1QR0
 
 | | CRYSTAL STRUCTURE OF THE 4'-PHOSPHOPANTETHEINYL TRANSFERASE SFP-COENZYME A COMPLEX | | Descriptor: | 4'-PHOSPHOPANTETHEINYL TRANSFERASE SFP, COENZYME A, MAGNESIUM ION | | Authors: | Reuter, K, Mofid, R.M, Marahiel, A.M, Ficner, R. | | Deposit date: | 1999-06-17 | | Release date: | 1999-12-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the surfactin synthetase-activating enzyme sfp: a prototype of the 4'-phosphopantetheinyl transferase superfamily.
EMBO J., 18, 1999
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4L8A
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in ternary complex with N-Phenylacetyl-Gly-AcLys and CoA | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, N-(phenylacetyl)glycyl-N~6~-acetyl-L-lysine, ... | | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-06-16 | | Release date: | 2013-07-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa.
J.Biol.Chem., 288, 2013
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1OYT
 | | COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR | | Descriptor: | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE, CALCIUM ION, Hirudin IIB, ... | | Authors: | Banner, D.W, Olsen, J.A. | | Deposit date: | 2003-04-07 | | Release date: | 2003-06-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions.
Angew.Chem.Int.Ed.Engl., 42, 2003
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4KUB
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with CoA | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, GNAT superfamily acetyltransferase PA4794, ... | | Authors: | Majorek, K.A, Chruszcz, M, Osinski, T, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-21 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa.
J.Biol.Chem., 288, 2013
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1N71
 | | Crystal structure of aminoglycoside 6'-acetyltransferase type Ii in complex with coenzyme A | | Descriptor: | COENZYME A, SULFATE ION, aac(6')-Ii | | Authors: | Burk, D.L, Ghuman, N, Wybenga-Groot, L.E, Berghuis, A.M. | | Deposit date: | 2002-11-12 | | Release date: | 2003-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray structure of the AAC(6')-Ii antibiotic resistance enzyme at 1.8 A resolution; examination of oligomeric arrangements in GNAT superfamily members
Protein Sci., 12, 2003
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3GAR
 | | A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION | | Authors: | Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A. | | Deposit date: | 1998-05-13 | | Release date: | 1998-08-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A.
J.Mol.Biol., 281, 1998
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4O4L
 | | Tubulin-Peloruside A-Epothilone A complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ... | | Authors: | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | | Deposit date: | 2013-12-18 | | Release date: | 2014-03-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4BBX
 | | Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia | | Descriptor: | 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Bartolome-Nebreda, J.M, Conde-Ceide, S, Delgado, F, Martin, M.L, Martinez-Viturro, C.M, Pastor, J, Tong, H.M, Iturrino, L, Macdonald, G.J, Sanderson, W, Megens, A, Langlois, X, Somers, M, Vanhoof, G. | | Deposit date: | 2012-09-28 | | Release date: | 2013-10-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia.
J.Med.Chem., 57, 2014
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4AOF
 | | Selective small molecule inhibitor discovered by chemoproteomic assay platform reveals regulation of Th17 cell differentiation by PI3Kgamma | | Descriptor: | N-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | Authors: | Bergamini, G, Bell, K, Shimamura, S, Werner, T, Cansfield, A, Muller, K, Perrin, J, Rau, C, Ellard, K, Hopf, C, Doce, C, Leggate, D, Mangano, R, Mathieson, T, OMahony, A, Plavec, I, Rharbaoui, F, Reinhard, F, Savitski, M.M, Ramsden, N, Hirsch, E, Drewes, G, Rausch, O, Bantscheff, M, Neubauer, G. | | Deposit date: | 2012-03-26 | | Release date: | 2012-05-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A Selective Inhibitor Reveals Pi3Kgamma Dependence of T(H)17 Cell Differentiation.
Nat.Chem.Biol., 8, 2012
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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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1PN4
 | | Crystal structure of 2-enoyl-CoA hydratase 2 domain of Candida tropicalis multifunctional enzyme type 2 complexed with (3R)-hydroxydecanoyl-CoA. | | Descriptor: | 1,2-ETHANEDIOL, 3R-HYDROXYDECANOYL-COENZYME A, Peroxisomal hydratase-dehydrogenase-epimerase | | Authors: | Koski, M.K, Haapalainen, A.M, Hiltunen, J.K, Glumoff, T. | | Deposit date: | 2003-06-12 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A Two-domain Structure of One Subunit Explains Unique Features of Eukaryotic Hydratase 2.
J.Biol.Chem., 279, 2004
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7Z6L
 | | Crystal structure of PROTAC 5 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Roy, M.J, Bader, G, Farnaby, W, Ciulli, A. | | Deposit date: | 2022-03-12 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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4HUR
 | | Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with acetyl coenzyme A | | Descriptor: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Minasov, G, Evdokimova, E, Wawrzak, Z, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-11-03 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA.
Antimicrob.Agents Chemother., 58, 2014
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4MHI
 | | Crystal structure of a H5N1 influenza virus hemagglutinin from A/goose/Guangdong/1/96 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | Zhu, X, Wilson, I.A. | | Deposit date: | 2013-08-29 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | A Unique and Conserved Neutralization Epitope in H5N1 Influenza Viruses Identified by an Antibody against the A/Goose/Guangdong/1/96 Hemagglutinin.
J.Virol., 87, 2013
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4MHH
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3EBX
 | | REFINEMENT AT 1.4 ANGSTROMS RESOLUTION OF A MODEL OF ERABUTOXIN B. TREATMENT OF ORDERED SOLVENT AND DISCRETE DISORDER | | Descriptor: | ERABUTOXIN B, SULFATE ION | | Authors: | Smith, J.L, Corfield, P.W.R, Hendrickson, W.A, Low, B.W. | | Deposit date: | 1988-01-15 | | Release date: | 1988-04-16 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Refinement at 1.4 A resolution of a model of erabutoxin b: treatment of ordered solvent and discrete disorder.
Acta Crystallogr.,Sect.A, 44, 1988
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3IO7
 | | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | | Descriptor: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | | Deposit date: | 2009-08-13 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
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4EU9
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3OA9
 | | Effector domain of influenza A/Duck/Albany/76 NS1 | | Descriptor: | Non-structural protein 1 | | Authors: | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | | Deposit date: | 2010-08-05 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain.
Plos One, 6, 2011
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3IOK
 | | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | | Descriptor: | 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2 | | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | | Deposit date: | 2009-08-14 | | Release date: | 2009-11-10 | | Last modified: | 2013-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
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3EML
 | | The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385. | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Human Adenosine A2A receptor/T4 lysozyme chimera, STEARIC ACID, ... | | Authors: | Jaakola, V.-P, Griffith, M.T, Hanson, M.A, Cherezov, V, Chien, E.Y.T, Lane, J.R, Ijzerman, A.P, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2008-09-24 | | Release date: | 2008-10-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist.
Science, 322, 2008
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3KF7
 | | Crystal Structure of Human p38alpha Complexed With a Triazolopyrimidine compound | | Descriptor: | 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide, Mitogen-activated protein kinase 14 | | Authors: | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Xing, L, Jerome, K.D. | | Deposit date: | 2009-10-27 | | Release date: | 2009-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Continued exploration of the triazolopyridine scaffold as a platform for p38 MAP kinase inhibition.
Bioorg.Med.Chem.Lett., 20, 2010
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4L89
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with covalently bound CoA | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, SULFATE ION, ... | | Authors: | Majorek, K.A, Chruszcz, M, Maclean, E, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-06-16 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa.
J.Biol.Chem., 288, 2013
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4O4I
 | | Tubulin-Laulimalide-Epothilone A complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ... | | Authors: | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | | Deposit date: | 2013-12-18 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4JJM
 | | Structure of a cyclophilin from Citrus sinensis (CsCyp) in complex with cyclosporin A | | Descriptor: | Peptidyl-prolyl cis-trans isomerase, cyclosporin A | | Authors: | Campos, B.M, Ambrosio, A.L.B, Souza, T.A.C.B, Barbosa, J.A.R.G, Benedetti, C.E. | | Deposit date: | 2013-03-08 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A redox 2-cys mechanism regulates the catalytic activity of divergent cyclophilins.
Plant Physiol., 162, 2013
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