4OU4
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![BU of 4ou4 by Molmil](/molmil-images/mine/4ou4) | Crystal structure of esterase rPPE mutant S159A complexed with (S)-Ac-CPA | Descriptor: | (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein | Authors: | Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H. | Deposit date: | 2014-02-15 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of Pseudomonas putida esterase reveal the functional role of residues 187 and 287 in substrate binding and chiral recognition Biochem.Biophys.Res.Commun., 446, 2014
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2WFU
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![BU of 2wfu by Molmil](/molmil-images/mine/2wfu) | Crystal structure of DILP5 variant DB | Descriptor: | PROBABLE INSULIN-LIKE PEPTIDE 5 A CHAIN, PROBABLE INSULIN-LIKE PEPTIDE 5 B CHAIN | Authors: | Kulahin, N, Schluckebier, G, Sajid, W, De Meyts, P. | Deposit date: | 2009-04-15 | Release date: | 2010-05-26 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biological Properties of the Drosophila Insulin-Like Peptide 5 Show Evolutionary Conservation. J.Biol.Chem., 286, 2011
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2WGD
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![BU of 2wgd by Molmil](/molmil-images/mine/2wgd) | Crystal structure of KasA of Mycobacterium tuberculosis | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Luckner, S.R, Kisker, C. | Deposit date: | 2009-04-17 | Release date: | 2009-07-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal Structures of Mycobacterium Tuberculosis Kasa Show Mode of Action within Cell Wall Biosynthesis and its Inhibition by Thiolactomycin Structure, 17, 2009
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2WFV
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![BU of 2wfv by Molmil](/molmil-images/mine/2wfv) | Crystal structure of DILP5 variant C4 | Descriptor: | PROBABLE INSULIN-LIKE PEPTIDE 5 A CHAIN, PROBABLE INSULIN-LIKE PEPTIDE 5 B CHAIN | Authors: | Kulahin, N, Schluckebier, G, Sajid, W, De Meyts, P. | Deposit date: | 2009-04-15 | Release date: | 2010-05-26 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biological Properties of the Drosophila Insulin-Like Peptide 5 Show Evolutionary Conservation. J.Biol.Chem., 286, 2011
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2WD8
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![BU of 2wd8 by Molmil](/molmil-images/mine/2wd8) | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | Descriptor: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | Deposit date: | 2009-03-20 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. J.Med.Chem., 52, 2009
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2VSS
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![BU of 2vss by Molmil](/molmil-images/mine/2vss) | Wild-type Hydroxycinnamoyl-CoA hydratase lyase in complex with acetyl- CoA and vanillin | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, ACETYL COENZYME *A, P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | Authors: | Bennett, J.P, Bertin, L.M, Brzozowski, A.M, Walton, N.J, Grogan, G. | Deposit date: | 2008-04-29 | Release date: | 2008-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A Ternary Complex of Hydroxycinnamoyl-Coa Hydratase-Lyase (Hchl) with Acetyl-Coa and Vanillin Gives Insights Into Substrate Specificity and Mechanism. Biochem.J., 414, 2008
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4OB6
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![BU of 4ob6 by Molmil](/molmil-images/mine/4ob6) | Complex structure of esterase rPPE S159A/W187H and substrate (S)-Ac-CPA | Descriptor: | (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein | Authors: | Dou, S, Kong, X.D, Ma, B.D, Chen, Q, Zhou, J.H, Xu, J.H. | Deposit date: | 2014-01-07 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of Pseudomonas putida esterase reveal the functional role of residues 187 and 287 in substrate binding and chiral recognition Biochem.Biophys.Res.Commun., 446, 2014
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7B4D
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![BU of 7b4d by Molmil](/molmil-images/mine/7b4d) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | Authors: | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | Deposit date: | 2020-12-02 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7B4G
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![BU of 7b4g by Molmil](/molmil-images/mine/7b4g) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (II) | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ... | Authors: | Degtjarik, O, Rozenberg, H, Shakked, Z. | Deposit date: | 2020-12-02 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7B4F
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![BU of 7b4f by Molmil](/molmil-images/mine/7b4f) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (I) | Descriptor: | Cellular tumor antigen p53, DNA target, FORMIC ACID, ... | Authors: | Rozenberg, H, Degtjarik, O, Shakked, Z. | Deposit date: | 2020-12-02 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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2VND
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![BU of 2vnd by Molmil](/molmil-images/mine/2vnd) | The N69Q mutant of Vibrio cholerae endonuclease I | Descriptor: | CHLORIDE ION, ENDONUCLEASE I, MAGNESIUM ION | Authors: | Niiranen, L, Altermark, B, Brandsdal, B.O, Leiros, H.-K.S, Helland, R, Smalas, A.O, Willassen, N.P. | Deposit date: | 2008-02-04 | Release date: | 2008-02-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Effects of Salt on the Kinetics and Thermodynamic Stability of Endonuclease I from Vibrio Salmonicida and Vibrio Cholerae. FEBS J., 275, 2008
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2VN3
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![BU of 2vn3 by Molmil](/molmil-images/mine/2vn3) | Nitrite Reductase from Alcaligenes xylosoxidans | Descriptor: | COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, SULFATE ION, ... | Authors: | Sato, K, Firbank, S.J, Li, C, Banfield, M.J, Dennison, C. | Deposit date: | 2008-01-30 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Importance of the Long Type 1 Copper-Binding Loop of Nitrite Reductase for Structure and Function. Chemistry, 14, 2008
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5J2D
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2X86
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![BU of 2x86 by Molmil](/molmil-images/mine/2x86) | AGME bound to ADP-B-mannose | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADP-L-GLYCERO-D-MANNO-HEPTOSE-6-EPIMERASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Kowatz, T, Morrison, J.P, Tanner, M.E, Naismith, J.H. | Deposit date: | 2010-03-06 | Release date: | 2010-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of the Y140F Mutant of Adp-L-Glycero-D-Manno-Heptose 6-Epimerase Bound to Adp-Beta-D-Mannose Suggests a One Base Mechanism. Protein Sci., 19, 2010
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2VVZ
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![BU of 2vvz by Molmil](/molmil-images/mine/2vvz) | Structure of the catalytic domain of Streptococcus pneumoniae sialidase NanA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CHLORIDE ION, SIALIDASE A | Authors: | Xu, G, Li, X, Andrew, P.W, Taylor, G.L. | Deposit date: | 2008-06-13 | Release date: | 2008-06-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Catalytic Domain of Streptococcus Pneumoniae Sialidase Nana. Acta Crystallogr.,Sect.F, 64, 2008
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4RCT
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![BU of 4rct by Molmil](/molmil-images/mine/4rct) | Crystal structure of R-protein of NgoAVII restriction endonuclease | Descriptor: | Restriction endonuclease R.NgoVII | Authors: | Tamulaitiene, G, Silanskas, A, Grazulis, S, Zaremba, M, Siksnys, V. | Deposit date: | 2014-09-17 | Release date: | 2014-12-24 | Last modified: | 2014-12-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the R-protein of the multisubunit ATP-dependent restriction endonuclease NgoAVII. Nucleic Acids Res., 42, 2014
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2W3P
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![BU of 2w3p by Molmil](/molmil-images/mine/2w3p) | BoxC crystal structure | Descriptor: | BENZOYL-COA-DIHYDRODIOL LYASE, BETA-MERCAPTOETHANOL, GLYCEROL | Authors: | Bains, J, Boulanger, M.J. | Deposit date: | 2008-11-13 | Release date: | 2009-04-14 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Biophysical Characterization of Boxc from Burkholderia Xenovorans Lb400: A Novel Ring-Cleaving Enzyme in the Crotonase Superfamily. J.Biol.Chem., 284, 2009
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2W47
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![BU of 2w47 by Molmil](/molmil-images/mine/2w47) | Clostridium thermocellum CBM35 in complex with delta-4,5- anhydrogalacturonic acid | Descriptor: | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, LIPOLYTIC ENZYME, ... | Authors: | Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | Deposit date: | 2008-11-21 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.USA, 106, 2009
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2WC9
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![BU of 2wc9 by Molmil](/molmil-images/mine/2wc9) | Crystal structure of the g2p (large terminase) nuclease domain from the bacteriophage SPP1 with bound Mn | Descriptor: | MANGANESE (II) ION, SULFATE ION, TERMINASE LARGE SUBUNIT | Authors: | Smits, C, Chechik, M, Kovalevskiy, O.V, Shevtsov, M.B, Foster, A.W, Alonso, J.C, Antson, A.A. | Deposit date: | 2009-03-10 | Release date: | 2009-03-24 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for the Nuclease Activity of a Bacteriophage Large Terminase. Embo Rep., 10, 2009
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2VNO
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![BU of 2vno by Molmil](/molmil-images/mine/2vno) | Family 51 carbohydrate binding module from a family 98 glycoside hydrolase produced by Clostridium perfringens in complex with blood group B-trisaccharide ligand. | Descriptor: | CALCIUM ION, CPE0329, alpha-L-fucopyranose-(1-2)-[beta-D-galactopyranose-(1-3)]beta-D-galactopyranose | Authors: | Gregg, K.J, Finn, R, Abbott, D.W, Boraston, A.B. | Deposit date: | 2008-02-05 | Release date: | 2008-02-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules J.Biol.Chem., 283, 2008
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2VZ0
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![BU of 2vz0 by Molmil](/molmil-images/mine/2vz0) | Pteridine Reductase 1 (PTR1) from Trypanosoma Brucei in complex with NADP and DDD00066641 | Descriptor: | 6-(4-methylphenyl)quinazoline-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | Authors: | Robinson, D.A, Thompson, S, Sienkiewicz, N, Fairlamb, A.H. | Deposit date: | 2008-07-29 | Release date: | 2009-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development and Validation of a Cytochrome C Coupled Assay for Pteridine Reductase 1 and Dihydrofolate Reductase. Anal.Biochem., 396, 2010
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2VZQ
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2WAJ
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![BU of 2waj by Molmil](/molmil-images/mine/2waj) | Crystal structure of human Jnk3 complexed with a 1-aryl-3,4- dihydroisoquinoline inhibitor | Descriptor: | 1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE, MITOGEN-ACTIVATED PROTEIN KINASE 10 | Authors: | Bax, B.D, Christopher, J.A, Jones, E.J, Mosley, J.E. | Deposit date: | 2009-02-08 | Release date: | 2009-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 1-Aryl-3,4-Dihydroisoquinoline Inhibitors of Jnk3. Bioorg.Med.Chem.Lett., 19, 2009
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2VWV
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![BU of 2vwv by Molmil](/molmil-images/mine/2vwv) | ephB4 kinase domain inhibitor complex | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Kettle, J.G, Leach, A.G. | Deposit date: | 2008-06-27 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines Bioorg.Med.Chem.Lett., 18, 2008
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2WE6
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![BU of 2we6 by Molmil](/molmil-images/mine/2we6) | |