4D43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d43 by Molmil](/molmil-images/mine/4d43) | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | Deposit date: | 2014-10-26 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
|
|
4D44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d44 by Molmil](/molmil-images/mine/4d44) | Crystal structure of S. aureus FabI in complex with NADP and 5-ethyl- 4-fluoro-2-((2-fluoropyridin-3-yl)oxy)phenol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | Deposit date: | 2014-10-26 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
|
|
4D41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d41 by Molmil](/molmil-images/mine/4d41) | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(4-nitrophenoxy)phenol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5-HEXYL-2-(4-NITROPHENOXY)PHENOL, ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | Deposit date: | 2014-10-26 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
|
|
4D46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d46 by Molmil](/molmil-images/mine/4d46) | Crystal structure of E. coli FabI in complex with NAD and 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile | Descriptor: | 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Tareilus, M, Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | Deposit date: | 2014-10-26 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
|
|
4D42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d42 by Molmil](/molmil-images/mine/4d42) | Crystal structure of S. aureus FabI in complex with NADP and 4-fluoro- 5-hexyl-2-phenoxyphenol | Descriptor: | 4-fluoro-5-hexyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | Deposit date: | 2014-10-26 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | An ordered water channel in Staphylococcus aureus FabI: unraveling the mechanism of substrate recognition and reduction. Biochemistry, 54, 2015
|
|
4BNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bni by Molmil](/molmil-images/mine/4bni) | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- aminophenoxy)-5-hexylphenol | Descriptor: | 2-(2-azanylphenoxy)-5-hexyl-phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
|
|
4CUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cuz by Molmil](/molmil-images/mine/4cuz) | Crystal structure of S. aureus FabI in complex with NADPH and PT173 | Descriptor: | 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, ENOYL-ACP REDUCTASE MOLECULE ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | Deposit date: | 2014-03-22 | Release date: | 2014-04-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
|
|
4BKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bkg by Molmil](/molmil-images/mine/4bkg) | crystal structure of human diSUMO-2 | Descriptor: | SMALL UBIQUITIN-RELATED MODIFIER 2 | Authors: | Keusekotten, K, Bade, V.N, Meyer-Teschendorf, K, Sriramachandran, A, Fischer-Schrader, K, Krause, A, Horst, C, Hofmann, K, Dohmen, R.J, Praefcke, G.J.K. | Deposit date: | 2013-04-25 | Release date: | 2013-11-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Multivalent Interactions of the Sumo-Interaction Motifs in the Ring-Finger Protein 4 (Rnf4) Determine the Specificity for Chains of the Small Ubiquitin-Related Modifier (Sumo). Biochem.J., 457, 2014
|
|
4ALK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4alk by Molmil](/molmil-images/mine/4alk) | Crystal structure of S. aureus FabI in complex with NADP and 5-ethyl- 2-phenoxyphenol | Descriptor: | 5-ETHYL-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | Deposit date: | 2012-03-04 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
|
|
4ALL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4all by Molmil](/molmil-images/mine/4all) | Crystal structure of S. aureus FabI in complex with NADP and triclosan (P212121) | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRICLOSAN | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | Deposit date: | 2012-03-04 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
|
|
4ALJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4alj by Molmil](/molmil-images/mine/4alj) | Crystal structure of S. aureus FabI in complex with NADP and 5-chloro- 2-phenoxyphenol | Descriptor: | 5-CHLORO-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | Deposit date: | 2012-03-04 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
|
|
2O8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o8c by Molmil](/molmil-images/mine/2o8c) | human MutSalpha (MSH2/MSH6) bound to ADP and an O6-methyl-guanine T mispair | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*(6OG)P*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
|
|
5J9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j9g by Molmil](/molmil-images/mine/5j9g) | |
2B3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b3f by Molmil](/molmil-images/mine/2b3f) | Thermus thermophilus Glucose/Galactose Binding Protein Bound With Galactose | Descriptor: | beta-D-galactopyranose, glucose-binding protein | Authors: | Cuneo, M.J, Changela, A, Warren, J.J, Beese, L.S, Hellinga, H.W. | Deposit date: | 2005-09-20 | Release date: | 2006-07-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The crystal structure of a thermophilic glucose binding protein reveals adaptations that interconvert mono and di-saccharide binding sites. J.Mol.Biol., 362, 2006
|
|
2BA9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ba9 by Molmil](/molmil-images/mine/2ba9) | |
4ALI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ali by Molmil](/molmil-images/mine/4ali) | Crystal structure of S. aureus FabI in complex with NADP and triclosan (P1) | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Kisker, C. | Deposit date: | 2012-03-04 | Release date: | 2012-05-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
|
|
2BAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bac by Molmil](/molmil-images/mine/2bac) | Crystal structure of CLA-producing fatty acid isomerase from P. acnes | Descriptor: | (11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Rudolph, M.G, Liavonchanka, A. | Deposit date: | 2005-10-14 | Release date: | 2006-01-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of the Propionibacterium acnes polyunsaturated fatty acid isomerase Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2B3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b3b by Molmil](/molmil-images/mine/2b3b) | Thermus thermophilus Glucose/Galactose Binding Protein With Bound Glucose | Descriptor: | alpha-D-glucopyranose, beta-D-glucopyranose, glucose-binding protein | Authors: | Cuneo, M.J, Changela, A, Warren, J.J, Beese, L.S, Hellinga, H.W. | Deposit date: | 2005-09-20 | Release date: | 2006-07-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of a thermophilic glucose binding protein reveals adaptations that interconvert mono and di-saccharide binding sites. J.Mol.Biol., 362, 2006
|
|
2GH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gh9 by Molmil](/molmil-images/mine/2gh9) | Thermus thermophilus maltotriose binding protein bound with maltotriose | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose/maltodextrin-binding protein | Authors: | Cuneo, M.J, Changela, A, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-03-27 | Release date: | 2007-02-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural adaptations that modulate monosaccharide, disaccharide, and trisaccharide specificities in periplasmic maltose-binding proteins. J.Mol.Biol., 389, 2009
|
|
2FF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ff0 by Molmil](/molmil-images/mine/2ff0) | Solution Structure of Steroidogenic Factor 1 DNA Binding Domain Bound to its Target Sequence in the Inhibin alpha-subunit Promoter | Descriptor: | CTGTGGCCCTGAGCC, GGCTCAGGGCCACAG, Steroidogenic factor 1, ... | Authors: | Little, T.H, Zhang, Y, Matulis, C.K, Weck, J, Zhang, Z, Ramachandran, A, Mayo, K.E, Radhakrishnan, I. | Deposit date: | 2005-12-17 | Release date: | 2006-04-11 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Sequence-specific deoxyribonucleic Acid (DNA) recognition by steroidogenic factor 1: a helix at the carboxy terminus of the DNA binding domain is necessary for complex stability. Mol.Endocrinol., 20, 2006
|
|
2O8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o8d by Molmil](/molmil-images/mine/2o8d) | human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*(DU)P*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
|
|
2B9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b9w by Molmil](/molmil-images/mine/2b9w) | |
2BAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bab by Molmil](/molmil-images/mine/2bab) | Crystal structure of CLA-producing fatty acid isomerase from P. acnes | Descriptor: | (10E,12Z)-OCTADECA-10,12-DIENOIC ACID, 1,4-BUTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rudolph, M.G, Liavonchanka, A. | Deposit date: | 2005-10-14 | Release date: | 2006-01-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and mechanism of the Propionibacterium acnes polyunsaturated fatty acid isomerase Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2FH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fh1 by Molmil](/molmil-images/mine/2fh1) | C-terminal half of gelsolin soaked in low calcium at pH 4.5 | Descriptor: | CALCIUM ION, Gelsolin | Authors: | Chumnarnsilpa, S, Loonchanta, A, Xue, B, Choe, H, Urosev, D, Wang, H, Burtnick, L.D, Robinson, R.C. | Deposit date: | 2005-12-23 | Release date: | 2006-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Calcium ion exchange in crystalline gelsolin J.Mol.Biol., 357, 2006
|
|
2FN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fn9 by Molmil](/molmil-images/mine/2fn9) | Thermotoga maritima Ribose Binding Protein Unliganded Form | Descriptor: | ribose ABC transporter, periplasmic ribose-binding protein | Authors: | Cuneo, M.J, Changela, A, Tian, Y, Beese, L.S, Hellinga, H.W. | Deposit date: | 2006-01-10 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Ligand-induced conformational changes in a thermophilic ribose-binding protein. Bmc Struct.Biol., 8, 2008
|
|