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PDB: 41 件

6M6Y
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Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP
分子名称: 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ...
著者Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
登録日2020-03-16
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
6M69
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Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPCP (GDP)
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Hydrolase, ...
著者Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
登録日2020-03-13
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
6M72
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Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP
分子名称: 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein, ...
著者Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
登録日2020-03-16
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
6M65
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Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPNP (GDP)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
登録日2020-03-13
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
8I67
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Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I
分子名称: 1,2-ETHANEDIOL, 1,3-thiazolidine-2,4-dione, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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
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Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I
分子名称: 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ...
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献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
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Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I
分子名称: 1,2-ETHANEDIOL, 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CITRIC ACID, ...
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
8I6B
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Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I
分子名称: 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ...
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
8I63
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Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form III
分子名称: 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
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BU of 8i62 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I
分子名称: 1,2-ETHANEDIOL, BARBITURIC ACID, CHLORIDE ION, ...
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献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
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Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I
分子名称: 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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
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BU of 8i66 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I
分子名称: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, CITRIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
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BU of 8i6a by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III
分子名称: 1,2-ETHANEDIOL, OROTIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
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BU of 8i6c by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, Form III
分子名称: 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献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
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BU of 8i6d by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form VI
分子名称: 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, ...
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
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Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III
分子名称: 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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
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Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II
分子名称: 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献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
1NOV
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NODAMURA VIRUS
分子名称: NODAMURA VIRUS COAT PROTEINS
著者Natarajan, P, Johnson, J.E.
登録日1997-09-16
公開日1998-01-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Resolution of space-group ambiguity and structure determination of nodamura virus to 3.3 A resolution from pseudo-R32 (monoclinic) crystals.
Acta Crystallogr.,Sect.D, 53, 1997
1PVX
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DO-1,4-BETA-XYLANASE, ROOM TEMPERATURE, PH 4.5
分子名称: PROTEIN (ENDO-1,4-BETA-XYLANASE)
著者Rajeshkumar, P, Eswaramoorthy, S, Vithayathil, P.J, Viswamitra, M.A.
登録日1998-10-20
公開日1999-10-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The tertiary structure at 1.59 A resolution and the proposed amino acid sequence of a family-11 xylanase from the thermophilic fungus Paecilomyces varioti bainier.
J.Mol.Biol., 295, 2000
2N0K
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BU of 2n0k by Molmil
Chemical shift assignments and structure of the alpha-crystallin domain from human, HSPB5
分子名称: Alpha-crystallin B chain
著者Rajagopal, P, Klevit, R.E, Shi, L, Baker, D.
登録日2015-03-09
公開日2015-06-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A conserved histidine modulates HSPB5 structure to trigger chaperone activity in response to stress-related acidosis.
Elife, 4, 2015
6BP9
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HSPB5 alpha-crystallin domain mutant R120G-ACD
分子名称: Alpha-crystallin B chain
著者Rajagopal, P, Klevit, R.E.
登録日2017-11-22
公開日2018-11-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献HSPB5 alpha-crystallin domain mutant R120G-ACD
To Be Published
2N3J
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Solution Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1
分子名称: Heat shock protein beta-1
著者Rajagopal, P, Liu, Y, Shi, L, Klevit, R.E.
登録日2015-06-03
公開日2015-08-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure of the alpha-crystallin domain from the redox-sensitive chaperone, HSPB1.
J.Biomol.Nmr, 63, 2015
2LDL
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BU of 2ldl by Molmil
Solution NMR Structure of the HIV-1 Exon Splicing Silencer 3
分子名称: RNA (27-MER)
著者Mishler, C, Levengood, J.D, Johnson, C.A, Rajan, P, Znosko, B.M.
登録日2011-05-27
公開日2011-12-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structure of the HIV-1 Exon Splicing Silencer 3.
J.Mol.Biol., 415, 2012
1BSJ
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COBALT DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI
分子名称: (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, COBALT (II) ION, PHOSPHATE ION, ...
著者Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K.
登録日1998-08-28
公開日2000-04-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the design of antibiotics targeting peptide deformylase.
Biochemistry, 38, 1999
1BSK
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ZINC DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI
分子名称: (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, PHOSPHATE ION, PROTEIN (PEPTIDE DEFORMYLASE), ...
著者Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K.
登録日1998-08-28
公開日2000-04-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the design of antibiotics targeting peptide deformylase.
Biochemistry, 38, 1999

 

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