1RQC
 
 | | 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
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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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3P20
 | | 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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8TU9
 | | Cryo-EM structure of HGSNAT-acetyl-CoA complex at pH 7.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, Enhanced green fluorescent protein,Heparan-alpha-glucosaminide N-acetyltransferase,Isoform 2 of Heparan-alpha-glucosaminide N-acetyltransferase | | Authors: | Navratna, V, Kumar, A, Mosalaganti, S. | | Deposit date: | 2023-08-15 | | Release date: | 2024-02-07 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structure of the human heparan-alpha-glucosaminide N -acetyltransferase (HGSNAT).
Elife, 13, 2024
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3QG1
 | | Crystal structure of P-loop G239A mutant of subunit A of the A1AO ATP synthase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, V-type ATP synthase alpha chain | | Authors: | Ragunathan, P, Manimekalai, M.S.S, Kumar, A, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2011-01-24 | | Release date: | 2011-10-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Conserved glycine residues in the P-loop of ATP synthases form a doorframe for nucleotide entrance.
J.Mol.Biol., 413, 2011
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8V8K
 | | Crystal Structure of Nanobody NbE | | Descriptor: | Nanobody NbE | | Authors: | Koehl, A, Manglik, A, Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Steyaert, J, Ballet, S, Boland, A, Stoeber, M. | | Deposit date: | 2023-12-05 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist
To Be Published
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7Q4V
 | | Electron bifurcating hydrogenase - HydABC from A. woodii | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | Authors: | 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. | | Deposit date: | 2021-11-02 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
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2BPC
 | | CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA: EVIDENCE FOR A COMMON POLYMERASE MECHANISM | | Descriptor: | DNA POLYMERASE BETA, MANGANESE (II) ION | | Authors: | Sawaya, M.R, Pelletier, H, Kumar, A, Wilson, S.H, Kraut, J. | | Deposit date: | 1994-07-08 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of rat DNA polymerase beta: evidence for a common polymerase mechanism.
Science, 264, 1994
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5IQY
 | | Structure of apo-Dehydroascorbate Reductase from Pennisetum Glaucum phased by Iodide-SAD method | | Descriptor: | Dehydroascorbate reductase, IODIDE ION | | Authors: | Das, B.K, Kumar, A, Manidola, P, Arockiasamy, A. | | Deposit date: | 2016-03-11 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase
Biochem.Biophys.Res.Commun., 473, 2016
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8IYO
 | | Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form | | Descriptor: | ACETYL COENZYME *A, N-acetyltransferase domain-containing protein | | Authors: | Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S. | | Deposit date: | 2023-04-05 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of a protein acetyltransferase, HP0935, acetyl-CoA bound form
To be published
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8IYM
 | | Crystal structure of a protein acetyltransferase, HP0935 | | Descriptor: | 1,2-ETHANEDIOL, N-acetyltransferase domain-containing protein, POTASSIUM ION, ... | | Authors: | Dadireddy, V, Mahanta, P, Kumar, A, Desirazu, R.N, Ramakumar, S. | | Deposit date: | 2023-04-05 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a protein acetyltransferase, HP0935
To be published
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7YH4
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4QAJ
 | | Crystal structure of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa at 1.5 Angstrom resolution | | Descriptor: | Peptidyl-tRNA hydrolase | | Authors: | Singh, A, Kumar, A, Gautam, L, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Arora, A, Singh, T.P. | | Deposit date: | 2014-05-05 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 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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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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2BPF
 | | STRUCTURES OF TERNARY COMPLEXES OF RAT DNA POLYMERASE BETA, A DNA TEMPLATE-PRIMER, AND DDCTP | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*G)-3'), ... | | Authors: | Pelletier, H, Sawaya, M.R, Kumar, A, Wilson, S.H, Kraut, J. | | Deposit date: | 1994-05-19 | | Release date: | 1994-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of ternary complexes of rat DNA polymerase beta, a DNA template-primer, and ddCTP.
Science, 264, 1994
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2BPG
 | | STRUCTURES OF TERNARY COMPLEXES OF RAT DNA POLYMERASE BETA, A DNA TEMPLATE-PRIMER, AND DDCTP | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*GP*CP*CP*G)-3'), ... | | Authors: | Pelletier, H, Sawaya, M.R, Kumar, A, Wilson, S.H, Kraut, J. | | Deposit date: | 1994-05-19 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structures of ternary complexes of rat DNA polymerase beta, a DNA template-primer, and ddCTP.
Science, 264, 1994
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6EOJ
 | | 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.A. | | Deposit date: | 2017-10-09 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Architecture of eukaryotic mRNA 3'-end processing machinery.
Science, 358, 2017
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7BBI
 | | 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: | 2024-05-01 | | 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
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7BB4
 | | 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
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7BBC
 | | 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: | 2024-05-01 | | 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
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4FNO
 | | Crystal structure of peptidyl t-RNA hydrolase from Pseudomonas aeruginosa at 2.2 Angstrom resolution | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Peptidyl-tRNA hydrolase | | Authors: | Singh, A, Kumar, A, Arora, A, Singh, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-06-20 | | Release date: | 2012-07-04 | | 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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4B2Z
 | | Structure of Osh6 in complex with phosphatidylserine | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | | Authors: | Maeda, K, Anand, K, Chiapparino, A, Kumar, A, Poletto, M, Kaksonen, M, Gavin, A.C. | | Deposit date: | 2012-07-19 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Interactome Map Uncovers Phosphatidylserine Transport by Oxysterol-Binding Proteins
Nature, 501, 2013
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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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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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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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