8QJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qjz by Molmil](/molmil-images/mine/8qjz) | Crystal structure of E. coli LpxH in complex with lipid X | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8QKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qka by Molmil](/molmil-images/mine/8qka) | Structure of K. pneumoniae LpxH in complex with JEDI-852 | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
1Z3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z3w by Molmil](/molmil-images/mine/1z3w) | Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with cellobioimidazole | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, cellulase | Authors: | Ubhayasekera, W, Vasella, A, Stahlberg, J, Mowbray, S.L. | Deposit date: | 2005-03-14 | Release date: | 2005-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors Febs J., 272, 2005
|
|
1Z3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z3t by Molmil](/molmil-images/mine/1z3t) | |
1Z3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z3v by Molmil](/molmil-images/mine/1z3v) | Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, cellulase | Authors: | Ubhayasekera, W, Munoz, I.G, Stahlberg, J, Mowbray, S.L. | Deposit date: | 2005-03-14 | Release date: | 2005-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors Febs J., 272, 2005
|
|
3CXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cxu by Molmil](/molmil-images/mine/3cxu) | Structure of a Y149F mutant of epoxide hydrolase from Solanum tuberosum | Descriptor: | Epoxide hydrolase, TETRAETHYLENE GLYCOL | Authors: | Naworyta, A, Mowbray, S.L, Widersten, M, Thomaeus, A. | Deposit date: | 2008-04-25 | Release date: | 2008-07-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Removal of distal protein-water hydrogen bonds in a plant epoxide hydrolase increases catalytic turnover but decreases thermostability Protein Sci., 17, 2008
|
|
1GQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gqt by Molmil](/molmil-images/mine/1gqt) | |
4ACF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4acf by Molmil](/molmil-images/mine/4acf) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE IN COMPLEX WITH IMIDAZOPYRIDINE INHIBITOR ((4-(6-BROMO-3-(BUTYLAMINO)IMIDAZO(1,2-A)PYRIDIN-2-YL)PHENOXY) ACETIC ACID) AND L-METHIONINE-S-SULFOXIMINE PHOSPHATE. | Descriptor: | CHLORIDE ION, GLUTAMINE SYNTHETASE 1, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... | Authors: | Nilsson, M.T, Mowbray, S.L. | Deposit date: | 2011-12-15 | Release date: | 2012-10-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, Biological Evaluation and X-Ray Crystallographic Studies of Imidazo(1,2-A)Pyridine-Based Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors Medchemcomm, 3, 2012
|
|
3ZXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zxv by Molmil](/molmil-images/mine/3zxv) | |
3ZXR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zxr by Molmil](/molmil-images/mine/3zxr) | |
4Y6R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y6r by Molmil](/molmil-images/mine/4y6r) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC137, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CHLORIDE ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-13 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
|
|
4Y6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y6s by Molmil](/molmil-images/mine/4y6s) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-13 | Release date: | 2015-04-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
|
|
4Y67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y67 by Molmil](/molmil-images/mine/4y67) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-12 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
|
|
4Y6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y6p by Molmil](/molmil-images/mine/4y6p) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-13 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
|
|
3CAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cai by Molmil](/molmil-images/mine/3cai) | Crystal structure of Mycobacterium tuberculosis Rv3778c protein | Descriptor: | POSSIBLE AMINOTRANSFERASE | Authors: | Covarrubias, A.S, Larsson, A.M, Jones, T.A, Bergfors, T, Mowbray, S.L, Unge, T. | Deposit date: | 2008-02-20 | Release date: | 2008-03-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and biochemical function studies of Mycobacterium tuberculosis essential protein Rv3778c To be published
|
|
4Y9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y9s by Molmil](/molmil-images/mine/4y9s) | |
2Z39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z39 by Molmil](/molmil-images/mine/2z39) | |
2Z37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z37 by Molmil](/molmil-images/mine/2z37) | |
2Z38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z38 by Molmil](/molmil-images/mine/2z38) | |
3G02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g02 by Molmil](/molmil-images/mine/3g02) | |
3G0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g0i by Molmil](/molmil-images/mine/3g0i) | |
2BES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bes by Molmil](/molmil-images/mine/2bes) | Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronohydroxamic acid. | Descriptor: | 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, CARBOHYDRATE-PHOSPHATE ISOMERASE | Authors: | Roos, A.K, Ericsson, D.J, Mowbray, S.L. | Deposit date: | 2004-11-30 | Release date: | 2004-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism. J.Biol.Chem., 280, 2005
|
|
3K7P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k7p by Molmil](/molmil-images/mine/3k7p) | |
2BET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bet by Molmil](/molmil-images/mine/2bet) | Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronate. | Descriptor: | 4-PHOSPHO-D-ERYTHRONATE, CARBOHYDRATE-PHOSPHATE ISOMERASE | Authors: | Roos, A.K, Ericsson, D.J, Mowbray, S.L. | Deposit date: | 2004-11-30 | Release date: | 2004-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism J.Biol.Chem., 280, 2005
|
|
3K7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k7o by Molmil](/molmil-images/mine/3k7o) | |