1EG6
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![BU of 1eg6 by Molmil](/molmil-images/mine/1eg6) | CRYSTAL STRUCTURE ANALYSIS OF D(CG(5-BRU)ACG) COMPLEXES TO A PHENAZINE | Descriptor: | 5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3', 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE, BROMIDE ION, ... | Authors: | Cardin, C.J, Denny, W.A, Hobbs, J.R, Thorpe, J.H. | Deposit date: | 2000-02-14 | Release date: | 2001-01-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Guanine specific binding at a DNA junction formed by d[CG(5-BrU)ACG](2) with a topoisomerase poison in the presence of Co(2+) ions. Biochemistry, 39, 2000
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1DL8
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![BU of 1dl8 by Molmil](/molmil-images/mine/1dl8) | CRYSTAL STRUCTURE OF 5-F-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CGTACG)2 | Descriptor: | 5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Adams, A, Guss, J.M, Collyer, C.A, Denny, W.A, Wakelin, L.P. | Deposit date: | 1999-12-08 | Release date: | 2000-10-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Acridinecarboxamide topoisomerase poisons: structural and kinetic studies of the DNA complexes of 5-substituted 9-amino-(N-(2-dimethylamino)ethyl)acridine-4-carboxamides. Mol.Pharmacol., 58, 2000
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1FN1
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![BU of 1fn1 by Molmil](/molmil-images/mine/1fn1) | CRYSTAL STRUCTURE OF 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CG(5BR)UACG)2 | Descriptor: | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION, DNA (5'-D(*CP*GP*(BRO)UP*AP*CP*G)-3'), ... | Authors: | Adams, A, Guss, J.M, Collyer, C.A, Denny, W.A, Wakelin, L.P.G. | Deposit date: | 2000-08-19 | Release date: | 2000-10-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A novel form of intercalation involving four DNA duplexes in an acridine-4-carboxamide complex of d(CGTACG)(2). Nucleic Acids Res., 28, 2000
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2IO6
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![BU of 2io6 by Molmil](/molmil-images/mine/2io6) | Wee1 kinase complexed with inhibitor PD330961 | Descriptor: | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | Deposit date: | 2006-10-10 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases. Eur.J.Med.Chem., 43, 2008
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2IN6
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![BU of 2in6 by Molmil](/molmil-images/mine/2in6) | Wee1 kinase complex with inhibitor PD311839 | Descriptor: | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID, Wee1-like protein kinase | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | Deposit date: | 2006-10-05 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases. Eur.J.Med.Chem., 43, 2008
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3EQB
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![BU of 3eqb by Molmil](/molmil-images/mine/3eqb) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | Deposit date: | 2008-09-30 | Release date: | 2008-11-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase). Bioorg.Med.Chem.Lett., 18, 2008
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2P55
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![BU of 2p55 by Molmil](/molmil-images/mine/2p55) | |
4IJ1
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![BU of 4ij1 by Molmil](/molmil-images/mine/4ij1) | Bianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (AnPRT; trpD) in absence of substrates. | Descriptor: | 2,2'-iminodibenzoic acid, Anthranilate phosphoribosyltransferase, GLYCEROL, ... | Authors: | Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-12-20 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis. Chembiochem, 15, 2014
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4M0R
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![BU of 4m0r by Molmil](/molmil-images/mine/4m0r) | Trianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (AnPRT; TrpD). | Descriptor: | 2,6-bis[(2-carboxyphenyl)amino]benzoic acid, Anthranilate phosphoribosyltransferase, DIMETHYL SULFOXIDE, ... | Authors: | Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2013-08-02 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis. Chembiochem, 15, 2014
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452D
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![BU of 452d by Molmil](/molmil-images/mine/452d) | ACRIDINE BINDING TO DNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Thorpe, J.H, Todd, A.K, Cardin, C.J. | Deposit date: | 1999-02-18 | Release date: | 2003-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethlyamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5Br-U)ACG)2 at 1.3-angstrom resolution J.Med.Chem., 42, 1999
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3CQE
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![BU of 3cqe by Molmil](/molmil-images/mine/3cqe) | Wee1 kinase complex with inhibitor PD074291 | Descriptor: | 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Squire, C.J, Baker, E.N. | Deposit date: | 2008-04-02 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Determinants of Wee1 Inhibitor Selectivity To be Published
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3CR0
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![BU of 3cr0 by Molmil](/molmil-images/mine/3cr0) | Wee1 kinase complex with inhibitor PD259_809 | Descriptor: | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione, CHLORIDE ION, GLYCEROL, ... | Authors: | Squire, C.J, Baker, E.N. | Deposit date: | 2008-04-03 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural determinants of Wee1 inhibitor selectivity To be Published
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3BI6
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![BU of 3bi6 by Molmil](/molmil-images/mine/3bi6) | Wee1 kinase complex with inhibitor PD352396 | Descriptor: | 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide, CHLORIDE ION, Wee1-like protein kinase | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | Deposit date: | 2007-11-29 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases. Bioorg.Med.Chem.Lett., 18, 2008
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3BIZ
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![BU of 3biz by Molmil](/molmil-images/mine/3biz) | Wee1 kinase complex with inhibitor PD331618 | Descriptor: | 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, CHLORIDE ION, Wee1-like protein kinase | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | Deposit date: | 2007-12-02 | Release date: | 2007-12-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases. Bioorg.Med.Chem.Lett., 18, 2008
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6AP7
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![BU of 6ap7 by Molmil](/molmil-images/mine/6ap7) | |
6AP8
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![BU of 6ap8 by Molmil](/molmil-images/mine/6ap8) | |
6AP6
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![BU of 6ap6 by Molmil](/molmil-images/mine/6ap6) | Crystal Structure of DAD2 in complex with tolfenamic acid | Descriptor: | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, Probable strigolactone esterase DAD2 | Authors: | Hamiaux, C. | Deposit date: | 2017-08-17 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Inhibition of strigolactone receptors byN-phenylanthranilic acid derivatives: Structural and functional insights. J. Biol. Chem., 293, 2018
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6O5J
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![BU of 6o5j by Molmil](/molmil-images/mine/6o5j) | Crystal Structure of DAD2 bound to quinazolinone derivative | Descriptor: | 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hamiaux, C. | Deposit date: | 2019-03-03 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Chemical synthesis and characterization of a new quinazolinedione competitive antagonist for strigolactone receptors with an unexpected binding mode. Biochem.J., 476, 2019
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4GKM
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![BU of 4gkm by Molmil](/molmil-images/mine/4gkm) | Bianthranilate-like analogue bound in the outer site of anthranilate phosphoribosyltransferase (AnPRT; trpD) | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid, Anthranilate phosphoribosyltransferase, ... | Authors: | Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-08-13 | Release date: | 2013-08-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6683 Å) | Cite: | Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis. Chembiochem, 15, 2014
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4GIU
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![BU of 4giu by Molmil](/molmil-images/mine/4giu) | Bianthranilate-like analogue bound in inner site of anthranilate phosphoribosyltransferase (AnPRT; trpD). | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid, Anthranilate phosphoribosyltransferase, ... | Authors: | Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-08-09 | Release date: | 2013-08-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.667 Å) | Cite: | Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis. Chembiochem, 15, 2014
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