4NM0
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![BU of 4nm0 by Molmil](/molmil-images/mine/4nm0) | Crystal structure of peptide inhibitor-free GSK-3/Axin complex | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-11-14 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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3VD6
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![BU of 3vd6 by Molmil](/molmil-images/mine/3vd6) | Both Zn Fingers of GATA1 Bound to Palindromic DNA Recognition Site, P21 Crystal Form | Descriptor: | ACETATE ION, DNA (5'-D(*AP*AP*GP*AP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*TP*C)-3'), ... | Authors: | Jacques, D.A, Ripin, N, Wilkinson-White, L.E, Guss, J.M, Matthews, J.M. | Deposit date: | 2012-01-04 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | GATA1 directly mediates interactions with closely spaced pseudopalindromic but not distantly spaced double GATA sites on DNA. Protein Sci., 24, 2015
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3VEK
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![BU of 3vek by Molmil](/molmil-images/mine/3vek) | Both Zn Fingers of GATA1 Bound to Palindromic DNA Recognition Site, P1 Crystal Form | Descriptor: | DNA (5'-D(*AP*AP*GP*AP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*TP*C)-3'), Erythroid transcription factor, ... | Authors: | Jacques, D.A, Ripin, N, Wilkinson-White, L.E, Guss, J.M, Matthews, J.M. | Deposit date: | 2012-01-09 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | GATA1 directly mediates interactions with closely spaced pseudopalindromic but not distantly spaced double GATA sites on DNA. Protein Sci., 24, 2015
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4PTC
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![BU of 4ptc by Molmil](/molmil-images/mine/4ptc) | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | Descriptor: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | Deposit date: | 2014-03-10 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.711 Å) | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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4PSI
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![BU of 4psi by Molmil](/molmil-images/mine/4psi) | PIH1D1/phospho-Tel2 complex | Descriptor: | PIH1 domain-containing protein 1, Telomere length regulation protein TEL2 homolog | Authors: | Smerdon, S.J, Boulton, S.J, Stach, L, Flower, T.G, Horejsi, Z. | Deposit date: | 2014-03-07 | Release date: | 2014-04-23 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Phosphorylation-Dependent PIH1D1 Interactions Define Substrate Specificity of the R2TP Cochaperone Complex. Cell Rep, 7, 2014
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3DBH
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![BU of 3dbh by Molmil](/molmil-images/mine/3dbh) | |
8VQ4
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![BU of 8vq4 by Molmil](/molmil-images/mine/8vq4) | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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3T0M
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![BU of 3t0m by Molmil](/molmil-images/mine/3t0m) | |
4O0Z
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![BU of 4o0z by Molmil](/molmil-images/mine/4o0z) | |
3SQQ
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![BU of 3sqq by Molmil](/molmil-images/mine/3sqq) | CDK2 in complex with inhibitor RC-3-96 | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-07-06 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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8UV0
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8VQ3
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![BU of 8vq3 by Molmil](/molmil-images/mine/8vq3) | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
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3DAL
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![BU of 3dal by Molmil](/molmil-images/mine/3dal) | Methyltransferase domain of human PR domain-containing protein 1 | Descriptor: | PR domain zinc finger protein 1 | Authors: | Amaya, M.F, Zeng, H, Antoshenko, T, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-29 | Release date: | 2008-08-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structure
of methyltransferase domain of human PR domain-containing protein 1 To be Published
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3DXM
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![BU of 3dxm by Molmil](/molmil-images/mine/3dxm) | Structure of Bos taurus Arp2/3 Complex with Bound Inhibitor CK0993548 | Descriptor: | (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ... | Authors: | Nolen, B.J, Tomasevic, N, Russell, A, Pierce, D.W, Jia, Z, Hartman, J, Sakowicz, R, Pollard, T.D. | Deposit date: | 2008-07-24 | Release date: | 2009-07-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Characterization of two classes of small molecule inhibitors of Arp2/3 complex Nature, 460, 2009
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3DBR
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4N9C
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![BU of 4n9c by Molmil](/molmil-images/mine/4n9c) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | 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, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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3DPL
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4N9E
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![BU of 4n9e by Molmil](/molmil-images/mine/4n9e) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | 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, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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8XOH
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![BU of 8xoh by Molmil](/molmil-images/mine/8xoh) | Cryo-EM structure of GPR30-Gq complex structure in the presence of E2 | Descriptor: | G-protein coupled estrogen receptor 1, 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, ... | Authors: | Liu, H, Xu, P, Xu, H.E. | Deposit date: | 2024-01-01 | Release date: | 2024-04-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor. Cell Res., 34, 2024
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8XOJ
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![BU of 8xoj by Molmil](/molmil-images/mine/8xoj) | Cryo-EM structure of GPR30-Gq complex structure in the presence of G-1 | Descriptor: | G-protein coupled estrogen receptor 1, 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, ... | Authors: | Liu, H, Xu, P, Xu, H.E. | Deposit date: | 2024-01-01 | Release date: | 2024-04-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional evidence that GPR30 is not a direct estrogen receptor. Cell Res., 34, 2024
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3QAL
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![BU of 3qal by Molmil](/molmil-images/mine/3qal) | Crystal Structure of Arg280Ala mutant of Catalytic subunit of cAMP-dependent Protein Kinase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ... | Authors: | Yang, J, Wu, J, Steichen, J, Taylor, S.S. | Deposit date: | 2011-01-11 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold. J.Mol.Biol., 415, 2012
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4ACD
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![BU of 4acd by Molmil](/molmil-images/mine/4acd) | GSK3b in complex with inhibitor | Descriptor: | 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | Authors: | Xue, Y, Ormo, M. | Deposit date: | 2011-12-15 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
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4KYK
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![BU of 4kyk by Molmil](/molmil-images/mine/4kyk) | Crystal structure of mouse glyoxalase I complexed with indomethacin | Descriptor: | INDOMETHACIN, Lactoylglutathione lyase, ZINC ION | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | Deposit date: | 2013-05-29 | Release date: | 2013-08-07 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis. Chemmedchem, 8, 2013
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3DXK
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![BU of 3dxk by Molmil](/molmil-images/mine/3dxk) | Structure of Bos Taurus Arp2/3 Complex with Bound Inhibitor CK0944636 | Descriptor: | Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ... | Authors: | Nolen, B.J, Tomasevic, N, Russell, A, Pierce, D.W, Jia, Z, Hartman, J, Sakowicz, R, Pollard, T.D. | Deposit date: | 2008-07-24 | Release date: | 2009-07-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of two classes of small molecule inhibitors of Arp2/3 complex Nature, 460, 2009
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3U9X
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![BU of 3u9x by Molmil](/molmil-images/mine/3u9x) | Covalent attachment of pyridoxal-phosphate derivatives to 14-3-3 proteins | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2011-10-20 | Release date: | 2012-05-09 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent attachment of pyridoxal-phosphate derivatives to 14-3-3 proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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