7R00
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![BU of 7r00 by Molmil](/molmil-images/mine/7r00) | ATAD2 in complex with FragLite33 | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-02-01 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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2VF2
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![BU of 2vf2 by Molmil](/molmil-images/mine/2vf2) | X-ray crystal structure of HsaD from Mycobacterium tuberculosis | Descriptor: | 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, SULFATE ION | Authors: | Lack, N, Lowe, E.D, Liu, J, Eltis, L.D, Noble, M.E.M, Sim, E, Westwood, I.M. | Deposit date: | 2007-10-29 | Release date: | 2007-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of Hsad, a Steroid-Degrading Hydrolase, from Mycobacterium Tuberculosis. Acta Crystallogr.,Sect.F, 64, 2008
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2VFC
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![BU of 2vfc by Molmil](/molmil-images/mine/2vfc) | The structure of Mycobacterium marinum arylamine N-acetyltransferase in complex with CoA | Descriptor: | ARYLAMINE N-ACETYLTRANSFERASE, COENZYME A | Authors: | Fullam, E, Westwood, I.M, Anderton, M.C, Lowe, E.D, Sim, E, Noble, M.E.M. | Deposit date: | 2007-11-02 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Divergence of Cofactor Recognition Across Evolution: Coenzyme a Binding in a Prokaryotic Arylamine N-Acetyltransferase. J.Mol.Biol., 375, 2008
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2V9C
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![BU of 2v9c by Molmil](/molmil-images/mine/2v9c) | X-ray Crystallographic Structure of a Pseudomonas aeruginosa Azoreductase in Complex with Methyl Red. | Descriptor: | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, FLAVIN MONONUCLEOTIDE, FMN-DEPENDENT NADH-AZOREDUCTASE 1, ... | Authors: | Wang, C.-J, Hagemeier, C, Rahman, N, Lowe, E.D, Noble, M.E.M, Coughtrie, M, Sim, E, Westwood, I.M. | Deposit date: | 2007-08-23 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Molecular Cloning, Characterisation and Ligand- Bound Structure of an Azoreductase from Pseudomonas Aeruginosa J.Mol.Biol., 373, 2007
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2VFB
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![BU of 2vfb by Molmil](/molmil-images/mine/2vfb) | The structure of Mycobacterium marinum arylamine N-acetyltransferase | Descriptor: | ARYLAMINE N-ACETYLTRANSFERASE | Authors: | Fullam, E, Westwood, I.M, Anderton, M.C, Lowe, E.D, Sim, E, Noble, M.E.M. | Deposit date: | 2007-11-02 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Divergence of Cofactor Recognition Across Evolution: Coenzyme a Binding in a Prokaryotic Arylamine N-Acetyltransferase. J.Mol.Biol., 375, 2008
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2VZD
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![BU of 2vzd by Molmil](/molmil-images/mine/2vzd) | Crystal structure of the C-terminal calponin homology domain of alpha parvin in complex with paxillin LD1 motif | Descriptor: | 1,2-ETHANEDIOL, ALPHA-PARVIN, GLYCEROL, ... | Authors: | Lorenz, S, Vakonakis, I, Lowe, E.D, Campbell, I.D, Noble, M.E.M, Hoellerer, M.K. | Deposit date: | 2008-07-31 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of the Interactions between Paxillin Ld Motifs and Alpha-Parvin Structure, 16, 2008
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2VZC
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![BU of 2vzc by Molmil](/molmil-images/mine/2vzc) | Crystal structure of the C-terminal calponin homology domain of alpha parvin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Lorenz, S, Vakonakis, I, Lowe, E.D, Campbell, I.D, Noble, M.E.M, Hoellerer, M.K. | Deposit date: | 2008-07-31 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural Analysis of the Interactions between Paxillin Ld Motifs and Alpha-Parvin Structure, 16, 2008
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1OIY
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![BU of 1oiy by Molmil](/molmil-images/mine/1oiy) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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1OI9
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![BU of 1oi9 by Molmil](/molmil-images/mine/1oi9) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-10 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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1OIU
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![BU of 1oiu by Molmil](/molmil-images/mine/1oiu) | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | Descriptor: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2003-06-26 | Release date: | 2004-07-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2 J.Med.Chem., 47, 2004
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7PPX
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![BU of 7ppx by Molmil](/molmil-images/mine/7ppx) | ATAD2 in complex with FragLite3 | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2021-09-15 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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1H0W
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![BU of 1h0w by Molmil](/molmil-images/mine/1h0w) | Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[cyclohex-3-enyl]methoxypurine | Descriptor: | 1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Gibson, A.E, Arris, C.E, Bentley, J, Boyle, F.T, Curtin, N.J, Davies, T.G, Endicott, J.A, Golding, B.T, Grant, S, Griffin, R.J, Jewsbury, P, Johnson, L.N, Mesguiche, V, Newell, D.R, Noble, M.E.M, Tucker, J.A, Whitfield, H.J. | Deposit date: | 2002-06-27 | Release date: | 2003-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives J.Med.Chem., 45, 2002
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1H1S
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![BU of 1h1s by Molmil](/molmil-images/mine/1h1s) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
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1H1P
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![BU of 1h1p by Molmil](/molmil-images/mine/1h1p) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 | Descriptor: | 6-O-CYCLOHEXYLMETHYL GUANINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
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1H1Q
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![BU of 1h1q by Molmil](/molmil-images/mine/1h1q) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 | Descriptor: | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
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1H0V
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![BU of 1h0v by Molmil](/molmil-images/mine/1h0v) | Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[(R)-pyrrolidino-5'-yl]methoxypurine | Descriptor: | 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Gibson, A.E, Arris, C.E, Bentley, J, Boyle, F.T, Curtin, N.J, Davies, T.G, Endicott, J.A, Golding, B.T, Grant, S, Griffin, R.J, Jewsbury, P, Johnson, L.N, Mesguiche, V, Newell, D.R, Noble, M.E.M, Tucker, J.A, Whitfield, H.J. | Deposit date: | 2002-06-27 | Release date: | 2003-06-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives J.Med.Chem., 45, 2002
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1W5R
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![BU of 1w5r by Molmil](/molmil-images/mine/1w5r) | X-ray crystallographic structure of a C70Q Mycobacterium smegmatis N- arylamine Acetyltransferase | Descriptor: | ARYLAMINE N-ACETYLTRANSFERASE | Authors: | Holton, S.J, Sandy, J, Rodrigues-Lima, F, Dupret, J.-M, Bhakta, S, Noble, M.E.M, Sim, E. | Deposit date: | 2004-08-09 | Release date: | 2005-05-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Investigation of the Catalytic Triad of Arylamine N-Acetyltransferases: Essential Residues Required for Acetyl Transfer to Arylamines. Biochem.J., 390, 2005
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1W6F
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![BU of 1w6f by Molmil](/molmil-images/mine/1w6f) | Arylamine N-acetyltransferase from Mycobacterium smegmatis with the anti-tubercular drug isoniazid bound in the active site. | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, ARYLAMINE N-ACETYLTRANSFERASE | Authors: | Sandy, J, Holton, S, Fullham, E, Sim, E, Noble, M.E.M. | Deposit date: | 2004-08-17 | Release date: | 2005-02-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of the Anti-Tubercular Drug Isoniazid to the Arylamine N-Acetyltransferase Protein from Mycobacterium Smegmatis Protein Sci., 14, 2005
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1E1V
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![BU of 1e1v by Molmil](/molmil-images/mine/1e1v) | |
1E1X
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![BU of 1e1x by Molmil](/molmil-images/mine/1e1x) | |
4TIM
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![BU of 4tim by Molmil](/molmil-images/mine/4tim) | |
1SHF
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![BU of 1shf by Molmil](/molmil-images/mine/1shf) | |
5TIM
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![BU of 5tim by Molmil](/molmil-images/mine/5tim) | REFINED 1.83 ANGSTROMS STRUCTURE OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE, CRYSTALLIZED IN THE PRESENCE OF 2.4 M-AMMONIUM SULPHATE. A COMPARISON WITH THE STRUCTURE OF THE TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE-GLYCEROL-3-PHOSPHATE COMPLEX | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE | Authors: | Wierenga, R.K, Hol, W.G.J. | Deposit date: | 1991-04-23 | Release date: | 1992-10-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Refined 1.83 A structure of trypanosomal triosephosphate isomerase crystallized in the presence of 2.4 M-ammonium sulphate. A comparison with the structure of the trypanosomal triosephosphate isomerase-glycerol-3-phosphate complex. J.Mol.Biol., 220, 1991
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1AG1
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![BU of 1ag1 by Molmil](/molmil-images/mine/1ag1) | |
1SCE
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![BU of 1sce by Molmil](/molmil-images/mine/1sce) | |