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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
Descriptor: LAURIC ACID, Non-specific lipid-transfer protein
Authors:Madni, Z.K, Kumar, A, Salunke, D.M.
Deposit date:2021-12-09
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Dynamics of lipid displacement inside the hydrophobic cavity of a nonspecific lipid transfer protein from Solanum melongena .
J.Biomol.Struct.Dyn., 41, 2023
7B7C
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BU of 7b7c by Molmil
Room temperature X-ray structure of perdeuterated PLL lectin in complex with L-fucose
Descriptor: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose
Authors:Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
Deposit date:2020-12-10
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 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
Descriptor: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose
Authors:Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
Deposit date:2020-12-10
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: PLL lectin
Authors:Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
Deposit date:2020-12-10
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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.
Descriptor: Dehydroascorbate reductase, SULFATE ION
Authors:Das, B.K, Kumar, A, Sreeshma, N.S, Arockiasamy, A.
Deposit date:2021-07-02
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Comparative kinetic analysis of ascorbate (Vitamin-C) recycling dehydroascorbate reductases from plants and humans.
Biochem.Biophys.Res.Commun., 591, 2021
7BB4
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BU of 7bb4 by Molmil
Crystal structure of perdeuterated PLL lectin in complex with L-fucose
Descriptor: GLYCEROL, PLL lectin, alpha-L-fucopyranose, ...
Authors:Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
Deposit date:2020-12-16
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: PLL lectin
Authors:Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
Deposit date:2020-12-17
Release date:2021-03-17
Last modified:2021-09-15
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite: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
Descriptor: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose
Authors:Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
Deposit date:2020-12-17
Release date:2021-03-24
Last modified:2021-09-15
Method:NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION
Cite:Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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
Descriptor: DIMETHYL SULFOXIDE, Pyrrolidone-carboxylate peptidase
Authors:Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
Deposit date:2018-01-10
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: DIMETHYL SULFOXIDE, PYROGLUTAMIC ACID, Pyrrolidone-carboxylate peptidase, ...
Authors:Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
Deposit date:2018-01-10
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structures of pyrrolidone-carboxylate peptidase I from Deinococcus radiodurans reveal the mechanism of L-pyroglutamate recognition.
Acta Crystallogr D Struct Biol, 75, 2019
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
Descriptor: FORMIC ACID, Tripeptides (TYR-SER-ALA), ZINC ION, ...
Authors:Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
Deposit date:2018-09-20
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: SODIUM ION, TYROSINE, ZINC ION, ...
Authors:Agrawal, R, Kumar, A, Kumar, A, Gaur, N.K, Makde, R.D.
Deposit date:2018-09-20
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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)
Descriptor: 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')
Authors:Tawani, A, Kumar, A.
Deposit date:2015-03-09
Release date:2015-04-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite: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
7XBJ
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BU of 7xbj by Molmil
Txp40, an insecticidal toxin protein from Xenorhabdus nematophila
Descriptor: 40kDa insecticidal toxin
Authors:Kinkar, O, Kumar, A, Prashar, A, Hire, R.S, Makde, R.D.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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
6KP1
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BU of 6kp1 by Molmil
Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine amino acid
Descriptor: METHIONINE, SODIUM ION, ZINC ION, ...
Authors:Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
Deposit date:2019-08-13
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
6KP0
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BU of 6kp0 by Molmil
Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine
Descriptor: ARGININE, SODIUM ION, ZINC ION, ...
Authors:Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
Deposit date:2019-08-13
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
6KOZ
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BU of 6koz by Molmil
Crystal structure of two domain M1 zinc metallopeptidase E323 mutant bound to L-Leucine amino acid
Descriptor: LEUCINE, SODIUM ION, ZINC ION, ...
Authors:Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
Deposit date:2019-08-13
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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
Descriptor: TRYPTOPHAN, ZINC ION, Zinc metalloprotease
Authors:Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
Deposit date:2019-08-13
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
1RL4
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BU of 1rl4 by Molmil
Plasmodium falciparum peptide deformylase complex with inhibitor
Descriptor: (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, ...
Authors:Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G.J.
Deposit date:2003-11-24
Release date:2003-12-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:An improved crystal form of Plasmodium falciparum peptide deformylase.
Protein Sci., 13, 2004
8BG0
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BU of 8bg0 by Molmil
Amyloid-beta tetrameric filaments with the Arctic mutation (E22G) from Alzheimer's disease brains | ABeta40
Descriptor: Amyloid-beta precursor protein
Authors:Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W.
Deposit date:2022-10-27
Release date:2023-01-18
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
8BG9
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BU of 8bg9 by Molmil
Murine amyloid-beta filaments with the Arctic mutation (E22G) from APP(NL-G-F) mouse brains | ABeta
Descriptor: Amyloid-beta protein 40
Authors:Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W.
Deposit date:2022-10-27
Release date:2023-01-18
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
1RQC
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BU of 1rqc by Molmil
Crystals of peptide deformylase from Plasmodium falciparum with ten subunits per asymmetric unit reveal critical characteristics of the active site for drug design
Descriptor: COBALT (II) ION, formylmethionine deformylase
Authors:Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G.
Deposit date:2003-12-04
Release date:2004-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An improved crystal form of Plasmodium falciparum peptide deformylase
Protein Sci., 13, 2004
8BFZ
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BU of 8bfz by Molmil
Amyloid-beta 42 filaments extracted from the human brain with Arctic mutation (E22G) of Alzheimer's disease | ABeta42
Descriptor: Amyloid-beta precursor protein
Authors:Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordberg, A, Goedert, M, Scheres, S.H.W.
Deposit date:2022-10-27
Release date:2023-01-18
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
6EOJ
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BU of 6eoj by Molmil
PolyA polymerase module of the cleavage and polyadenylation factor (CPF) from Saccharomyces cerevisiae
Descriptor: Polyadenylation factor subunit 2,Polyadenylation factor subunit 2, Protein CFT1, ZINC ION, ...
Authors:Casanal, A, Kumar, A, Hill, C.H, Emsley, P, Passmore, L.
Deposit date:2017-10-09
Release date:2017-11-15
Last modified:2018-01-31
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Architecture of eukaryotic mRNA 3'-end processing machinery.
Science, 358, 2017
3P20
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BU of 3p20 by Molmil
Crystal structure of vanadate bound subunit A of the A1AO ATP synthase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
Authors:Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G.
Deposit date:2010-10-01
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011

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