3KQO
 
 | | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine | | Descriptor: | 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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3KR1
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2NU7
 | | C123aS Mutant of E. coli Succinyl-CoA Synthetase | | Descriptor: | COENZYME A, PHOSPHATE ION, SULFATE ION, ... | | Authors: | Fraser, M.E. | | Deposit date: | 2006-11-08 | | Release date: | 2007-07-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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4IQ6
 | | Gsk-3beta with inhibitor 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine | | Descriptor: | 6-chloro-N-cyclohexyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine, Glycogen synthase kinase-3 beta | | Authors: | Tong, Y, Stewart, K.D, Florjancic, A.S, Harlan, J.E, Merta, P.J, Przytulinska, M, Soni, N, Swinger, K.S, Zhu, H, Johnson, E.F, Shoemaker, A.R, Penning, T.D. | | Deposit date: | 2013-01-10 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.
ACS Med Chem Lett, 4, 2013
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3FDR
 | | Crystal structure of TDRD2 | | Descriptor: | Tudor and KH domain-containing protein | | Authors: | Amaya, M.F, Adams, M.A, Guo, Y, Li, Y, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-26 | | Release date: | 2009-01-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Mouse Piwi interactome identifies binding mechanism of Tdrkh Tudor domain to arginine methylated Miwi
Proc.Natl.Acad.Sci.USA, 106, 2009
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1OV7
 | | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol | | Descriptor: | 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2003-03-25 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
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1OVH
 | | T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Chloro-6-Methyl-Aniline | | Descriptor: | 2-CHLORO-6-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2003-03-26 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
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1OWY
 | | T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Propyl-Aniline | | Descriptor: | 2-PROPYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2003-03-31 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
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1OV5
 | | T4 Lysozyme Cavity Mutant L99a/M102Q Bound With 2-Allylphenol | | Descriptor: | 2-ALLYLPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2003-03-25 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
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447D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' | | Descriptor: | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | | Deposit date: | 1999-01-18 | | Release date: | 2000-03-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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444D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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442D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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1OVJ
 | | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2-Methyl_Aniline | | Descriptor: | 3-FLUORO-2-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | Deposit date: | 2003-03-26 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
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1BBW
 | | LYSYL-TRNA SYNTHETASE (LYSS) | | Descriptor: | PROTEIN (LYSYL-TRNA SYNTHETASE) | | Authors: | Onesti, S, Desogus, G, Brevet, A, Chen, J, Plateau, P, Blanquet, S, Brick, P. | | Deposit date: | 1998-04-24 | | Release date: | 2000-11-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural studies of lysyl-tRNA synthetase: conformational changes induced by substrate binding.
Biochemistry, 39, 2000
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2OLC
 | | Crystal structure of 5-methylthioribose kinase in complex with ADP-2Ho | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ADENOSINE-5'-DIPHOSPHATE, HOLMIUM ATOM, ... | | Authors: | Ku, S.Y, Smith, G.D, Howell, P.L. | | Deposit date: | 2007-01-18 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ADP-2Ho as a phasing tool for nucleotide-containing proteins.
Acta Crystallogr.,Sect.D, 63, 2007
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2JF9
 | | ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A TAMOXIFEN-SPECIFIC PEPTIDE ANTAGONIST | | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYTAMOXIFEN, AB5 PEPTIDE, ... | | Authors: | Heldring, N, Pawson, T, McDonnell, D, Treuter, E, Gustafsson, J.A, Pike, A.C.W. | | Deposit date: | 2007-01-29 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors.
J.Biol.Chem., 282, 2007
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2MAT
 | | E.COLI METHIONINE AMINOPEPTIDASE AT 1.9 ANGSTROM RESOLUTION | | Descriptor: | COBALT (II) ION, PROTEIN (METHIONINE AMINOPEPTIDASE), SODIUM ION | | Authors: | Lowther, W.T, Orville, A.M, Madden, D.T, Lim, S, Rich, D.H, Matthews, B.W. | | Deposit date: | 1999-03-29 | | Release date: | 1999-06-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Escherichia coli methionine aminopeptidase: implications of crystallographic analyses of the native, mutant, and inhibited enzymes for the mechanism of catalysis.
Biochemistry, 38, 1999
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2DUB
 | | ENOYL-COA HYDRATASE COMPLEXED WITH OCTANOYL-COA | | Descriptor: | 2-ENOYL-COA HYDRATASE, OCTANOYL-COENZYME A | | Authors: | Engel, C.K, Wierenga, R.K. | | Deposit date: | 1997-04-28 | | Release date: | 1998-04-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of enoyl-CoA hydratase complexed with octanoyl-CoA reveals the structural adaptations required for binding of a long chain fatty acid-CoA molecule.
J.Mol.Biol., 275, 1998
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2DTR
 | | STRUCTURE OF DIPHTHERIA TOXIN REPRESSOR | | Descriptor: | COBALT (II) ION, DIPHTHERIA TOXIN REPRESSOR, SULFATE ION | | Authors: | Qiu, X, Pohl, E, Hol, W.G. | | Deposit date: | 1996-07-26 | | Release date: | 1997-08-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution structure of the diphtheria toxin repressor complexed with cobalt and manganese reveals an SH3-like third domain and suggests a possible role of phosphate as co-corepressor.
Biochemistry, 35, 1996
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2PCD
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE FROM PSEUDOMONAS AERUGINOSA AT 2.15 ANGSTROMS RESOLUTION | | Descriptor: | FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE (ALPHA CHAIN), PROTOCATECHUATE 3,4-DIOXYGENASE (BETA CHAIN) | | Authors: | Ohlendorf, D.H, Orville, A.M, Lipscomb, J.D. | | Deposit date: | 1994-06-21 | | Release date: | 1994-12-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of protocatechuate 3,4-dioxygenase from Pseudomonas aeruginosa at 2.15 A resolution.
J.Mol.Biol., 244, 1994
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3T4Q
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8J9N
 | | Gq bound FZD1 in ligand-free state | | Descriptor: | Frizzled-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Lin, X, Xu, F. | | Deposit date: | 2023-05-04 | | Release date: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
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8QTC
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2YQS
 | | Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the product-binding form | | Descriptor: | GLYCEROL, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A. | | Deposit date: | 2007-03-30 | | Release date: | 2007-05-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
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8JM9
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