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PDB: 35 件

7S19
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Crystal structure of cruzain with gallinamide analog from 2-indolyl series
分子名称: Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[(1H-indol-3-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
著者Sharma, V, Podust, L.M.
登録日2021-09-01
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi .
J.Med.Chem., 65, 2022
7S18
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Crystal structure of cruzain with gallinamide analog from 2-biaryl series
分子名称: Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide
著者Sharma, V, Podust, L.M.
登録日2021-09-01
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi .
J.Med.Chem., 65, 2022
1F61
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CRYSTAL STRUCTURE OF ISOCITRATE LYASE FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: ISOCITRATE LYASE, MAGNESIUM ION
著者Sharma, V, Sharma, S, Hoener zu Bentrup, K.H, McKinney, J.D, Russell, D.G, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2000-06-19
公開日2000-08-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
1F8I
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CRYSTAL STRUCTURE OF ISOCITRATE LYASE:NITROPROPIONATE:GLYOXYLATE COMPLEX FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: GLYOXYLIC ACID, ISOCITRATE LYASE, MAGNESIUM ION, ...
著者Sharma, V, Sharma, S, Hoener zu Bentrup, K, McKinney, J.D, Russell, D.G, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2000-06-30
公開日2000-12-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
1F8M
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CRYSTAL STRUCTURE OF 3-BROMOPYRUVATE MODIFIED ISOCITRATE LYASE (ICL) FROM MYCOBACTERIUM TUBERCULOSIS
分子名称: ISOCITRATE LYASE, MAGNESIUM ION, PYRUVIC ACID
著者Sharma, V, Sharma, S, Hoener zu Bentrup, K, McKinney, J.D, Russell, D.G, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2000-06-30
公開日2000-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of isocitrate lyase, a persistence factor of Mycobacterium tuberculosis.
Nat.Struct.Biol., 7, 2000
7RKT
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Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
分子名称: (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKW
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Naegleria fowleri CYP51(NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate
分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7RKR
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Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sharma, V, Podust, L.M.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors.
J.Med.Chem., 2023
7WAL
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Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with Co
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, COBALT (II) ION, ...
著者Sharma, V, Manickam, Y, Babbar, P, Sharma, A.
登録日2021-12-14
公開日2022-12-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
7WAK
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Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamyl-tRNA synthetase, ...
著者Sharma, V, Manickam, Y, Babbar, P, Sharma, A.
登録日2021-12-14
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.782 Å)
主引用文献Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
7WAJ
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Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) complexed with ATP and Co
分子名称: ADENOSINE-5'-TRIPHOSPHATE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Sharma, V, Manickam, Y, Babbar, P, Sharma, A.
登録日2021-12-14
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
7WAO
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Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with Mn
分子名称: CHLORIDE ION, Glutamyl-tRNA synthetase, MANGANESE (II) ION
著者Sharma, V, Manickam, Y, Babbar, P, Sharma, A.
登録日2021-12-14
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.582 Å)
主引用文献Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
7WAI
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Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS)
分子名称: CHLORIDE ION, Glutamyl-tRNA synthetase
著者Sharma, V, Manickam, Y, Harlos, K, Sharma, A.
登録日2021-12-14
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum.
Mol.Biochem.Parasitol., 253, 2022
6Q2C
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Domain-swapped dimer of Acanthamoeba castellanii CYP51
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Obtusifoliol 14alphademethylase, ...
著者Sharma, V, Podust, L.M.
登録日2019-08-07
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
7LES
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Acanthamoeba castellanii CYP51 (AcCYP51)-Imidazole complex
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, IMIDAZOLE, ...
著者Sharma, V, Podust, L.M.
登録日2021-01-15
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Homodimerization Counteracts the Detrimental Effect of Nitrogenous Heme Ligands on the Enzymatic Activity of Acanthamoeba castellanii CYP51.
Biochemistry, 61, 2022
6UW2
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Clotrimazole bound complex of Acanthamoeba castellanii CYP51
分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, GUANIDINE, Obtusifoliol 14alphademethylase, ...
著者Sharma, V, Podust, L.M.
登録日2019-11-04
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
1QPQ
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Structure of Quinolinic Acid Phosphoribosyltransferase from Mycobacterium Tuberculosis: A Potential TB Drug Target
分子名称: QUINOLINATE PHOSPHORIBOSYLTRANSFERASE, QUINOLINIC ACID, SULFATE ION
著者Sharma, V, Grubmeyer, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日1998-11-20
公開日1998-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of quinolinic acid phosphoribosyltransferase from Mycobacterium tuberculosis: a potential TB drug target.
Structure, 6, 1998
1QPR
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QUINOLINATE PHOSPHORIBOSYLTRANSFERASE (QAPRTASE) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH PHTHALATE AND PRPCP
分子名称: 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose, MANGANESE (II) ION, PHTHALIC ACID, ...
著者Sharma, V, Grubmeyer, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日1998-10-17
公開日1998-10-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of quinolinic acid phosphoribosyltransferase from Mycobacterium tuberculosis: a potential TB drug target.
Structure, 6, 1998
6UX0
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Isavuconazole bound complex of Acanthamoeba castellanii CYP51
分子名称: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile, FE (III) ION, Obtusifoliol 14alphademethylase, ...
著者Sharma, V, Podust, L.M.
登録日2019-11-06
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
1NKT
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CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEX WITH ADPBS
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Preprotein translocase secA 1 subunit
著者Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2003-01-03
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003
1NL3
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CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS in APO FORM
分子名称: PREPROTEIN TRANSLOCASE SECA 1 SUBUNIT
著者Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2003-01-06
公開日2003-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003
1QPN
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Quinolinate Phosphoribosyl Transferase from Mycobacterium Tuberculosis in Complex with NCNN
分子名称: NICOTINATE MONONUCLEOTIDE, PROTEIN (QUINOLINATE PHOSPHORIBOSYL TRANSFERASE)
著者Sharma, V, Grubmeyer, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日1998-11-20
公開日1998-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of quinolinic acid phosphoribosyltransferase from Mycobacterium tuberculosis: a potential TB drug target.
Structure, 6, 1998
1QPO
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Quinolinate Phosphoribosyl Transferase (QAPRTase) Apo-Enzyme from Mycobacterium Tuberculosis
分子名称: QUINOLINATE ACID PHOSPHORIBOSYL TRANSFERASE, SULFATE ION
著者Sharma, V, Grubmeyer, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日1998-11-21
公開日1998-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of quinolinic acid phosphoribosyltransferase from Mycobacterium tuberculosis: a potential TB drug target.
Structure, 6, 1998
1YNY
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Molecular Structure of D-Hydantoinase from a Bacillus sp. AR9: Evidence for mercury inhibition
分子名称: D-Hydantoinase, MANGANESE (II) ION
著者Radha Kishan, K.V, Vohra, R.M, Ganeshan, K, Agrawal, V, Sharma, V.M, Sharma, R.
登録日2005-01-26
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular structure of D-hydantoinase from Bacillus sp. AR9: evidence for mercury inhibition.
J.Mol.Biol., 347, 2005
1JAC
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A NOVEL MODE OF CARBOHYDRATE RECOGNITION IN JACALIN, A MORACEAE PLANT LECTIN WITH A BETA-PRISM
分子名称: JACALIN, methyl alpha-D-galactopyranoside
著者Sankaranarayanan, R, Sekar, K, Banerjee, R, Sharma, V, Surolia, A, Vijayan, M.
登録日1996-05-22
公開日1997-06-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献A novel mode of carbohydrate recognition in jacalin, a Moraceae plant lectin with a beta-prism fold.
Nat.Struct.Biol., 3, 1996

 

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