2ERG
 
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1M48
 | | Crystal Structure of Human IL-2 Complexed with (R)-N-[2-[1-(Aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L-phenylalanine methyl ester | | Descriptor: | 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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1M47
 | | Crystal Structure of Human Interleukin-2 | | Descriptor: | SULFATE ION, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Binding of small molecules to an adaptive protein-protein interface.
Proc.Natl.Acad.Sci.USA, 100, 2003
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1M4C
 | | Crystal Structure of Human Interleukin-2 | | Descriptor: | interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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1M49
 | | Crystal Structure of Human Interleukin-2 Complexed with SP-1985 | | Descriptor: | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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2XHI
 | | Separation-of-function mutants unravel the dual reaction mode of human 8-oxoguanine DNA glycosylase | | Descriptor: | 5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', CALCIUM ION, ... | | Authors: | Dalhus, B, Forsbring, M, Helle, I.H, Backe, P.H, Forstrom, R.J, Alseth, I, Bjoras, M. | | Deposit date: | 2010-06-16 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Separation-of-Function Mutants Unravel the Dual- Reaction Mode of Human 8-Oxoguanine DNA Glycosylase.
Structure, 19, 2011
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5D3F
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2XL2
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8UQE
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 26-residue linker (RING not modeled in density) | | Descriptor: | E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.562 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQB
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 1) | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.484 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQA
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 12-residue linker | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, SODIUM ION, ... | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.049 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQ8
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 2-residue linker | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ... | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQ9
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 4-residue linker | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ... | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQD
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (condition 2. RING not modeled in density) | | Descriptor: | E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.893 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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8UQC
 | | Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 2) | | Descriptor: | E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION | | Authors: | Hu, Q, Botuyan, M.V, Mer, G. | | Deposit date: | 2023-10-23 | | Release date: | 2024-01-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
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5D2D
 | | Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 | | Descriptor: | 14-3-3 protein zeta/delta, CHLORIDE ION, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Stevers, L.M, Leysen, S.F.R, Ottmann, C. | | Deposit date: | 2015-08-05 | | Release date: | 2016-03-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization and small-molecule stabilization of the multisite tandem binding between 14-3-3 and the R domain of CFTR.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1M4A
 | | Crystal Structure of Human Interleukin-2 Y31C Covalently Modified at C31 with (1H-Indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid | | Descriptor: | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID, GLYCEROL, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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2GTM
 | | Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 | | Descriptor: | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, Mitogen-activated protein kinase 14 | | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | | Deposit date: | 2006-04-28 | | Release date: | 2006-05-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production.
Bioorg.Med.Chem.Lett., 16, 2006
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7C1D
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2XYI
 | | Crystal Structure of Nurf55 in complex with a H4 peptide | | Descriptor: | DI(HYDROXYETHYL)ETHER, HISTONE H4, PROBABLE HISTONE-BINDING PROTEIN CAF1, ... | | Authors: | Stirnimann, C.U, Nowak, A.J, Mueller, C.W. | | Deposit date: | 2010-11-17 | | Release date: | 2011-05-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Chromatin-Modifying Complex Component Nurf55/P55 Associates with Histones H3, H4 and Polycomb Repressive Complex 2 Subunit Su(Z)12 Through Partially Overlapping Binding Sites.
J.Biol.Chem., 286, 2011
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2XWU
 | | CRYSTAL STRUCTURE OF IMPORTIN 13 - UBC9 COMPLEX | | Descriptor: | IMPORTIN13, SUMO-CONJUGATING ENZYME UBC9 | | Authors: | Gruenwald, M, Bono, F. | | Deposit date: | 2010-11-05 | | Release date: | 2010-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Importin13-Ubc9 Complex: Nuclear Import and Release of a Key Regulator of Sumoylation.
Embo J., 30, 2011
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2Y5K
 | | Orally active aminopyridines as inhibitors of tetrameric fructose 1,6- bisphosphatase | | Descriptor: | 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA, FRUCTOSE-1,6-BISPHOSPHATASE 1 | | Authors: | Ruf, A, Hebeisen, P, Haap, W, Kuhn, B, Mohr, P, Wessel, H.P, Zutter, U, Kirchner, S, Benz, J, Joseph, C, Alvarez-Sanchez, R, Gubler, M, Schott, B, Benardeau, A, Tozzo, E, Kitas, E. | | Deposit date: | 2011-01-14 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Orally Active Aminopyridines as Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase.
Bioorg.Med.Chem.Lett., 21, 2011
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7G87
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1148165337 | | Descriptor: | 2-(1H-indazol-1-yl)-N,N-dimethylacetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G8J
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1216861874 | | Descriptor: | 5-(difluoromethoxy)pyridin-2(3H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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7G99
 | | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102102-001 | | Descriptor: | 1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-06-22 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | ARHGEF2 PanDDA analysis group deposition
To Be Published
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