1KA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ka0 by Molmil](/molmil-images/mine/1ka0) | |
4MUK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4muk by Molmil](/molmil-images/mine/4muk) | |
3COY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3coy by Molmil](/molmil-images/mine/3coy) | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.05 Ang resolution- in complex with sulphonamide inhibitor 3 | Descriptor: | 5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosine, ETHANOL, GLYCEROL, ... | Authors: | Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C. | Deposit date: | 2008-03-29 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate. Chembiochem, 9, 2008
|
|
4MUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4muj by Molmil](/molmil-images/mine/4muj) | |
4MUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mul by Molmil](/molmil-images/mine/4mul) | |
3COZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3coz by Molmil](/molmil-images/mine/3coz) | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.0 Ang resolution- in complex with sulphonamide inhibitor 4 | Descriptor: | 5'-O-(D-valylsulfamoyl)adenosine, ETHANOL, GLYCEROL, ... | Authors: | Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C. | Deposit date: | 2008-03-29 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate. Chembiochem, 9, 2008
|
|
1EPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1epm by Molmil](/molmil-images/mine/1epm) | A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA | Descriptor: | ENDOTHIAPEPSIN, PS2, THR-PHE-GLN-ALA-PSA-LEU-ARG-GLU, ... | Authors: | Crawford, M, Cooper, J.B, Strop, P, Blundell, T.L. | Deposit date: | 1994-07-27 | Release date: | 1994-12-20 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica. Protein Sci., 3, 1994
|
|
3COV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cov by Molmil](/molmil-images/mine/3cov) | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.5 Ang resolution- apo form | Descriptor: | ETHANOL, GLYCEROL, Pantothenate synthetase, ... | Authors: | Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C. | Deposit date: | 2008-03-29 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate. Chembiochem, 9, 2008
|
|
4MUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4muh by Molmil](/molmil-images/mine/4muh) | Crystal structure of pantothenate synthetase in complex with 2-(2-(5-acetamido-1,3,4-thiadiazol-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ... | Authors: | Silvestre, H.L, Blundell, T.L. | Deposit date: | 2013-09-21 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis. Chemmedchem, 11, 2016
|
|
4MQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mq6 by Molmil](/molmil-images/mine/4mq6) | |
7R22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r22 by Molmil](/molmil-images/mine/7r22) | |
4MUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mue by Molmil](/molmil-images/mine/4mue) | |
4MUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4muf by Molmil](/molmil-images/mine/4muf) | |
1K9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k9y by Molmil](/molmil-images/mine/1k9y) | The PAPase Hal2p complexed with magnesium ions and reaction products: AMP and inorganic phosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ... | Authors: | Patel, S, Albert, A, Blundell, T.L. | Deposit date: | 2001-10-31 | Release date: | 2001-11-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases. J.Mol.Biol., 320, 2002
|
|
1KA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ka1 by Molmil](/molmil-images/mine/1ka1) | The PAPase Hal2p complexed with calcium and magnesium ions and reaction substrate: PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | Authors: | Patel, S, Albert, A, Blundell, T.L. | Deposit date: | 2001-10-31 | Release date: | 2001-11-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases. J.Mol.Biol., 320, 2002
|
|
4MUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mug by Molmil](/molmil-images/mine/4mug) | |
4G5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g5f by Molmil](/molmil-images/mine/4g5f) | Pantothenate synthetase in complex with racemate (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID and (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID | Descriptor: | (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 1,2-ETHANEDIOL, ... | Authors: | Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A. | Deposit date: | 2012-07-17 | Release date: | 2013-07-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4KM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4km2 by Molmil](/molmil-images/mine/4km2) | |
3N76
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3n76 by Molmil](/molmil-images/mine/3n76) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with compound 5 | Descriptor: | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-26 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
|
|
4EF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ef6 by Molmil](/molmil-images/mine/4ef6) | Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in complex with fragment 1 | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzodioxol-5-yl)propanoic acid, ETHANOL, ... | Authors: | Silvestre, H.L, Ciulli, A, Abell, C, Blundell, T. | Deposit date: | 2012-03-29 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4KM0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4km0 by Molmil](/molmil-images/mine/4km0) | Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with pyrimethamine | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase | Authors: | Dias, M.V.B, Tyrakis, P, Blundell, T.L. | Deposit date: | 2013-05-07 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs. Structure, 22, 2014
|
|
1K9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k9z by Molmil](/molmil-images/mine/1k9z) | |
4MUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mui by Molmil](/molmil-images/mine/4mui) | |
1EPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1epl by Molmil](/molmil-images/mine/1epl) | A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA | Descriptor: | ENDOTHIAPEPSIN, PS1, PRO-LEU-GLU-PSA-ARG-LEU | Authors: | Al-Karadaghi, S, Cooper, J.B, Strop, P, Blundell, T.L. | Deposit date: | 1994-07-27 | Release date: | 1994-12-20 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica. Protein Sci., 3, 1994
|
|
4KL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kl9 by Molmil](/molmil-images/mine/4kl9) | Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in the space group C2 | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Dias, M.V.B, Tyrakis, P, Blundell, T.L. | Deposit date: | 2013-05-07 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs. Structure, 22, 2014
|
|