8OUI
 
 | | Complex of ASCT2 with Suppressyn | | Descriptor: | ALANINE, Neutral amino acid transporter B(0), Suppressyn | | Authors: | Khare, S, Kumar, A, Reyes, N. | | Deposit date: | 2023-04-23 | | Release date: | 2024-05-01 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Receptor-recognition and antiviral mechanisms of retrovirus-derived human proteins.
Nat.Struct.Mol.Biol., 31, 2024
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6HUE
 | | ParkinS65N | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | | Authors: | McWilliams, T.G, Barini, E, Pohjolan-Pirhonen, R, Brooks, S.P, Singh, F, Burel, S, Balk, K, Kumar, A, Montava-Garriga, L, Prescott, A.R, Hassoun, S.M, Mouton-Liger, F, Ball, G, Hills, R, Knebel, A, Ulusoy, A, Di Monte, D.A, Tamjar, J, Antico, O, Fears, K, Smith, L, Brambilla, R, Palin, E, Valori, M, Eerola-Rautio, J, Tienari, P, Corti, O, Dunnett, S.B, Ganley, I.G, Suomalainen, A, Muqit, M.M.K. | | Deposit date: | 2018-10-07 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Phosphorylation of Parkin at serine 65 is essential for its activation in vivo .
Open Biology, 8, 2018
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4YN6
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7YH4
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5GIQ
 | | Xaa-Pro peptidase from Deinococcus radiodurans, Zinc bound | | Descriptor: | PHOSPHATE ION, Proline dipeptidase, ZINC ION | | Authors: | Are, V.N, Singh, R, Kumar, A, Ghosh, B, Jamdar, S.N, Makde, R.D. | | Deposit date: | 2016-06-24 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures and activities of widely conserved small prokaryotic aminopeptidases-P clarify classification of M24B peptidases.
Proteins, 2018
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5GIU
 | | Crystal structure of Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site | | Descriptor: | PHOSPHATE ION, Proline dipeptidase, SODIUM ION | | Authors: | Are, V.N, Kumar, A, Singh, R, Ghosh, B, Jamdar, S.N, Makde, R.D. | | Deposit date: | 2016-06-25 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site
To Be Published
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6I1D
 | | Structure of the Ysh1-Mpe1 nuclease complex from S.cerevisiae | | Descriptor: | Endoribonuclease YSH1, GLYCEROL, Protein MPE1, ... | | Authors: | Hill, C.H, Boreikaite, V, Kumar, A, Casanal, A, Kubik, P, Degliesposti, G, Maslen, S, Mariani, A, von Loeffelholz, O, Girbig, M, Skehel, M, Passmore, L.A. | | Deposit date: | 2018-10-28 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Activation of the Endonuclease that Defines mRNA 3' Ends Requires Incorporation into an 8-Subunit Core Cleavage and Polyadenylation Factor Complex.
Mol.Cell, 73, 2019
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5GIV
 | | Crystal structure of M32 carboxypeptidase from Deinococcus radiodurans R1 | | Descriptor: | ACETATE ION, Carboxypeptidase 1, ZINC ION | | Authors: | Sharma, B, Singh, R, Yadav, P, Ghosh, B, Kumar, A, Jamdar, S.N, Makde, R.D. | | Deposit date: | 2016-06-25 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Active site gate of M32 carboxypeptidases illuminated by crystal structure and molecular dynamics simulations
Biochim. Biophys. Acta, 1865, 2017
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5GJL
 | | Solution structure of SUMO from Plasmodium falciparum | | Descriptor: | Uncharacterized protein | | Authors: | Singh, J.S, Shukla, V.K, Gujrati, M, Mishra, R.K, Kumar, A. | | Deposit date: | 2016-06-30 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure, dynamics and interaction study of SUMO from Plasmodium falciparum
To Be Published
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5I4F
 | | scFv 2D10 complexed with alpha 1,6 mannobiose | | Descriptor: | alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose, scFv 2D10 | | Authors: | Vashisht, S, Kumar, A, Kaur, K.J, Salunke, D.M. | | Deposit date: | 2016-02-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | Antibodies Can Exploit Molecular Crowding to Bind New Antigens at Noncanonical Paratope Positions
CHEMISTRYSELECT, 1, 2016
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7VMH
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7VMI
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3EIU
 | | A second transient position of ATP on its trail to the nucleotide-binding site of subunit B of the motor protein A1Ao ATP synthase | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ADENOSINE-5'-TRIPHOSPHATE, V-type ATP synthase beta chain | | Authors: | Manimekalai, S.M.S, Kumar, A, Balakrishna, A.M, Gruber, G. | | Deposit date: | 2008-09-17 | | Release date: | 2009-02-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | A second transient position of ATP on its trail to the nucleotide-binding site of subunit B of the motor protein A(1)A(O) ATP synthase
J.Struct.Biol., 166, 2009
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7D5L
 | | Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection | | Descriptor: | NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate | | Authors: | Ghosh, K, Anumula, R, Kumar, A. | | Deposit date: | 2020-09-26 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 63, 2020
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4JC4
 | | Crystal structure of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa at 2.25 angstrom resolution | | Descriptor: | GLYCEROL, Peptidyl-tRNA hydrolase | | Authors: | Singh, A, Kumar, A, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Arora, A, Singh, T.P. | | Deposit date: | 2013-02-21 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 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
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7FCN
 | | Crystal strcture of PirA insecticidal protein from Photorhabdus akhurstii | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Prashar, A, Kumar, A, Kinkar, O, Hire, R.S, Makde, R.D. | | Deposit date: | 2021-07-15 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of PirA and PirB toxins from Photorhabdus akhurstii subsp. akhurstii K-1
Insect Biochem.Mol.Biol., 162, 2023
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7FDP
 | | Crystal structure of PirB insecticidal protein from Photorhabdus akhurstii | | Descriptor: | Insecticidal protein | | Authors: | Prashar, A, Kinkar, O, Kumar, A, Hire, R.S, Makde, R.D. | | Deposit date: | 2021-07-17 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of PirA and PirB toxins from Photorhabdus akhurstii subsp. akhurstii K-1
Insect Biochem.Mol.Biol., 162, 2023
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5XI1
 | | Structural Insight of Flavonoids binding to CAG repeat RNA that causes Huntington's Disease (HD) and Spinocerebellar Ataxia (SCAs) | | Descriptor: | 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') | | Authors: | Tawani, A, Mishra, S.K, Khan, E, Kumar, A. | | Deposit date: | 2017-04-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington's Disease (HD) and Spino Cerebellar Ataxia (SCAs).
ACS Chem. Biol., 13, 2018
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8QOT
 | | Structure of the mu opioid receptor bound to the antagonist nanobody NbE | | Descriptor: | Anti-Fab Nanobody, Mu-type opioid receptor, NabFab HC, ... | | Authors: | Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Manglik, A, Ballet, S, Boland, A, Stoeber, M. | | Deposit date: | 2023-09-29 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist.
Biorxiv, 2023
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7TJF
 | | S. cerevisiae ORC bound to 84 bp ARS1 DNA | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA, 84 bp ARS1, ... | | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | | Deposit date: | 2022-01-16 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Nat Commun, 13, 2022
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7TVI
 | | Alpha1/BetaB Heteromeric Glycine Receptor in Glycine-Bound State | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor beta subunit 2, ... | | Authors: | Gibbs, E, Chakrapani, S, Kumar, A. | | Deposit date: | 2022-02-04 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Conformational transitions and allosteric modulation in a heteromeric glycine receptor
Nat Commun, 14, 2023
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7TU9
 | | Alpha1/BetaB Heteromeric Glycine Receptor in Strychnine-Bound State | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor beta subunit 2, ... | | Authors: | Gibbs, E, Kumar, A, Chakrapani, S. | | Deposit date: | 2022-02-02 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Conformational transitions and allosteric modulation in a heteromeric glycine receptor
Nat Commun, 14, 2023
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7TJK
 | | S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 2) with docked Orc6 N-terminal domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | | Deposit date: | 2022-01-16 | | Release date: | 2022-10-05 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Nat Commun, 13, 2022
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7TJJ
 | | S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 1) with docked Orc6 N-terminal domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | | Deposit date: | 2022-01-16 | | Release date: | 2022-10-05 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6.
Nat Commun, 13, 2022
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1FMQ
 | | Cyclo-butyl-bis-furamidine complexed with dCGCGAATTCGCG | | Descriptor: | 2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. | | Deposit date: | 2000-08-18 | | Release date: | 2000-09-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans
Bioorg.Med.Chem.Lett., 10, 2000
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