide and stabilizer fusicoccin A | | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ... | | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | | Deposit date: | 2010-09-30 | | Release date: | 2011-10-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
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4IEA
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4IWQ
 | | Crystal structure and mechanism of activation of TBK1 | | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | | Authors: | Panne, D, Larabi, A. | | Deposit date: | 2013-01-24 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
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3P1O
 | | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilisator Fusicoccin A | | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ... | | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | | Deposit date: | 2010-09-30 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
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4IWO
 | | Crystal structure and mechanism of activation of TBK1 | | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | | Authors: | Panne, D, Larabi, A. | | Deposit date: | 2013-01-24 | | Release date: | 2013-03-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
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3P1N
 | | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide | | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ... | | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | | Deposit date: | 2010-09-30 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
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1NOU
 | | Native human lysosomal beta-hexosaminidase isoform B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
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4J1R
 | | Crystal Structure of GSK3b in complex with inhibitor 15R | | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-01 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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4JD2
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3Q35
 | | Structure of the Rtt109-AcCoA/Vps75 complex and implications for chaperone-mediated histone acetylation | | Descriptor: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, Histone acetyltransferase, ... | | Authors: | Tang, Y, Yuan, H, Meeth, K, Marmorstein, R. | | Deposit date: | 2010-12-21 | | Release date: | 2011-02-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
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4JNM
 | | Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | | Descriptor: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | | Deposit date: | 2013-03-15 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties.
Bioorg.Med.Chem.Lett., 23, 2013
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3Q3B
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4IM2
 | | Structure of Tank-Binding Kinase 1 | | Descriptor: | CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1 | | Authors: | Tu, D, Eck, M.J. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5001 Å) | | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
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4IM0
 | | Structure of Tank-Binding Kinase 1 | | Descriptor: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1 | | Authors: | Tu, D, Eck, M.J. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4001 Å) | | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
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