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2MS6
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BU of 2ms6 by Molmil
Human Telomeric G-quadruplex DNA sequence (TTAGGGT)4 complexed with Flavonoid Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DNA_(5'-D(*TP*TP*AP*GP*GP*GP*T)-3')
著者Kumar, A, Tawani, A.
登録日2014-07-24
公開日2015-01-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Insight into the interaction of Flavonoids with Human Telomeric Sequence
Sci Rep, 5, 2015
2MS5
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BU of 2ms5 by Molmil
Structural dynamics of double-helical RNA having CAG motif
分子名称: RNA_(5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3')
著者Kumar, A, Tawani, A.
登録日2014-07-23
公開日2015-01-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Insights Reveal the Dynamics of the Repeating r(CAG) Transcript Found in Huntington's Disease (HD) and Spinocerebellar Ataxias (SCAs)
Plos One, 10, 2015
2NCQ
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BU of 2ncq by Molmil
Structural insights of r(CGG) motif found in Fragile X Syndrome and Fragile-X associated tremor/ataxia syndrome (FXTAS) at 45 degree C
分子名称: RNA_(5'-R(P*CP*CP*GP*CP*GP*GP*CP*GP*G)-3')
著者Kumar, A, Mishra, S.K.
登録日2016-04-12
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights reveal the dynamics of the repeating r(CGG) motif found in Fragile X Syndrome and Fragile-X associated tremor/ataxia syndrome (FXTAS)
To be Published
2NCR
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BU of 2ncr by Molmil
Structural insight for dynamics of r(CGG) motif RNA found in Fragile X syndrome/ Fragile X tremor ataxia at 25 degree C
分子名称: RNA_(5'-R(P*CP*CP*GP*CP*GP*GP*CP*GP*G)-3')
著者Kumar, A, Mishra, S.K.
登録日2016-04-12
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights reveal the dynamics of the repeating r(CGG) motif found in Fragile X Syndrome and Fragile-X associated tremor/ataxia syndrome (FXTAS)
To be Published
2NYQ
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BU of 2nyq by Molmil
Structure of Vibrio proteolyticus aminopeptidase with a bound Trp fragment of dLWCF
分子名称: Aminopeptidase, Tetrapeptide, ZINC ION
著者Bennett, B, Kumar, A, Narayanan, B, Kim, J.-J.
登録日2006-11-21
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate recognition by the leucine aminopeptidase from Vibrio proteolyticus
To be Published
5XI1
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BU of 5xi1 by Molmil
Structural Insight of Flavonoids binding to CAG repeat RNA that causes Huntington's Disease (HD) and Spinocerebellar Ataxia (SCAs)
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3')
著者Tawani, A, Mishra, S.K, Khan, E, Kumar, A.
登録日2017-04-25
公開日2018-08-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington's Disease (HD) and Spino Cerebellar Ataxia (SCAs).
ACS Chem. Biol., 13, 2018
4FNO
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BU of 4fno by Molmil
Crystal structure of peptidyl t-RNA hydrolase from Pseudomonas aeruginosa at 2.2 Angstrom resolution
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Peptidyl-tRNA hydrolase
著者Singh, A, Kumar, A, Arora, A, Singh, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-06-20
公開日2012-07-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and binding studies of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa provide a platform for the structure-based inhibitor design against peptidyl-tRNA hydrolase
Biochem.J., 463, 2014
6KOY
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BU of 6koy by Molmil
Crystal structure of two domain M1 Zinc metallopeptidase E323A mutant bound to L-tryptophan amino acid
分子名称: TRYPTOPHAN, ZINC ION, Zinc metalloprotease
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
6EOJ
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BU of 6eoj by Molmil
PolyA polymerase module of the cleavage and polyadenylation factor (CPF) from Saccharomyces cerevisiae
分子名称: Polyadenylation factor subunit 2,Polyadenylation factor subunit 2, Protein CFT1, ZINC ION, ...
著者Casanal, A, Kumar, A, Hill, C.H, Emsley, P, Passmore, L.A.
登録日2017-10-09
公開日2017-11-15
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Architecture of eukaryotic mRNA 3'-end processing machinery.
Science, 358, 2017
8WT1
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BU of 8wt1 by Molmil
Crystal structure of S9 carboxypeptidase from Geobacillus sterothermophilus
分子名称: ALANINE, CITRATE ANION, GLYCEROL, ...
著者Chandravanshi, K, Kumar, A, Sen, C, Singh, R, Bhange, G.B, Makde, R.D.
登録日2023-10-17
公開日2024-03-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and solution scattering of Geobacillus stearothermophilus S9 peptidase reveal structural adaptations for carboxypeptidase activity.
Febs Lett., 598, 2024
2G15
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BU of 2g15 by Molmil
Structural Characterization of autoinhibited c-Met kinase
分子名称: activated met oncogene
著者Wang, W, Marimuthu, A, Tsai, J, Kumar, A, Krupka, H.I, Zhang, C, Powell, B, Suzuki, Y, Nguyen, H, Tabrizizad, M, Luu, C, West, B.L.
登録日2006-02-13
公開日2006-03-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural characterization of autoinhibited c-Met kinase produced by coexpression in bacteria with phosphatase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8ZN1
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BU of 8zn1 by Molmil
Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P.
登録日2024-05-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution
To Be Published
8ZN4
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BU of 8zn4 by Molmil
Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ...
著者Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P.
登録日2024-05-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution
To Be Published
6KRA
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BU of 6kra by Molmil
Solution NMR Structure of RMAD4 alpha Defensin
分子名称: Neutrophil defensin 4
著者Agadi, N, Kumar, A, Shukla, V.K.
登録日2019-08-21
公開日2020-08-26
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of RMAD4 alpha Defensin.
To Be Published
8I7E
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BU of 8i7e by Molmil
Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A
分子名称: Glyceraldehyde-3-phosphate dehydrogenase
著者Kumar, N, Dilawari, R, Chaubey, G.K, Modanwal, R, Talukdar, S, Dhiman, A, Chaudhary, S, Patidar, A, Kumar, A, Raje, C.I, Raje, M, Kumaran, S.
登録日2023-01-31
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A
To Be Published
5Z47
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BU of 5z47 by Molmil
Crystal structure of pyrrolidone carboxylate peptidase I with disordered loop A from Deinococcus radiodurans R1
分子名称: DIMETHYL SULFOXIDE, Pyrrolidone-carboxylate peptidase
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of pyrrolidone-carboxylate peptidase I from Deinococcus radiodurans reveal the mechanism of L-pyroglutamate recognition.
Acta Crystallogr D Struct Biol, 75, 2019
5Z48
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BU of 5z48 by Molmil
Crystal structure of pyrrolidone carboxylate peptidase I from Deinococcus radiodurans R1 bound to pyroglutamate
分子名称: DIMETHYL SULFOXIDE, PYROGLUTAMIC ACID, Pyrrolidone-carboxylate peptidase, ...
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Crystal structures of pyrrolidone-carboxylate peptidase I from Deinococcus radiodurans reveal the mechanism of L-pyroglutamate recognition.
Acta Crystallogr D Struct Biol, 75, 2019
7F8S
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BU of 7f8s by Molmil
Pennisetum glaucum (Pearl millet) dehydroascorbate reductase (DHAR) with catalytic cysteine (Cy20) in sulphenic and sulfinic acid forms.
分子名称: Dehydroascorbate reductase, SULFATE ION
著者Das, B.K, Kumar, A, Sreeshma, N.S, Arockiasamy, A.
登録日2021-07-02
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Comparative kinetic analysis of ascorbate (Vitamin-C) recycling dehydroascorbate reductases from plants and humans.
Biochem.Biophys.Res.Commun., 591, 2021
7XQ6
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BU of 7xq6 by Molmil
The complex structure of mutant Mpro with inhibitor
分子名称: 3C-like proteinase nsp5, CHLORIDE ION
著者Sahoo, P, Lenka, D.R, Kumar, A.
登録日2022-05-06
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
7XQ7
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BU of 7xq7 by Molmil
The complex structure of WT-Mpro
分子名称: 3C-like proteinase nsp5, SODIUM ION
著者Sahoo, P, Lenka, D.R, Kumar, A.
登録日2022-05-06
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
7W9G
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BU of 7w9g by Molmil
Complex structure of Mpro with ebselen-derivative inhibitor
分子名称: 3C-like proteinase nsp5, SELENIUM ATOM
著者Sahoo, P, Kumar, A.
登録日2021-12-09
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
7W9A
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BU of 7w9a by Molmil
Dynamics of lipid displacement inside the hydrophobic cavity of a non-specific lipid transfer protein from Solanum melongena
分子名称: LAURIC ACID, Non-specific lipid-transfer protein
著者Madni, Z.K, Kumar, A, Salunke, D.M.
登録日2021-12-09
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Dynamics of lipid displacement inside the hydrophobic cavity of a nonspecific lipid transfer protein from Solanum melongena .
J.Biomol.Struct.Dyn., 41, 2023
6JBP
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BU of 6jbp by Molmil
Structure of MP-4 from Mucuna pruriens at 2.22 Angstroms
分子名称: Kunitz-type trypsin inhibitor-like 2 protein
著者Jain, A, Shikhi, M, Kumar, A, Kumar, A, Nair, D.T, Salunke, D.M.
登録日2019-01-26
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献The structure of MP-4 from Mucuna pruriens at 2.22 angstrom resolution.
Acta Crystallogr.,Sect.F, 76, 2020
7XBJ
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Txp40, an insecticidal toxin protein from Xenorhabdus nematophila
分子名称: 40kDa insecticidal toxin
著者Kinkar, O, Kumar, A, Prashar, A, Hire, R.S, Makde, R.D.
登録日2022-03-21
公開日2023-03-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The crystal structure of insecticidal protein Txp40 from Xenorhabdus nematophila reveals a two-domain unique binary toxin with homology to the toxin-antitoxin (TA) system.
Insect Biochem.Mol.Biol., 164, 2023
7DF6
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Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor
分子名称: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, Galectin-3
著者Ghosh, K, Kumar, A.
登録日2020-11-06
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021

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