5KJL
 
 | | SMYD2 in complex with AZ378 | | Descriptor: | N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-20 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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5JC9
 | | Structure of the Escherichia coli ribosome with the U1052G mutation in the 16S rRNA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | | Authors: | Cocozaki, A, Ferguson, A. | | Deposit date: | 2016-04-14 | | Release date: | 2016-07-06 | | Last modified: | 2016-08-03 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5J7L
 | | Structure of the 70S E coli ribosome with the U1052G mutation in the 16S rRNA bound to tetracycline | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | | Authors: | Cocozaki, A, Ferguson, A. | | Deposit date: | 2016-04-06 | | Release date: | 2016-07-27 | | Last modified: | 2018-08-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4F9Y
 | | Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2012-05-21 | | Release date: | 2013-06-05 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
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5KJN
 | | SMYD2 in complex with AZ506 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ... | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-20 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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4F9W
 | | Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2012-05-21 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
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4F9T
 | | Ribosomal protein L1 from Thermus thermophilus with substitution Thr217Ala | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L1, ... | | Authors: | Kljashtorny, V.G, Volchkov, S.A, Nikonova, E.Y, Kostareva, O.S, Tishchenko, S.V, Nevskaya, N.A, Nikonov, S.V. | | Deposit date: | 2012-05-21 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | [Crystal structures of mutant ribosomal proteins L1].
MOL.BIOL.(MOSCOW), 41, 2007
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4FA2
 | | Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063 | | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2012-05-21 | | Release date: | 2013-06-05 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
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5J8A
 | | Structure of the E coli 70S ribosome with the U1052G mutation in 16S rRNA bound to tigecycline | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | | Authors: | Cocozaki, A, Ferguson, A. | | Deposit date: | 2016-04-07 | | Release date: | 2016-07-06 | | Last modified: | 2016-08-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4DQ2
 | | Structure of staphylococcus aureus biotin protein ligase in complex with biotinol-5'-amp | | Descriptor: | ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE, Biotin-[acetyl-CoA-carboxylase] ligase | | Authors: | Wilce, M, Yap, M, Pendini, N, Soares de Costa, T, Polyak, S, Tieu, W, Booker, G, Wallace, J. | | Deposit date: | 2012-02-14 | | Release date: | 2012-04-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Selective inhibition of biotin protein ligase from Staphylococcus aureus.
J.Biol.Chem., 287, 2012
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4BWL
 | | Structure of the Y137A mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate, N-acetyl-D-mannosamine and N- acetylneuraminic acid | | Descriptor: | 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, N-ACETYLNEURAMINATE LYASE, ... | | Authors: | Campeotto, I, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | | Deposit date: | 2013-07-03 | | Release date: | 2014-02-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Reaction Mechanism of N-Acetylneuraminic Acid Lyase Revealed by a Combination of Crystallography, Qm/Mm Simulation and Mutagenesis.
Acs Chem.Biol., 9, 2014
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5JQT
 | | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 | | Descriptor: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, 2,1-benzoxaborol-1(3H)-ol, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | | Authors: | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | | Deposit date: | 2016-05-05 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
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5JZ7
 | | NGF IN COMPLEX WITH MEDI578 scFv | | Descriptor: | Beta-nerve growth factor, MEDI578 scFv, heavy chain, ... | | Authors: | Olsson, L.-L, Aagaard, A. | | Deposit date: | 2016-05-16 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Engineering the surface properties of a human monoclonal antibody prevents self-association and rapid clearance in vivo.
Sci Rep, 6, 2016
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4C3S
 | | Structure of a propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment | | Descriptor: | ALDEHYDE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Marles-Wright, J, Crawshaw, A, Ang, T.F, Altenbach, K. | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Insight Into Coenzyme a Cofactor Binding and the Mechanism of Acyl-Transfer in an Acylating Aldehyde Dehydrogenase from Clostridium Phytofermentans.
Sci.Rep., 6, 2016
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4FDV
 | | CobH from Rhodobacter capsulatus (SB1003) in complex with HBA | | Descriptor: | 3-[(1R,2R,3R,5R,6S,7R,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid, GLYCEROL, Precorrin-8X methylmutase | | Authors: | Pickersgill, R.W, Schroeder, S, Deery, E, Warren, M.J. | | Deposit date: | 2012-05-29 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | An enzyme-trap approach allows isolation of intermediates in cobalamin biosynthesis.
Nat.Chem.Biol., 8, 2012
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5KJM
 | | SMYD2 in complex with AZ931 | | Descriptor: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ... | | Authors: | Ferguson, A. | | Deposit date: | 2016-06-20 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
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2HOC
 | | Crystal structure of the human carbonic anhydrase II in complex with the 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide inhibitor | | Descriptor: | 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Menchise, V, Di Fiore, A, De Simone, G. | | Deposit date: | 2006-07-14 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II.
Bioorg.Med.Chem.Lett., 16, 2006
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4F3T
 | | Human Argonaute-2 - miR-20a complex | | Descriptor: | PHENOL, Protein argonaute-2, RNA (5'-R(P*UP*AP*AP*AP*GP*UP*GP*CP*UP*UP*AP*UP*AP*GP*UP*G*CP*AP*GP*G)-3') | | Authors: | Elkayam, E, Kuhn, C.-D, Tocilj, A, Joshua-Tor, L. | | Deposit date: | 2012-05-09 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Structure of Human Argonaute-2 in Complex with miR-20a.
Cell(Cambridge,Mass.), 150, 2012
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2L3Y
 | | Solution structure of mouse IL-6 | | Descriptor: | Interleukin-6 | | Authors: | Veverka, V, Redpath, N.T, Carrington, B, Muskett, F.W, Taylor, R.J, Henry, A.J, Carr, M.D. | | Deposit date: | 2010-09-25 | | Release date: | 2011-09-28 | | Last modified: | 2013-01-02 | | Method: | SOLUTION NMR | | Cite: | Conservation of functional sites on interleukin-6 and implications for evolution of signaling complex assembly and therapeutic intervention.
J.Biol.Chem., 287, 2012
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4CKA
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFS) | | Descriptor: | (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-31 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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4CL6
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine | | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine | | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | Deposit date: | 2014-01-13 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba.
J.Mol.Biol., 428, 2016
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4CK8
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-(4-(3,4- dichlorophenyl)piperazin-1-yl)phenylcarbamate (LFD) | | Descriptor: | (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-30 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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4CK9
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFT) | | Descriptor: | (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-31 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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4FQ9
 | | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa | | Descriptor: | 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, GLYCEROL, PHOSPHATE ION | | Authors: | Moynie, L, Mcmahon, S.A, Duthie, F.G, Naismith, J.H. | | Deposit date: | 2012-06-25 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural insights into the mechanism and inhibition of the beta-hydroxydecanoyl-acyl carrier protein dehydratase from Pseudomonas aeruginosa
J.Mol.Biol., 425, 2013
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4FJO
 | | Structure of the Rev1 CTD-Rev3/7-Pol kappa RIR complex | | Descriptor: | DNA polymerase kappa, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ... | | Authors: | Wojtaszek, J, Lee, C.-J, Zhou, P. | | Deposit date: | 2012-06-11 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.718 Å) | | Cite: | Structural basis of Rev1-mediated assembly of a quaternary vertebrate translesion polymerase complex consisting of Rev1, heterodimeric Pol zeta and Pol kappa
J.Biol.Chem., 287, 2012
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