8QJZ
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![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
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8QKA
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![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
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8QK9
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![BU of 8qk9 by Molmil](/molmil-images/mine/8qk9) | Structure of E. coli LpxH in complex with JEDI-1444 | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]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 (1.9 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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3RIM
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![BU of 3rim by Molmil](/molmil-images/mine/3rim) | Crystal structure of mycobacterium tuberculosis Transketolase (Rv1449c) | Descriptor: | GLYCEROL, MAGNESIUM ION, THIAMINE DIPHOSPHATE, ... | Authors: | Pojer, F, Fullam, E, Jones, T.A, Cole, S.T. | Deposit date: | 2011-04-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure and function of the transketolase from Mycobacterium tuberculosis and comparison with the human enzyme. Open Biol, 2, 2012
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4A03
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![BU of 4a03 by Molmil](/molmil-images/mine/4a03) | Crystal Structure of Mycobacterium tuberculosis DXR in complex with the antibiotic FR900098 and cofactor NADPH | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, GLYCEROL, ... | Authors: | Bjorkelid, C, Bergfors, T, Jones, T.A. | Deposit date: | 2011-09-07 | Release date: | 2012-01-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Studies on Mycobacterium Tuberculosis Dxr in Complex with the Antibiotic Fr-900098. Acta Crystallogr.,Sect.D, 68, 2012
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4AIC
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![BU of 4aic by Molmil](/molmil-images/mine/4aic) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin, manganese and NADPH | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2012-02-09 | Release date: | 2012-02-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose- 5-Phosphate Reductoisomerase Provide New Insights Into Catalysis. J.Biol.Chem., 282, 2007
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4BFX
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![BU of 4bfx by Molmil](/molmil-images/mine/4bfx) | Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1f) and phosphate | Descriptor: | 2,6-difluoro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide, PANTOTHENATE KINASE, PHOSPHATE ION | Authors: | Bjorkelid, C, Bergfors, T, Jones, T.A. | Deposit date: | 2013-03-22 | Release date: | 2013-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank J.Biol.Chem., 288, 2013
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1CBS
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1CBQ
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![BU of 1cbq by Molmil](/molmil-images/mine/1cbq) | CRYSTAL STRUCTURE OF CELLULAR RETINOIC-ACID-BINDING PROTEINS I AND II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID AND A SYNTHETIC RETINOID | Descriptor: | 6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID, CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II, PHOSPHATE ION | Authors: | Kleywegt, G.J, Bergfors, T, Jones, T.A. | Deposit date: | 1994-09-28 | Release date: | 1995-01-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoid. Structure, 2, 1994
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1CBR
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7CEL
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![BU of 7cel by Molmil](/molmil-images/mine/7cel) | CBH1 (E217Q) IN COMPLEX WITH CELLOHEXAOSE AND CELLOBIOSE | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | Deposit date: | 1997-09-24 | Release date: | 1997-12-24 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution crystal structures reveal how a cellulose chain is bound in the 50 A long tunnel of cellobiohydrolase I from Trichoderma reesei. J.Mol.Biol., 275, 1998
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2CBS
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![BU of 2cbs by Molmil](/molmil-images/mine/2cbs) | CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-13 6307) | Descriptor: | 3-METHYL-7-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL) -OCTA-2,4,6-TRIENOIC ACID, PROTEIN (CRABP-II) | Authors: | Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A. | Deposit date: | 1999-02-22 | Release date: | 1999-12-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids. Acta Crystallogr.,Sect.D, 55, 1999
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2CBR
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![BU of 2cbr by Molmil](/molmil-images/mine/2cbr) | CELLULAR RETINOIC ACID BINDING PROTEIN I IN COMPLEX WITH A RETINOBENZOIC ACID (AM80) | Descriptor: | 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid, PROTEIN (CRABP-I) | Authors: | Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A. | Deposit date: | 1999-02-22 | Release date: | 1999-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids. Acta Crystallogr.,Sect.D, 55, 1999
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2CEL
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![BU of 2cel by Molmil](/molmil-images/mine/2cel) | ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | Deposit date: | 1996-08-24 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei. J.Mol.Biol., 264, 1996
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2Y1D
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![BU of 2y1d by Molmil](/molmil-images/mine/2y1d) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese. | Descriptor: | (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1F
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![BU of 2y1f by Molmil](/molmil-images/mine/2y1f) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue, manganese and NADPH. | Descriptor: | (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, ... | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1C
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![BU of 2y1c by Molmil](/molmil-images/mine/2y1c) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1E
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![BU of 2y1e by Molmil](/molmil-images/mine/2y1e) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, SULFATE ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1G
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![BU of 2y1g by Molmil](/molmil-images/mine/2y1g) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted FR900098 analogue and manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2A2G
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![BU of 2a2g by Molmil](/molmil-images/mine/2a2g) | THE CRYSTAL STRUCTURES OF A2U-GLOBULIN AND ITS COMPLEX WITH A HYALINE DROPLET INDUCER. | Descriptor: | D-LIMONENE 1,2-EPOXIDE, PROTEIN (ALPHA-2U-GLOBULIN) | Authors: | Chaudhuri, B.N, Kleywegt, G.J, Jones, T.A. | Deposit date: | 1998-11-19 | Release date: | 1999-08-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The structures of alpha 2u-globulin and its complex with a hyaline droplet inducer. Acta Crystallogr.,Sect.D, 55, 1999
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2A2U
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2CA2
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![BU of 2ca2 by Molmil](/molmil-images/mine/2ca2) | CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, THIOCYANATE ION, ... | Authors: | Eriksson, A.E, Kylsten, P.M, Jones, T.A, Liljas, A. | Deposit date: | 1989-02-06 | Release date: | 1990-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH. Proteins, 4, 1988
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1CB2
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![BU of 1cb2 by Molmil](/molmil-images/mine/1cb2) | CELLOBIOHYDROLASE II, CATALYTIC DOMAIN, MUTANT Y169F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE II, alpha-D-mannopyranose | Authors: | Kleywegt, G.J, Szardenings, M, Jones, T.A. | Deposit date: | 1995-11-25 | Release date: | 1996-10-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The active site of Trichoderma reesei cellobiohydrolase II: the role of tyrosine 169. Protein Eng., 9, 1996
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1CA2
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1CEL
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![BU of 1cel by Molmil](/molmil-images/mine/1cel) | |