6AKX
| The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 | Descriptor: | C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ... | Authors: | Zhu, Y, Zhao, Q, Wu, B. | Deposit date: | 2018-09-04 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists. J. Med. Chem., 61, 2018
|
|
3F3M
| |
3JW1
| Crystal Structure of Bovine Pancreatic Ribonuclease Complexed with Uridine-5'-monophosphate at 1.60 A Resolution | Descriptor: | Ribonuclease pancreatic, URIDINE-5'-MONOPHOSPHATE | Authors: | Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, Mcpherson, A, Center for High-Throughput Structural Biology (CHTSB) | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of bovine pancreatic ribonuclease complexed with uridine 5'-monophosphate at 1.60 A resolution. Acta Crystallogr.,Sect.F, 66, 2010
|
|
4CRZ
| Direct visualisation of strain-induced protein prost-translational modification | Descriptor: | ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ... | Authors: | Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E. | Deposit date: | 2014-03-02 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A. Chem.Biol., 22, 2015
|
|
2XHD
| Crystal structure of N-((2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H- inden-2-yl)-2-propanesulfonamide in complex with the ligand binding domain of the human GluA2 receptor | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE, ... | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Andreotti, D, Ballantine, S, Bax, B.D, Harris, A.J, Harker, A.J, Lund, J, Melarange, R, Mingardi, A, Mookherjee, C, Mosley, J, Neve, M, Oliosi, B, Profeta, R, Smith, K.J, Smith, P.W, Spada, S, Thewlis, K.M, Yusaf, S.P. | Deposit date: | 2010-06-14 | Release date: | 2010-07-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of N-[(2S)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1H-Inden-2-Yl]-2-Propanesulfonamide, a Novel Clinical Ampa Receptor Positive Modulator. J.Med.Chem., 53, 2010
|
|
4CS0
| Direct visualisation of strain-induced protein post-translational modification | Descriptor: | ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ... | Authors: | Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E. | Deposit date: | 2014-03-02 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A. Chem.Biol., 22, 2015
|
|
3KSL
| Structure of FPT bound to DATFP-DH-GPP | Descriptor: | (2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate, Farnesyltransferase, CAAX box, ... | Authors: | Hovlid, M.L, Edelstein, R.L, Henry, O, Ochocki, J, DeGraw, A, Lenevich, S, Talbot, T, Young, V, Hruza, A.W, Lopez-Gallego, F, Labello, N.P, Strickland, C.L, Schmidt-Dannert, C, Distefano, M.D. | Deposit date: | 2009-11-23 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis, properties, and applications of diazotrifluropropanoyl-containing photoactive analogs of farnesyl diphosphate containing modified linkages for enhanced stability. Chem.Biol.Drug Des., 75, 2010
|
|
6LXY
| IRAK4 in complex with inhibitor | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide, SULFATE ION | Authors: | Ghosh, K, Bose, S. | Deposit date: | 2020-02-12 | Release date: | 2020-11-25 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis. Acs Med.Chem.Lett., 11, 2020
|
|
2VPS
| Structure Of The Bifunctional Leishmania Major Trypanothione Synthetase-Amidase | Descriptor: | BROMIDE ION, CHLORIDE ION, TRYPANOTHIONE SYNTHETASE | Authors: | Fyfe, P.K, Oza, S.L, Fairlamb, A.H, Hunter, W.N. | Deposit date: | 2008-03-04 | Release date: | 2008-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Leishmania Trypanothione Synthetase-Amidase Structure Reveals a Basis for Regulation of Conflicting Synthetic and Hydrolytic Activities. J.Biol.Chem., 283, 2008
|
|
6CCM
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | Descriptor: | 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|
6CCS
| |
2YAU
| X-ray structure of the Leishmania infantum tryopanothione reductase in complex with auranofin | Descriptor: | 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Baiocco, P, Ilari, A, Colotti, G. | Deposit date: | 2011-02-24 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A Gold-Containing Drug Against Parasitic Polyamine Metabolism: The X-Ray Structure of Trypanothione Reductase from Leishmania Infantum in Complex with Auranofin Reveals a Dual Mechanism of Enzyme Inhibition. Amino Acids, 42, 2012
|
|
6CCO
| |
6CCQ
| |
2WRD
| structure of H2 japan hemagglutinin | Descriptor: | HEMAGGLUTININ | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2009-09-01 | Release date: | 2009-09-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
2WRE
| structure of H2 japan hemagglutinin with human receptor | Descriptor: | HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2009-09-01 | Release date: | 2009-09-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
1F2J
| CRYSTAL STRUCTURE ANALYSIS OF ALDOLASE FROM T. BRUCEI | Descriptor: | FRUCTOSE-BISPHOSPHATE ALDOLASE, GLYCOSOMAL | Authors: | Chudzik, D.M, Michels, P.A, De Walque, S, Hol, W.G.J. | Deposit date: | 2000-05-25 | Release date: | 2000-07-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of type 2 peroxisomal targeting signals in two trypanosomatid aldolases. J.Mol.Biol., 300, 2000
|
|
2X50
| Crystal structure of Trypanothione reductase from Leishmania infantum in complex with NADPH and silver | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SILVER ION, ... | Authors: | Baiocco, P, Ilari, A, Colotti, G. | Deposit date: | 2010-02-03 | Release date: | 2011-01-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Inhibitory Effect of Silver Nanoparticles on Trypanothione Reductase Activity and Leishmania Infantum Proliferation Acs Med.Chem.Lett., 2, 2011
|
|
3IA6
| |
7FTD
| SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z27782662 | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
|
|
8VQ4
| CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | Descriptor: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
|
|
8VQ3
| CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | Descriptor: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | Deposit date: | 2024-01-17 | Release date: | 2024-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Expanding the ligandable proteome by paralog hopping with covalent probes. Biorxiv, 2024
|
|
4KXH
| The X-ray crystal structure of a dimeric variant of human pancreatic ribonuclease | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Pica, A, Merlino, A, Mazzarella, L, Sica, F. | Deposit date: | 2013-05-26 | Release date: | 2013-10-02 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Three-dimensional domain swapping and supramolecular protein assembly: insights from the X-ray structure of a dimeric swapped variant of human pancreatic RNase. Acta Crystallogr.,Sect.D, 69, 2013
|
|
3DWV
| |
6B5S
| Structure of PfCSP peptide 25 with human antibody CIS42 | Descriptor: | AMMONIUM ION, CIS42 Fab Heavy chain, CIS42 Fab Light chain, ... | Authors: | Pancera, M, Weidle, C. | Deposit date: | 2017-09-29 | Release date: | 2018-03-21 | Last modified: | 2019-01-09 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite. Nat. Med., 24, 2018
|
|