4OF8
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![BU of 4of8 by Molmil](/molmil-images/mine/4of8) | Crystal Structure of Rst D1-D2 | Descriptor: | GLYCEROL, Irregular chiasm C-roughest protein, SODIUM ION | Authors: | Ozkan, E, Garcia, K.C. | Deposit date: | 2014-01-14 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis. Cell(Cambridge,Mass.), 156, 2014
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2Z4B
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![BU of 2z4b by Molmil](/molmil-images/mine/2z4b) | Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand | Descriptor: | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta | Authors: | Wang, Y. | Deposit date: | 2007-06-14 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification. Bioorg.Med.Chem.Lett., 17, 2007
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5DCK
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4CBK
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![BU of 4cbk by Molmil](/molmil-images/mine/4cbk) | The c-ring ion binding site of the ATP synthase from Bacillus pseudofirmus OF4 is adapted to alkaliphilic cell physiology | Descriptor: | ATP SYNTHASE SUBUNIT C, DODECYL-BETA-D-MALTOSIDE, SODIUM ION, ... | Authors: | Preiss, L, Yildiz, O, Meier, T. | Deposit date: | 2013-10-14 | Release date: | 2014-04-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The C-Ring Ion-Binding Site of the ATP Synthase from Bacillus Pseudofirmus of4 is Adapted to Alkaliphilic Lifestyle. Mol.Microbiol., 92, 2014
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4H4F
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![BU of 4h4f by Molmil](/molmil-images/mine/4h4f) | Crystal structure of human chymotrypsin C (CTRC) bound to inhibitor eglin c from Hirudo medicinalis | Descriptor: | Chymotrypsin-C, Eglin C, PHOSPHATE ION | Authors: | Batra, J, Soares, A.S, Radisky, E.S. | Deposit date: | 2012-09-17 | Release date: | 2013-02-27 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Long-range Electrostatic Complementarity Governs Substrate Recognition by Human Chymotrypsin C, a Key Regulator of Digestive Enzyme Activation. J.Biol.Chem., 288, 2013
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4BUL
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![BU of 4bul by Molmil](/molmil-images/mine/4bul) | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | Descriptor: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ... | Authors: | Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D. | Deposit date: | 2013-06-20 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases. Bioorg.Med.Chem.Lett., 23, 2013
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4C58
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![BU of 4c58 by Molmil](/molmil-images/mine/4c58) | Structure of GAK kinase in complex with nanobody (NbGAK_4) | Descriptor: | 1,2-ETHANEDIOL, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | Deposit date: | 2013-09-10 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies. Biochem. J., 459, 2014
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4CBJ
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![BU of 4cbj by Molmil](/molmil-images/mine/4cbj) | The c-ring ion binding site of the ATP synthase from Bacillus pseudofirmus OF4 is adapted to alkaliphilic cell physiology | Descriptor: | ATP SYNTHASE SUBUNIT C, DODECYL-BETA-D-MALTOSIDE, TRIS(HYDROXYETHYL)AMINOMETHANE, ... | Authors: | Preiss, L, Yildiz, O, Meier, T. | Deposit date: | 2013-10-14 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The C-Ring Ion-Binding Site of the ATP Synthase from Bacillus Pseudofirmus of4 is Adapted to Alkaliphilic Lifestyle. Mol.Microbiol., 92, 2014
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7XQG
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![BU of 7xqg by Molmil](/molmil-images/mine/7xqg) | Hemichannel-focused structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE nanodiscs (GCN conformation) | Descriptor: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2022-05-07 | Release date: | 2023-01-25 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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5BUI
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![BU of 5bui by Molmil](/molmil-images/mine/5bui) | ERK2 complexed with 2-pyridiyl tetrahydroazaindazole | Descriptor: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | Deposit date: | 2015-06-03 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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3HRN
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![BU of 3hrn by Molmil](/molmil-images/mine/3hrn) | crystal structure of a C-terminal coiled coil domain of Transient receptor potential (TRP) channel subfamily P member 2 (TRPP2, polycystic kidney disease 2) | Descriptor: | Transient receptor potential (TRP) channel subfamily P member 2 (TRPP2) | Authors: | Yu, Y, Ulbrich, M.H, Li, M.-H, Buraei, Z, Chen, X.-Z, Ong, A.C.M, Tong, L, Isacoff, E.Y, Yang, J. | Deposit date: | 2009-06-09 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and molecular basis of the assembly of the TRPP2/PKD1 complex. Proc.Natl.Acad.Sci.USA, 106, 2009
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1QF0
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![BU of 1qf0 by Molmil](/molmil-images/mine/1qf0) | THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-PHE-TYR. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | Descriptor: | (2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | Deposit date: | 1999-04-06 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases. Biochemistry, 38, 1999
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5AZH
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![BU of 5azh by Molmil](/molmil-images/mine/5azh) | Crystal structure of LGG-2 fused with an EEEWEEL peptide | Descriptor: | EEEWEEL peptide,Protein lgg-2, MAGNESIUM ION | Authors: | Watanabe, Y, Fujioka, Y, Noda, N.N. | Deposit date: | 2015-10-05 | Release date: | 2015-12-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy. Mol.Cell, 60, 2015
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1L2G
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![BU of 1l2g by Molmil](/molmil-images/mine/1l2g) | Structure of a C-terminally truncated form of glycoprotein D from HSV-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein D | Authors: | Carfi, A, Willis, S.H, Whitbeck, J.C, Krummenacher, C, Cohen, G.H, Eisenberg, R.J, Wiley, D.C. | Deposit date: | 2002-02-21 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Herpes simplex virus glycoprotein D bound to the human receptor HveA. Mol.Cell, 8, 2001
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1L9B
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![BU of 1l9b by Molmil](/molmil-images/mine/1l9b) | X-Ray Structure of the Cytochrome-c(2)-Photosynthetic Reaction Center Electron Transfer Complex from Rhodobacter sphaeroides in Type II Co-Crystals | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CHLORIDE ION, ... | Authors: | Axelrod, H.L, Abresch, E.C, Okamura, M.Y, Yeh, A.P, Rees, D.C, Feher, G. | Deposit date: | 2002-03-22 | Release date: | 2002-06-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structure determination of the cytochrome c2: reaction center electron transfer complex from Rhodobacter sphaeroides. J.Mol.Biol., 319, 2002
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3N4R
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![BU of 3n4r by Molmil](/molmil-images/mine/3n4r) | Structure of Csm1 C-terminal domain, R3 form | Descriptor: | MALONATE ION, Monopolin complex subunit CSM1, PENTAETHYLENE GLYCOL | Authors: | Corbett, K.D, Harrison, S.C. | Deposit date: | 2010-05-22 | Release date: | 2010-09-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | The Monopolin Complex Crosslinks Kinetochore Components to Regulate Chromosome-Microtubule Attachments. Cell(Cambridge,Mass.), 142, 2010
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2B55
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![BU of 2b55 by Molmil](/molmil-images/mine/2b55) | Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312 | Descriptor: | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE, Cell division protein kinase 2 | Authors: | Muckelbauer, J. | Deposit date: | 2005-09-27 | Release date: | 2005-10-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. 3. Structure Activity Relationships at C3 J.Med.Chem., 45, 2002
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3MZB
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![BU of 3mzb by Molmil](/molmil-images/mine/3mzb) | X-ray structure of NikA in complex with the doubly hydroxylated iron complex, 1-O2 | Descriptor: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Cavazza, C, Bochot, C, Rousselot-Pailley, P, Carpentier, P, Cherrier, M.V, Martin, L, Marchi-Delapierre, C, Fontecilla-Camps, J.C, Menage, S. | Deposit date: | 2010-05-12 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic snapshots of the reaction of aromatic C-H with O(2) catalysed by a protein-bound iron complex NAT.CHEM., 2, 2010
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4BDB
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![BU of 4bdb by Molmil](/molmil-images/mine/4bdb) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol, NITRATE ION, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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2PCC
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![BU of 2pcc by Molmil](/molmil-images/mine/2pcc) | CRYSTAL STRUCTURE OF A COMPLEX BETWEEN ELECTRON TRANSFER PARTNERS, CYTOCHROME C PEROXIDASE AND CYTOCHROME C | Descriptor: | CYTOCHROME C PEROXIDASE, ISO-1-CYTOCHROME C, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Pelletier, H, Kraut, J. | Deposit date: | 1993-04-14 | Release date: | 1993-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a complex between electron transfer partners, cytochrome c peroxidase and cytochrome c. Science, 258, 1992
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5AP5
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![BU of 5ap5 by Molmil](/molmil-images/mine/5ap5) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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1QF1
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![BU of 1qf1 by Molmil](/molmil-images/mine/1qf1) | THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYLHEPTANOYL)-PHE-ALA. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, PROTEIN (THERMOLYSIN), ... | Authors: | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | Deposit date: | 1999-04-06 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases. Biochemistry, 38, 1999
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1QF2
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![BU of 1qf2 by Molmil](/molmil-images/mine/1qf2) | THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-GLY-(5-PHENYLPROLINE). PARAMETERS FOR ZN-MONODENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, PROTEIN (THERMOLYSIN), ... | Authors: | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | Deposit date: | 1999-04-06 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases. Biochemistry, 38, 1999
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7Y4T
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![BU of 7y4t by Molmil](/molmil-images/mine/7y4t) | Crystal structure of cMET kinase domain bound by compound 9I | Descriptor: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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5AP6
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![BU of 5ap6 by Molmil](/molmil-images/mine/5ap6) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.M, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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