8I6B
 
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I | | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ... | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I61
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I | | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ... | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I66
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I | | Descriptor: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, CITRIC ACID, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I65
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I68
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III | | Descriptor: | 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I6A
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III | | Descriptor: | 1,2-ETHANEDIOL, OROTIC ACID, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I64
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II | | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I62
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I | | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CHLORIDE ION, ... | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I69
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I | | Descriptor: | 1,2-ETHANEDIOL, 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CITRIC ACID, ... | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I6D
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form VI | | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8I6C
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, Form III | | Descriptor: | 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
|
|
8IIS
 | | MsmUdgX H109S/R184A double mutant | | Descriptor: | IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase | | Authors: | Aroli, S. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
|
|
8IIO
 | | H109Q mutant of uracil DNA glycosylase X | | Descriptor: | GLYCEROL, IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase | | Authors: | Aroli, S. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
|
|
8IIN
 | |
8IIM
 | | H109K mutant of uracil DNA glycosylase X | | Descriptor: | BETA-MERCAPTOETHANOL, IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase | | Authors: | Aroli, S. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
|
|
8IIP
 | |
8IIF
 | | H109A mutant of uracil DNA glycosylase X | | Descriptor: | GLYCEROL, IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase | | Authors: | Aroli, S. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
|
|
8IIT
 | |
8IIL
 | |
8IIJ
 | | H109G mutant of uracil DNA glycosylase X | | Descriptor: | BETA-MERCAPTOETHANOL, IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase | | Authors: | Aroli, S. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
|
|
8IIE
 | |
8IIQ
 | | MsmUdgX H109S/E52N double mutant | | Descriptor: | IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase | | Authors: | Aroli, S. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
|
|
8IIG
 | |
8IIR
 | | MsmUdgX H109S/Q53A double mutant | | Descriptor: | BETA-MERCAPTOETHANOL, IRON/SULFUR CLUSTER, Type-4 uracil-DNA glycosylase | | Authors: | Aroli, S. | | Deposit date: | 2023-02-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Mutational and structural analyses of UdgX: insights into the active site pocket architecture and its evolution.
Nucleic Acids Res., 51, 2023
|
|
8III
 | |
