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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
1BPD
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BU of 1bpd by Molmil
CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA: EVIDENCE FOR A COMMON POLYMERASE MECHANISM
分子名称: DNA POLYMERASE BETA, PHOSPHATE ION
著者Sawaya, M.R, Pelletier, H, Kumar, A, Wilson, S.H, Kraut, J.
登録日1994-04-12
公開日1994-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structure of rat DNA polymerase beta: evidence for a common polymerase mechanism.
Science, 264, 1994
1BPB
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BU of 1bpb by Molmil
CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA: EVIDENCE FOR A COMMON POLYMERASE MECHANISM
分子名称: DNA POLYMERASE BETA
著者Sawaya, M.R, Pelletier, H, Kumar, A, Wilson, S.H, Kraut, J.
登録日1994-04-12
公開日1994-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of rat DNA polymerase beta: evidence for a common polymerase mechanism.
Science, 264, 1994
6IFG
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BU of 6ifg by Molmil
Crystal structure of M1 zinc metallopeptidase E323A mutant bound to Tyr-ser-ala substrate from Deinococcus radiodurans
分子名称: FORMIC ACID, Tripeptides (TYR-SER-ALA), ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2018-09-20
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain.
J.Struct.Biol., 208, 2019
6IFF
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BU of 6iff by Molmil
Crystal structure of M1 zinc metallopeptidase E323A mutant from Deinococcus radiodurans
分子名称: SODIUM ION, TYROSINE, ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Gaur, N.K, Makde, R.D.
登録日2018-09-20
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 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
7Q4V
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BU of 7q4v by Molmil
Electron bifurcating hydrogenase - HydABC from A. woodii
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Katsyv, A, Kumar, A, Saura, P, Poeverlein, M.C, Freibert, S.A, Stripp, S, Jain, S, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M.
登録日2021-11-02
公開日2023-02-22
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
4YN6
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BU of 4yn6 by Molmil
Structural Insight reveals dynamics in repeating r(CAG) transcript found in Huntington's disease (HD) and Spinocerebellar ataxias (SCAs)
分子名称: PHOSPHATE ION, RNA (5'-R(P*UP*UP*GP*GP*GP*CP*CP*AP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*C)-3')
著者Tawani, A, Kumar, A.
登録日2015-03-09
公開日2015-04-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.301 Å)
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
6IDN
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BU of 6idn by Molmil
Crystal structure of ICChI chitinase from ipomoea carnea
分子名称: CALCIUM ION, ICChI, a glycosylated chitinase, ...
著者Kumar, S, Kumar, A, Patel, A.K.
登録日2018-09-10
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献TIM barrel fold and glycan moieties in the structure of ICChI, a protein with chitinase and lysozyme activity.
Phytochemistry, 170, 2020
7DF6
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BU of 7df6 by Molmil
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
7DF5
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BU of 7df5 by Molmil
Human 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, CHLORIDE ION, 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 (1.08 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
7B7F
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BU of 7b7f by Molmil
Room temperature X-ray structure of H/D-exchanged PLL lectin in complex with L-fucose
分子名称: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-10
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
7B7E
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BU of 7b7e by Molmil
Room temperature X-ray structure of perdeuterated PLL lectin
分子名称: PLL lectin
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-10
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
7B7C
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BU of 7b7c by Molmil
Room temperature X-ray structure of perdeuterated PLL lectin in complex with L-fucose
分子名称: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-10
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
7BB4
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BU of 7bb4 by Molmil
Crystal structure of perdeuterated PLL lectin in complex with L-fucose
分子名称: GLYCEROL, PLL lectin, alpha-L-fucopyranose, ...
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-16
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
7BBI
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BU of 7bbi by Molmil
Joint X-ray/neutron room temperature structure of H/D-exchanged PLL lectin
分子名称: PLL lectin
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-17
公開日2021-03-17
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
7BBC
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BU of 7bbc by Molmil
Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose
分子名称: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-17
公開日2021-03-24
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
5HWK
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BU of 5hwk by Molmil
Crystal structure of gama glutamyl cyclotransferease specific to glutathione from yeast
分子名称: BENZOIC ACID, Glutathione-specific gamma-glutamylcyclotransferase, PHOSPHATE ION
著者Kaur, A, Gautam, R, Srivastava, R, Chandel, A, Kumar, A, Karthikeyan, S, Bachhawat, A.K.
登録日2016-01-29
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.344 Å)
主引用文献ChaC2, an Enzyme for Slow Turnover of Cytosolic Glutathione
J. Biol. Chem., 292, 2017
5HWI
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BU of 5hwi by Molmil
Crystal structure of selenomethionine labelled gama glutamyl cyclotransferease specific to glutathione from yeast
分子名称: GLYCEROL, Glutathione-specific gamma-glutamylcyclotransferase, SUCCINIC ACID
著者Kaur, A, Gautam, R, Srivastava, R, Chandel, A, Kumar, A, Karthikeyan, S, Bachhawat, A.K.
登録日2016-01-29
公開日2016-12-14
最終更新日2017-01-25
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献ChaC2, an Enzyme for Slow Turnover of Cytosolic Glutathione
J. Biol. Chem., 292, 2017
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
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
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
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
3P20
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BU of 3p20 by Molmil
Crystal structure of vanadate bound subunit A of the A1AO ATP synthase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
著者Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G.
登録日2010-10-01
公開日2011-03-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011
1RL4
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BU of 1rl4 by Molmil
Plasmodium falciparum peptide deformylase complex with inhibitor
分子名称: (2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID, 2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE, COBALT (II) ION, ...
著者Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G.J.
登録日2003-11-24
公開日2003-12-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献An improved crystal form of Plasmodium falciparum peptide deformylase.
Protein Sci., 13, 2004

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