5NZ0
 
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with linezolid | | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide | | Authors: | Blaszczyk, M, Mendes, V, Nikiforov, P.O, Blundell, T.L. | | Deposit date: | 2017-05-12 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.825 Å) | | Cite: | The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
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6D4V
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 22 (VCC061422) | | Descriptor: | 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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6D4R
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 18 (VCC399134) | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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6D4U
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664) | | Descriptor: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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6D4W
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637) | | Descriptor: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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5O0A
 | | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 5-methyl-1-phenyl-pyrazole-4-carboxylic acid (Fragment 1) | | Descriptor: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | | Authors: | Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L. | | Deposit date: | 2017-05-16 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
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5O0F
 | | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(indol-3-yl)propanoic acid (Fragment 5) | | Descriptor: | INDOLYLPROPIONIC ACID, Phosphopantetheine adenylyltransferase | | Authors: | Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L. | | Deposit date: | 2017-05-16 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
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5O0C
 | | Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(3-methyl-1H-indol-1-yl)propanoic acid (Fragment 3) | | Descriptor: | 3-(3-methylindol-1-yl)propanoic acid, Phosphopantetheine adenylyltransferase | | Authors: | Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L. | | Deposit date: | 2017-05-16 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.642 Å) | | Cite: | Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
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6D4T
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) | | Descriptor: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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6D4S
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597) | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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6D4Q
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455) | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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5OU1
 | | M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844) | | Descriptor: | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2017-08-23 | | Release date: | 2018-03-28 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
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5OU3
 | | M. thermoresistible IMPDH in complex with IMP and Compound 31 (AT080) | | Descriptor: | (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2017-08-23 | | Release date: | 2018-03-28 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
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5OU2
 | | M. thermoresistible IMPDH in complex with IMP and Compound 2 (NMR744) | | Descriptor: | 4-(4-bromophenyl)-1H-imidazole, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2017-08-23 | | Release date: | 2018-03-28 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
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5PEP
 | | X-RAY ANALYSES OF ASPARTIC PROTEASES. II. THREE-DIMENSIONAL STRUCTURE OF THE HEXAGONAL CRYSTAL FORM OF PORCINE PEPSIN AT 2.3 ANGSTROMS RESOLUTION | | Descriptor: | PEPSIN | | Authors: | Cooper, J.B, Khan, G, Taylor, G, Tickle, I.J, Blundell, T.L. | | Deposit date: | 1990-05-30 | | Release date: | 1990-07-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | X-ray analyses of aspartic proteinases. II. Three-dimensional structure of the hexagonal crystal form of porcine pepsin at 2.3 A resolution.
J.Mol.Biol., 214, 1990
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6ERD
 | | Crystal structure of a putative acetyltransferase from Bacillus cereus species. | | Descriptor: | Aminoglycoside N6'-acetyltransferase, CHLORIDE ION, GLYCEROL | | Authors: | Silvestre, H.L, Bolanos-Garcia, V.M, Asensio, J.L, Blundell, T.L, Bastida, A. | | Deposit date: | 2017-10-18 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterisation of RimL from Bacillus cereus, a new N alpha-acetyltransferase of ribosomal proteins that was wrongly assigned as an aminoglycosyltransferase.
Int.J.Biol.Macromol., 263, 2024
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6G6V
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3G04
 | | Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HUMAN THYROID STIMULATING AUTOANTIBODY M22 HEAVY CHAIN, HUMAN THYROID STIMULATING AUTOANTIBODY M22 LIGHT CHAIN, ... | | Authors: | Sanders, J, Chirgadze, D.Y, Sanders, P, Baker, S, Sullivan, A, Bhardwaja, A, Bolton, J, Reeve, M, Nakatake, N, Evans, M, Richards, T, Powell, M, Miguel, R.N, Blundell, T.L, Furmaniak, J, Smith, B.R. | | Deposit date: | 2009-01-27 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody
Thyroid, 17, 2007
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4APE
 | | THE ACTIVE SITE OF ASPARTIC PROTEINASES | | Descriptor: | ENDOTHIAPEPSIN | | Authors: | Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L. | | Deposit date: | 1986-06-09 | | Release date: | 1986-07-14 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
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4ER2
 | | The active site of aspartic proteinases | | Descriptor: | ENDOTHIAPEPSIN, PEPSTATIN, SULFATE ION | | Authors: | Bailey, D, Veerapandian, B, Cooper, J.B, Blundell, T.L. | | Deposit date: | 1990-10-20 | | Release date: | 1991-01-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The active site of aspartic proteinases
FEBS Lett., 174, 1984
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2Q1T
 | | Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NAD+ and UDP | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase, URIDINE-5'-DIPHOSPHATE | | Authors: | Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L. | | Deposit date: | 2007-05-25 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
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2PZL
 | | Crystal structure of the Bordetella bronchiseptica enzyme WbmG in complex with NAD and UDP | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase, URIDINE-5'-DIPHOSPHATE | | Authors: | King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L. | | Deposit date: | 2007-05-18 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
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2Q1W
 | | Crystal structure of the Bordetella bronchiseptica enzyme WbmH in complex with NAD+ | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase | | Authors: | King, J.D, Harmer, N.J, Maskell, D.J, Blundell, T.L. | | Deposit date: | 2007-05-25 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
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2Q1S
 | | Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase | | Authors: | Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L. | | Deposit date: | 2007-05-25 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
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2PZJ
 | | Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NAD+ | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase | | Authors: | Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L. | | Deposit date: | 2007-05-18 | | Release date: | 2007-10-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007
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