8ADK
 
 | |
8ADJ
 | | Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272 | | Descriptor: | 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ariza, A, Fontana, P. | | Deposit date: | 2022-07-08 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.508 Å) | | Cite: | Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling.
Nat Commun, 14, 2023
|
|
8AON
 | |
4DSA
 | | Crystal Structure of DPP-IV with Compound C1 | | Descriptor: | 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide, Dipeptidyl peptidase 4 | | Authors: | Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. | | Deposit date: | 2012-02-18 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal Structure of DPP-IV with Compound C1
To be Published
|
|
4DTG
 | | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Humanized recombinant FAB fragment, ... | | Authors: | Svensson, L.A, Breinholt, J, Krogh, B.O, Hilden, I. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model.
Blood, 119, 2012
|
|
2X3D
 | | Crystal Structure of SSo6206 from Sulfolobus solfataricus P2 | | Descriptor: | SSO6206 | | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, McEwan, A.R, White, M.F, Naismith, J.H. | | Deposit date: | 2010-01-24 | | Release date: | 2010-07-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Scottish Structural Proteomics Facility: targets, methods and outputs.
J. Struct. Funct. Genomics, 11, 2010
|
|
2X5H
 | | Crystal structure of the ORF131 L26M L51M double mutant from Sulfolobus islandicus rudivirus 1 | | Descriptor: | ORF 131, SULFATE ION | | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Naismith, J.H, White, M.F. | | Deposit date: | 2010-02-08 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genom., 11, 2010
|
|
2X3F
 | | Crystal Structure of the Methicillin-Resistant Staphylococcus aureus Sar2676, a Pantothenate Synthetase. | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PANTHOTHENATE SYNTHETASE, SULFATE ION | | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | | Deposit date: | 2010-01-24 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genom., 11, 2010
|
|
4EQX
 | | Crystal Structure of the C43S Mutant of Staphylococcus aureus CoADR | | Descriptor: | CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Edwards, J.S, Wallace, B.D, Wallen, J.R, Claiborne, A, Redinbo, M.R. | | Deposit date: | 2012-04-19 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
|
|
2VWX
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide, EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | | Deposit date: | 2008-06-27 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
2WSA
 | | Crystal Structure of Leishmania major N-myristoyltransferase (NMT) with bound myristoyl-CoA and a pyrazole sulphonamide ligand (DDD85646) | | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-04 | | Release date: | 2010-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | N-Myristoyltransferase Inhibitors as New Leads to Treat Sleeping Sickness.
Nature, 464, 2010
|
|
2X5D
 | | Crystal Structure of a probable aminotransferase from Pseudomonas aeruginosa | | Descriptor: | PROBABLE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | | Deposit date: | 2010-02-08 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genom., 11, 2010
|
|
4DQ5
 | | Structural Investigation of Bacteriophage Phi6 Lysin (WT) | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Membrane protein Phi6 P5wt | | Authors: | Dessau, M.A, Modis, Y. | | Deposit date: | 2012-02-15 | | Release date: | 2013-01-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | Selective pressure causes an RNA virus to trade reproductive fitness for increased structural and thermal stability of a viral enzyme.
PLoS Genet, 8, 2012
|
|
2X5T
 | | Crystal structure of ORF131 from Sulfolobus islandicus rudivirus 1 | | Descriptor: | MALONATE ION, ORF 131 | | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Naismith, J.H, White, M.F. | | Deposit date: | 2010-02-10 | | Release date: | 2010-07-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
|
|
2B4T
 | | Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 Angstrom resolution reveals intriguing extra electron density in the active site | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Robien, M.A, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | | Deposit date: | 2005-09-26 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 A resolution reveals intriguing extra electron density in the active site
Proteins, 62, 2006
|
|
4AWI
 | | Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor. | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION | | Authors: | Chung, C, Vicentini, G, Liddle, J, Bamborough, P. | | Deposit date: | 2012-06-03 | | Release date: | 2013-05-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | 4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
2VEU
 | | Crystal structure of protein tyrosine phosphatase 1B in complex with an isothiazolidinone-containing inhibitor | | Descriptor: | N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
|
|
4CAW
 | | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | | Descriptor: | 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | | Deposit date: | 2013-10-09 | | Release date: | 2014-09-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
|
|
2B4P
 | |
4EMW
 | | Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor EtVC-CoA | | Descriptor: | CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Edwards, J.S, Wallace, B.D, Claiborne, A, Redinbo, M.R. | | Deposit date: | 2012-04-12 | | Release date: | 2012-10-17 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
|
|
2X7B
 | | Crystal structure of the N-terminal acetylase Ard1 from Sulfolobus solfataricus P2 | | Descriptor: | CHLORIDE ION, COENZYME A, N-ACETYLTRANSFERASE SSO0209 | | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, Mackay, D, White, M.F, Taylor, G.L, Naismith, J.H. | | Deposit date: | 2010-02-25 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
|
|
4EQR
 | | Crystal structure of the Y361F mutant of Staphylococcus aureus CoADR | | Descriptor: | CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... | | Authors: | Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R. | | Deposit date: | 2012-04-19 | | Release date: | 2012-10-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights.
Biochemistry, 51, 2012
|
|
2X5R
 | | Crystal Structure of the hypothetical protein ORF126 from Pyrobaculum spherical virus | | Descriptor: | HYPOTHETICAL PROTEIN ORF126, ZINC ION | | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | | Deposit date: | 2010-02-10 | | Release date: | 2010-07-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
|
|
2X4K
 | | Crystal structure of SAR1376, a putative 4-oxalocrotonate tautomerase from the methicillin-resistant Staphylococcus aureus (MRSA) | | Descriptor: | 4-OXALOCROTONATE TAUTOMERASE, ACETATE ION, PHOSPHATE ION, ... | | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | | Deposit date: | 2010-02-01 | | Release date: | 2010-07-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
|
|
2AX0
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5x) | | Descriptor: | 5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | Authors: | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | Deposit date: | 2005-09-02 | | Release date: | 2006-01-24 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
|
|
