5SXB
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![BU of 5sxb by Molmil](/molmil-images/mine/5sxb) | Crystal Structure of PI3Kalpha in complex with fragment 23 | Descriptor: | ISATOIC ANHYDRIDE, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-09 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SWR
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![BU of 5swr by Molmil](/molmil-images/mine/5swr) | Crystal Structure of PI3Kalpha in complex with fragments 20 and 26 | Descriptor: | 2-HYDROXYBENZOIC ACID, 6-hydroxy-3,4-dihydronaphthalen-1(2H)-one, CHLORIDE ION, ... | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-08 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SXA
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![BU of 5sxa by Molmil](/molmil-images/mine/5sxa) | Crystal Structure of PI3Kalpha in complex with fragment 10 | Descriptor: | 2-(trifluoromethyl)-1H-benzimidazol-5-amine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-09 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SXI
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![BU of 5sxi by Molmil](/molmil-images/mine/5sxi) | Crystal Structure of PI3Kalpha in complex with fragment 13 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, trans-cyclohexane-1,4-diol | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-09 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5C7T
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![BU of 5c7t by Molmil](/molmil-images/mine/5c7t) | Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase in complex with ADP-ribose | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, ADENOSINE-5-DIPHOSPHORIBOSE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M. | Deposit date: | 2015-06-24 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus. Plos One, 10, 2015
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5C7Q
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![BU of 5c7q by Molmil](/molmil-images/mine/5c7q) | Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M. | Deposit date: | 2015-06-24 | Release date: | 2016-01-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus. Plos One, 10, 2015
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4HXX
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![BU of 4hxx by Molmil](/molmil-images/mine/4hxx) | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1 | Descriptor: | (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ... | Authors: | Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1. Bioorg.Med.Chem., 21, 2013
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5C8L
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![BU of 5c8l by Molmil](/molmil-images/mine/5c8l) | Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NudF protein, ... | Authors: | Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M. | Deposit date: | 2015-06-25 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus. Plos One, 10, 2015
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3EFK
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![BU of 3efk by Molmil](/molmil-images/mine/3efk) | Structure of c-Met with pyrimidone inhibitor 50 | Descriptor: | 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | Authors: | Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I. | Deposit date: | 2008-09-09 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J.Med.Chem., 51, 2008
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3K0H
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![BU of 3k0h by Molmil](/molmil-images/mine/3k0h) | The crystal structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with an amidated C-terminus | Descriptor: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Campbell, S.J, Edwards, R.A, Glover, J.N. | Deposit date: | 2009-09-24 | Release date: | 2010-03-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1 Structure, 18, 2010
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3K15
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![BU of 3k15 by Molmil](/molmil-images/mine/3k15) | Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with an amidated C-terminus | Descriptor: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Campbell, S.J, Edwards, R.A, Glover, J.N. | Deposit date: | 2009-09-25 | Release date: | 2010-03-02 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1 Structure, 18, 2010
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3K16
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![BU of 3k16 by Molmil](/molmil-images/mine/3k16) | Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus | Descriptor: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Campbell, S.J, Edwards, R.A, Glover, J.N. | Deposit date: | 2009-09-25 | Release date: | 2010-03-02 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1 Structure, 18, 2010
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3K05
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![BU of 3k05 by Molmil](/molmil-images/mine/3k05) | |
3K0K
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![BU of 3k0k by Molmil](/molmil-images/mine/3k0k) | Crystal Structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus. | Descriptor: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Campbell, S.J, Edwards, R.A, Glover, J.N. | Deposit date: | 2009-09-24 | Release date: | 2010-03-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1 Structure, 18, 2010
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7U1C
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![BU of 7u1c by Molmil](/molmil-images/mine/7u1c) | Structure of EstG crystalized with SO4 and Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ... | Authors: | Gabelli, S.B, Chen, Z. | Deposit date: | 2022-02-20 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | EstG is a novel esterase required for cell envelope integrity in Caulobacter. Curr.Biol., 33, 2023
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3EFW
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![BU of 3efw by Molmil](/molmil-images/mine/3efw) | Structure of AuroraA with pyridyl-pyrimidine urea inhibitor | Descriptor: | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6 | Authors: | Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D. | Deposit date: | 2008-09-10 | Release date: | 2008-12-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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2RFS
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![BU of 2rfs by Molmil](/molmil-images/mine/2rfs) | X-ray structure of SU11274 bound to c-Met | Descriptor: | Hepatocyte growth factor receptor, N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | Authors: | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | Deposit date: | 2007-10-01 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations. J.Biol.Chem., 283, 2008
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2P4I
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![BU of 2p4i by Molmil](/molmil-images/mine/2p4i) | |
2OSC
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![BU of 2osc by Molmil](/molmil-images/mine/2osc) | Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors | Descriptor: | Angiopoietin-1 receptor, N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | Authors: | Bellon, S.F, Kim, J. | Deposit date: | 2007-02-05 | Release date: | 2007-03-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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1YHM
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![BU of 1yhm by Molmil](/molmil-images/mine/1yhm) | Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2 | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ... | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | Deposit date: | 2005-01-09 | Release date: | 2005-12-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design. Proteins, 62, 2005
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2OO8
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![BU of 2oo8 by Molmil](/molmil-images/mine/2oo8) | Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors | Descriptor: | Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | Authors: | Bellon, S.F, Kim, J. | Deposit date: | 2007-01-25 | Release date: | 2007-03-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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1CM8
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![BU of 1cm8 by Molmil](/molmil-images/mine/1cm8) | PHOSPHORYLATED MAP KINASE P38-GAMMA | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHORYLATED MAP KINASE P38-GAMMA | Authors: | Bellon, S, Fitzgibbon, M.J, Fox, T, Hsiao, H.M, Wilson, K.P. | Deposit date: | 1999-05-17 | Release date: | 2000-05-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of phosphorylated p38gamma is monomeric and reveals a conserved activation-loop conformation. Structure Fold.Des., 7, 1999
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2RFN
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![BU of 2rfn by Molmil](/molmil-images/mine/2rfn) | x-ray structure of c-Met with inhibitor. | Descriptor: | 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | Authors: | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | Deposit date: | 2007-10-01 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations. J.Biol.Chem., 283, 2008
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1RYA
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![BU of 1rya by Molmil](/molmil-images/mine/1rya) | Crystal Structure of the E. coli GDP-mannose mannosyl hydrolase in complex with GDP and MG | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GDP-mannose mannosyl hydrolase, ... | Authors: | Gabelli, S.B, Bianchet, M.A, Legler, P.M, Mildvan, A.S, Amzel, L.M. | Deposit date: | 2003-12-20 | Release date: | 2004-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure and mechanism of GDP-mannose glycosyl hydrolase, a Nudix enzyme that cleaves at carbon instead of phosphorus. Structure, 12, 2004
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2O5W
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![BU of 2o5w by Molmil](/molmil-images/mine/2o5w) | Structure of the E. coli dihydroneopterin triphosphate pyrophosphohydrolase in complex with Sm+3 and pyrophosphate | Descriptor: | PYROPHOSPHATE, SAMARIUM (III) ION, SODIUM ION, ... | Authors: | Gabelli, S.B, Bianchet, M.A, Amzel, L.M. | Deposit date: | 2006-12-06 | Release date: | 2007-08-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and function of the E. coli dihydroneopterin triphosphate pyrophosphatase: a Nudix enzyme involved in folate biosynthesis. Structure, 15, 2007
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