1XU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xu2 by Molmil](/molmil-images/mine/1xu2) | The crystal structure of APRIL bound to BCMA | Descriptor: | NICKEL (II) ION, Tumor necrosis factor ligand superfamily member 13, Tumor necrosis factor receptor superfamily member 17 | Authors: | Hymowitz, S.G, Patel, D.R, Wallweber, H.J.A, Runyon, S, Yan, M, Yin, J, Shriver, S.K, Gordon, N.C, Pan, B, Skelton, N.J, Kelley, R.F, Starovasnik, M.A. | Deposit date: | 2004-10-25 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of APRIL-receptor complexes: Like BCMA, TACI employs only a single cysteine-rich domain for high-affinity ligand binding J.Biol.Chem., 280, 2005
|
|
1LE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1le1 by Molmil](/molmil-images/mine/1le1) | |
1LE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1le0 by Molmil](/molmil-images/mine/1le0) | |
1LE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1le3 by Molmil](/molmil-images/mine/1le3) | |
3QKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qkm by Molmil](/molmil-images/mine/3qkm) | Spirocyclic sulfonamides as AKT inhibitors | Descriptor: | N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | Authors: | Xu, R, Banka, A, Blake, J.F, Mitchell, I.S, Wallace, E.M, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | Deposit date: | 2011-02-01 | Release date: | 2011-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of spirocyclic sulfonamides as potent Akt inhibitors with exquisite selectivity against PKA. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3QKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qkk by Molmil](/molmil-images/mine/3qkk) | Spirochromane Akt Inhibitors | Descriptor: | GSK-3 beta peptide, N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | Authors: | Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and SAR of spirochromane Akt inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3QKL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qkl by Molmil](/molmil-images/mine/3qkl) | Spirochromane Akt Inhibitors | Descriptor: | GSK-3 beta peptide, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | Authors: | Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and SAR of spirochromane Akt inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
|
|
2H2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h2b by Molmil](/molmil-images/mine/2h2b) | Crystal Structure of ZO-1 PDZ1 Bound to a Phage-Derived Ligand (WRRTTYL) | Descriptor: | ACETIC ACID, Tight junction protein ZO-1 | Authors: | Appleton, B.A, Zhang, Y, Wu, P, Yin, J.P, Hunziker, W, Skelton, N.J, Sidhu, S.S, Wiesmann, C. | Deposit date: | 2006-05-18 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparative structural analysis of the Erbin PDZ domain and the first PDZ domain of ZO-1. Insights into determinants of PDZ domain specificity. J.Biol.Chem., 281, 2006
|
|
2H3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h3m by Molmil](/molmil-images/mine/2h3m) | Crystal Structure of ZO-1 PDZ1 | Descriptor: | SULFATE ION, Tight junction protein ZO-1 | Authors: | Appleton, B.A, Zhang, Y, Wu, P, Yin, J.P, Hunziker, W, Skelton, N.J, Sidhu, S.S, Wiesmann, C. | Deposit date: | 2006-05-22 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Comparative structural analysis of the Erbin PDZ domain and the first PDZ domain of ZO-1. Insights into determinants of PDZ domain specificity. J.Biol.Chem., 281, 2006
|
|
2BCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bcb by Molmil](/molmil-images/mine/2bcb) | |
2BCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bca by Molmil](/molmil-images/mine/2bca) | |
2FSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fsp by Molmil](/molmil-images/mine/2fsp) | NMR SOLUTION STRUCTURE OF BACILLUS SUBTILIS SPO0F PROTEIN, MINIMIZED AVERAGE STRUCTURE | Descriptor: | STAGE 0 SPORULATION PROTEIN F | Authors: | Feher, V.A, Skelton, N.J, Dahlquist, F.W, Cavanagh, J. | Deposit date: | 1997-06-06 | Release date: | 1997-12-10 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition. Biochemistry, 36, 1997
|
|
1QSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qsv by Molmil](/molmil-images/mine/1qsv) | THE VEGF-BINDING DOMAIN OF FLT-1, 20 NMR STRUCTURES | Descriptor: | VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1 | Authors: | Starovasnik, M.A, Christinger, H.W, Wiesmann, C, Champe, M.A, de Vos, A.M, Skelton, N.J. | Deposit date: | 1999-06-23 | Release date: | 1999-11-10 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states. J.Mol.Biol., 293, 1999
|
|
1N0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n0a by Molmil](/molmil-images/mine/1n0a) | |
1N0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n0c by Molmil](/molmil-images/mine/1n0c) | Stability of cyclic beta-hairpins: Asymmetric contibutions from side chains of hydrogen bonded cross-strand residue pair | Descriptor: | bhp_HWLV, disulfide cyclized beta-hairpin peptide | Authors: | Russel, S.J, Blandl, T, Skelton, N.J, Cochran, A.G. | Deposit date: | 2002-10-11 | Release date: | 2003-10-21 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Stability of cyclic beta-hairpins: asymmetric contributions from side chains of
a hydrogen-bonded cross-strand residue pair J.AM.CHEM.SOC., 125, 2003
|
|
1QSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qsz by Molmil](/molmil-images/mine/1qsz) | THE VEGF-BINDING DOMAIN OF FLT-1 (MINIMIZED MEAN) | Descriptor: | VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1 | Authors: | Starovasnik, M.A, Christinger, H.W, Wiesmann, C, Champe, M.A, de Vos, A.M, Skelton, N.J. | Deposit date: | 1999-06-24 | Release date: | 1999-11-10 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states. J.Mol.Biol., 293, 1999
|
|
1EDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1edi by Molmil](/molmil-images/mine/1edi) | |
4DST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dst by Molmil](/molmil-images/mine/4dst) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4DSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dsn by Molmil](/molmil-images/mine/4dsn) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4DSO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dso by Molmil](/molmil-images/mine/4dso) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4DSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dsu by Molmil](/molmil-images/mine/4dsu) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
5HID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hid by Molmil](/molmil-images/mine/5hid) | BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628 | Descriptor: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
|
|
5HI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hi2 by Molmil](/molmil-images/mine/5hi2) | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | Descriptor: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
|
|
5HIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hie by Molmil](/molmil-images/mine/5hie) | BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib | Descriptor: | Dabrafenib, Serine/threonine-protein kinase B-raf | Authors: | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
|
|
1EDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1edj by Molmil](/molmil-images/mine/1edj) | |