6SXY
| |
6SYA
| |
5HJ1
| Crystal structure of PDZ domain of pullulanase C protein of type II secretion system from Klebsiella pneumoniae in complex with fatty acid | Descriptor: | Pullulanase C protein, VACCENIC ACID | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-12 | Release date: | 2016-02-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of PDZ domain of pullulanase C protein of type II secretion system from Klebsiella pneumoniae in complex with fatty acid To Be Published
|
|
6TCA
| Phosphorylated p38 and MAPKAPK2 complex with inhibitor | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | Authors: | Sok, P, Remenyi, A. | Deposit date: | 2019-11-05 | Release date: | 2020-07-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases. Structure, 28, 2020
|
|
5HL3
| Crystal structure of Listeria monocytogenes InlP | Descriptor: | CALCIUM ION, CHLORIDE ION, Lmo2470 protein | Authors: | Nocadello, S, Light, S.H, Minasov, G, Kiryukhina, O, Kwon, K, Faralla, C, Bakardjiev, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-14 | Release date: | 2017-01-18 | Last modified: | 2021-01-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Listeria monocytogenes InlP interacts with afadin and facilitates basement membrane crossing. Plos Pathog., 14, 2018
|
|
2FI4
| Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2005-12-27 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor. J.Mol.Biol., 382, 2008
|
|
2OG1
| Crystal Structure of BphD, a C-C hydrolase from Burkholderia xenovorans LB400 | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, ETHANOL, GLYCEROL, ... | Authors: | Dai, S, Ke, J, Bolin, J.T. | Deposit date: | 2007-01-04 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Kinetic and structural insight into the mechanism of BphD, a C-C bond hydrolase from the biphenyl degradation pathway Biochemistry, 45, 2006
|
|
1WBS
| Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | Descriptor: | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | Deposit date: | 2004-11-05 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
|
|
1WBV
| Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | Descriptor: | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | Deposit date: | 2004-11-05 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
|
|
1WBW
| Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. | Descriptor: | 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. | Deposit date: | 2004-11-05 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation J.Med.Chem., 48, 2005
|
|
1RXH
| Crystal structure of streptavidin mutant L124R (M1) complexed with biotinyl p-nitroanilide (BNI) | Descriptor: | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE, Streptavidin | Authors: | Eisenberg-Domovich, Y, Pazy, Y, Nir, O, Raboy, B, Bayer, E.A, Wilchek, M, Livnah, O. | Deposit date: | 2003-12-18 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural elements responsible for conversion of streptavidin to a pseudoenzyme Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
1S5Q
| Solution Structure of Mad1 SID-mSin3A PAH2 Complex | Descriptor: | MAD protein, Sin3a protein | Authors: | Swanson, K.A, Knoepfler, P.S, Huang, K, Kang, R.S, Cowley, S.M, Laherty, C.D, Eisenman, R.N, Radhakrishnan, I. | Deposit date: | 2004-01-21 | Release date: | 2004-07-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | HBP1 and Mad1 repressors bind the Sin3 corepressor PAH2 domain with opposite helical orientations. Nat.Struct.Mol.Biol., 11, 2004
|
|
1S7L
| RimL- Ribosomal L7/L12 alpha-N-protein acetyltransferase in complex with Coenzyme A (CoA-Cys134 Disulfide) | Descriptor: | COENZYME A, SULFATE ION, acetyl transferase | Authors: | Vetting, M.W, de Carvalho, L.P, Roderick, S.L, Blanchard, J.S. | Deposit date: | 2004-01-29 | Release date: | 2005-03-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A novel dimeric structure of the RimL Nalpha-acetyltransferase from Salmonella typhimurium. J.Biol.Chem., 280, 2005
|
|
1S7K
| |
1S7N
| Ribosomal L7/L12 alpha-N-protein acetyltransferase in complex with Coenzyme A (CoA free sulfhydryl) | Descriptor: | COENZYME A, acetyl transferase | Authors: | Vetting, M.W, de Carvalho, L.P, Roderick, S.L, Blanchard, J.S. | Deposit date: | 2004-01-29 | Release date: | 2005-03-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A novel dimeric structure of the RimL Nalpha-acetyltransferase from Salmonella typhimurium. J.Biol.Chem., 280, 2005
|
|
6EKO
| Crystal structure of Type IIP restriction endonuclease PfoI with cognate DNA | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*GP*CP*TP*CP*CP*CP*GP*GP*AP*GP*CP*GP*T)-3'), Restriction endonuclease PfoI | Authors: | Tamulaitiene, G, Manakova, E, Jovaisaite, V, Grazulis, S, Siksnys, V. | Deposit date: | 2017-09-26 | Release date: | 2018-10-10 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.284 Å) | Cite: | Unique mechanism of target recognition by PfoI restriction endonuclease of the CCGG-family. Nucleic Acids Res., 47, 2019
|
|
5TBE
| Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2 | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2016-09-12 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
6EOG
| Human galectin-3c in complex with a galactose derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3, ... | Authors: | Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T. | Deposit date: | 2017-10-09 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Monosaccharide Derivatives with Low-Nanomolar Lectin Affinity and High Selectivity Based on Combined Fluorine-Amide, Phenyl-Arginine, Sulfur-pi , and Halogen Bond Interactions. ChemMedChem, 13, 2018
|
|
6EKI
| |
6EOL
| Human galectin-3c in complex with a galactose derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T. | Deposit date: | 2017-10-09 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Monosaccharide Derivatives with Low-Nanomolar Lectin Affinity and High Selectivity Based on Combined Fluorine-Amide, Phenyl-Arginine, Sulfur-pi , and Halogen Bond Interactions. ChemMedChem, 13, 2018
|
|
6EXY
| Neutron crystal structure of perdeuterated galectin-3C in complex with glycerol | Descriptor: | GLYCEROL, Galectin-3 | Authors: | Manzoni, F, Schrader, T.E, Ostermann, A, Oksanen, E, Logan, D.T. | Deposit date: | 2017-11-10 | Release date: | 2018-09-12 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | Cite: | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
|
|
6F29
| Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A | Descriptor: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2017-11-23 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation. J. Med. Chem., 61, 2018
|
|
6EZE
| The open conformation of E.coli Elongation Factor Tu in complex with GDPNP. | Descriptor: | DI(HYDROXYETHYL)ETHER, Elongation factor Tu 2, GLYCEROL, ... | Authors: | Johansen, J.S, Blaise, M, Thirup, S.S. | Deposit date: | 2017-11-15 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | E. coli elongation factor Tu bound to a GTP analogue displays an open conformation equivalent to the GDP-bound form. Nucleic Acids Res., 46, 2018
|
|
6F2P
| Structure of Paenibacillus xanthan lyase to 2.6 A resolution | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Lo Leggio, L, Kadziola, A. | Deposit date: | 2017-11-27 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Dynamics of a Promiscuous Xanthan Lyase from Paenibacillus nanensis and the Design of Variants with Increased Stability and Activity. Cell Chem Biol, 26, 2019
|
|
6F6Y
| |