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3R8V
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BU of 3r8v by Molmil
CDK2 in complex with inhibitor RC-1-135
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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
3R8Z
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BU of 3r8z by Molmil
CDK2 in complex with inhibitor RC-1-136
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R1Y
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BU of 3r1y by Molmil
CDK2 in complex with inhibitor KVR-1-134
分子名称: 1,2-ETHANEDIOL, 2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-11
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3RAI
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BU of 3rai by Molmil
CDK2 in complex with inhibitor KVR-1-160
分子名称: 1,2-ETHANEDIOL, 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-28
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R7Y
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BU of 3r7y by Molmil
CDK2 in complex with inhibitor KVR-2-88
分子名称: 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-23
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R8U
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BU of 3r8u by Molmil
CDK2 in complex with inhibitor RC-1-132
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3R9O
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BU of 3r9o by Molmil
CDK2 in complex with inhibitor RC-2-143
分子名称: 4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-25
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RK9
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BU of 3rk9 by Molmil
CDK2 in complex with inhibitor RC-2-74
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-17
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3OOB
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BU of 3oob by Molmil
Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate
分子名称: (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, ...
著者Urusova, D.V, Shim, J.-H, Kim, D.-J, Jung, S.K, Zykova, T.A, Bode, A.M, Dong, Z.
登録日2010-08-30
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Epigallocatechin-gallate suppresses tumorigenesis by directly targeting Pin1.
Cancer Prev Res (Phila), 4, 2011
3SMM
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BU of 3smm by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin J 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 (2 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
3SMK
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BU of 3smk by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenin A
分子名称: 14-3-3 protein sigma, Cotylenin A, 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 (2.1 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
3SMN
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BU of 3smn by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin A-THF
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE 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 (2 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
3OJ4
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BU of 3oj4 by Molmil
Crystal structure of the A20 ZnF4, ubiquitin and UbcH5A complex
分子名称: Tumor necrosis factor alpha-induced protein 3, Ubiquitin, Ubiquitin-conjugating enzyme E2 D1, ...
著者Bosanac, I, Hymowitz, S.G.
登録日2010-08-20
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Ubiquitin Binding to A20 ZnF4 Is Required for Modulation of NF-κB Signaling
Mol.Cell, 40, 2010
3T0L
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BU of 3t0l by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Ottmann, C.
登録日2011-07-20
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
3T0M
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BU of 3t0m by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: (2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Thiel, P, Ottmann, C.
登録日2011-07-20
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
3SQQ
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BU of 3sqq by Molmil
CDK2 in complex with inhibitor RC-3-96
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-07-06
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 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
3T9Q
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Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis (Mn presoaked)
分子名称: MANGANESE (II) ION, Stage II sporulation protein E, beta-D-gulopyranose
著者Levdikov, V.M, Blagova, E.V, Wilkinson, A.J.
登録日2011-08-03
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure of the phosphatase domain of the cell fate determinant SpoIIE from Bacillus subtilis.
J.Mol.Biol., 415, 2012
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
1AU7
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BU of 1au7 by Molmil
PIT-1 MUTANT/DNA COMPLEX
分子名称: CONSENSUS DNA 25-MER, DNA (5'-D(*CP*TP*TP*CP*CP*TP*CP*AP*TP*GP*TP*AP*TP*AP*TP*AP*C P*AP*TP*GP*AP*GP* GP*A)-3'), PROTEIN PIT-1
著者Jacobson, E.M, Li, P, Leon-Del-Rio, A, Rosenfeld, M.G, Aggarwal, A.K.
登録日1997-09-12
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of Pit-1 POU domain bound to DNA as a dimer: unexpected arrangement and flexibility.
Genes Dev., 11, 1997
2Q5A
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BU of 2q5a by Molmil
human Pin1 bound to L-PEPTIDE
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE, Five residue peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Noel, J.P, Zhang, Y.
登録日2007-05-31
公開日2007-06-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for high-affinity peptide inhibition of human Pin1.
Acs Chem.Biol., 2, 2007
1AX8
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BU of 1ax8 by Molmil
Human obesity protein, leptin
分子名称: OBESITY PROTEIN
著者Zhang, F, Beals, J.M, Briggs, S.L, Clawson, D.K, Wery, J.-P, Schevitz, R.W.
登録日1997-10-31
公開日1998-11-25
最終更新日2012-05-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the obese protein leptin-E100.
Nature, 387, 1997
4BFP
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BU of 4bfp by Molmil
Crystal structure of human tankyrase 2 in complex with WIKI4
分子名称: 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione, SULFATE ION, TANKYRASE-2, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-03-21
公開日2013-06-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis and Selectivity of Tankyrase Inhibition by a Wnt Signaling Inhibitor Wiki4
Plos One, 8, 2013

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