4HKY
| New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Faropenem | Descriptor: | (2R)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-5-[(2R)-oxolan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylic acid, (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, Beta-lactamase NDM-1, ... | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2012-10-15 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Faropenem To be Published
|
|
1YGY
| |
6OZ8
| |
5V42
| |
5V3Y
| |
4GYU
| Crystal Structure of New Delhi Metallo-beta-Lactamase-1 A121F mutant from Klebsiella pneumoniae | Descriptor: | Beta-lactamase NDM-1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2012-09-05 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 A121F mutant from Klebsiella pneumoniae To be Published, 2012
|
|
1ICM
| ESCHERICHIA COLI-DERIVED RAT INTESTINAL FATTY ACID BINDING PROTEIN WITH BOUND MYRISTATE AT 1.5 A RESOLUTION AND I-FABPARG106-->GLN WITH BOUND OLEATE AT 1.74 A RESOLUTION | Descriptor: | INTESTINAL FATTY ACID BINDING PROTEIN, MYRISTIC ACID | Authors: | Eads, J.C, Sacchettini, J.C, Kromminga, A, Gordon, J.I. | Deposit date: | 1993-09-20 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Escherichia coli-derived rat intestinal fatty acid binding protein with bound myristate at 1.5 A resolution and I-FABPArg106-->Gln with bound oleate at 1.74 A resolution. J.Biol.Chem., 268, 1993
|
|
5V3Z
| |
5V41
| |
5V40
| |
5V3X
| |
1ICN
| ESCHERICHIA COLI-DERIVED RAT INTESTINAL FATTY ACID BINDING PROTEIN WITH BOUND MYRISTATE AT 1.5 A RESOLUTION AND I-FABPARG106-->GLN WITH BOUND OLEATE AT 1.74 A RESOLUTION | Descriptor: | INTESTINAL FATTY ACID BINDING PROTEIN, OLEIC ACID | Authors: | Eads, J.C, Sacchettini, J.C, Kromminga, A, Gordon, J.I. | Deposit date: | 1993-09-20 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Escherichia coli-derived rat intestinal fatty acid binding protein with bound myristate at 1.5 A resolution and I-FABPArg106-->Gln with bound oleate at 1.74 A resolution. J.Biol.Chem., 268, 1993
|
|
5V3W
| |
4FOG
| Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-20 | Release date: | 2013-08-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition To be Published
|
|
4FOX
| Crystal Structure of Mtb ThyA in complex with dUMP and Raltitrexed | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Harshbarger, W, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-21 | Release date: | 2013-08-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition To be Published
|
|
4I7E
| Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A in Complex with PEP | Descriptor: | 6-phosphofructokinase, PHOSPHOENOLPYRUVATE | Authors: | Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | Deposit date: | 2012-11-30 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase. Biochemistry, 52, 2013
|
|
2B77
| Human transthyretin (TTR) complexed with Diflunisal analogues- TTR.2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID | Descriptor: | 2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID, Transthyretin | Authors: | Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2005-10-03 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis. J.Med.Chem., 47, 2004
|
|
4I4I
| Crystal Structure of Bacillus stearothermophilus Phosphofructokinase mutant T156A bound to PEP | Descriptor: | 6-phosphofructokinase, PHOSPHOENOLPYRUVATE | Authors: | Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | Deposit date: | 2012-11-27 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4948 Å) | Cite: | Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase. Biochemistry, 52, 2013
|
|
2B9A
| Human transthyretin (TTR) complexed with diflunisal analogues- TTR.3',5'-difluorobiphenyl-4-carboxylic acid | Descriptor: | 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID, Transthyretin | Authors: | Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2005-10-11 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Diflunisal Analogues Stabilize the Native State of Transthyretin. Potent Inhibition of Amyloidogenesis. J.Med.Chem., 47, 2004
|
|
4QXM
| Crystal structure of the InhA:GSK_SB713 complex | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Gulten, G, Sacchettini, J.C. | Deposit date: | 2014-07-21 | Release date: | 2015-07-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity. Chemmedchem, 11, 2016
|
|
2F7I
| Human transthyretin (TTR) complexed with diflunisal analogues- TTR. 2',6'-Difluorobiphenyl-4-carboxylic Acid | Descriptor: | 2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID, Transthyretin | Authors: | Palaninathan, S.K, Kelly, J.W, Sacchettini, J.C. | Deposit date: | 2005-11-30 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Diflunisal Analogues Stabilize the Native State of Transthyretin. Potent Inhibition of Amyloidogenesis. J.Med.Chem., 47, 2004
|
|
2FLM
| |
2FBR
| |
4FND
| Crystal structure of the Mtb enoyl CoA isomerase in complex with hydroxyhexanoyl CoA | Descriptor: | (S)-3-Hydroxyhexanoyl-CoA, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION | Authors: | Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-06-19 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase To be Published
|
|
3GS4
| Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15) | Descriptor: | 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | Deposit date: | 2009-03-26 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Plos One, 4, 2009
|
|