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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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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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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8BG0
| 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
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8BG9
| 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
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8BFZ
| 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
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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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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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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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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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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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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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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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6A8Z
| Crystal structure of M1 zinc metallopeptidase from Deinococcus radiodurans | Descriptor: | SODIUM ION, TYROSINE, ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Makde, R.D. | Deposit date: | 2018-07-11 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.045 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
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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 | 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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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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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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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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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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1BPE
| CRYSTAL STRUCTURE OF RAT DNA POLYMERASE BETA; EVIDENCE FOR A COMMON POLYMERASE MECHANISM | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA POLYMERASE BETA | Authors: | Sawaya, M.R, Pelletier, H, Kumar, A, Wilson, S.H, Kraut, J. | Deposit date: | 1994-04-12 | Release date: | 1994-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of rat DNA polymerase beta: evidence for a common polymerase mechanism. Science, 264, 1994
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8HMU
| Crystal Structure of PKM2 mutant R516C | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | Authors: | Upadhyay, S, Kumar, A, Patel, A.K. | Deposit date: | 2022-12-05 | Release date: | 2023-01-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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8HMS
| Crystal Structure of PKM2 mutant C474S | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ... | Authors: | Upadhyay, S, Kumar, A, Patel, A.K. | Deposit date: | 2022-12-05 | Release date: | 2023-01-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published
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