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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5HWI
| Crystal structure of selenomethionine labelled gama glutamyl cyclotransferease specific to glutathione from yeast | Descriptor: | GLYCEROL, Glutathione-specific gamma-glutamylcyclotransferase, SUCCINIC ACID | Authors: | Kaur, A, Gautam, R, Srivastava, R, Chandel, A, Kumar, A, Karthikeyan, S, Bachhawat, A.K. | Deposit date: | 2016-01-29 | Release date: | 2016-12-14 | Last modified: | 2017-01-25 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | ChaC2, an Enzyme for Slow Turnover of Cytosolic Glutathione J. Biol. Chem., 292, 2017
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5HWK
| Crystal structure of gama glutamyl cyclotransferease specific to glutathione from yeast | Descriptor: | BENZOIC ACID, Glutathione-specific gamma-glutamylcyclotransferase, PHOSPHATE ION | Authors: | Kaur, A, Gautam, R, Srivastava, R, Chandel, A, Kumar, A, Karthikeyan, S, Bachhawat, A.K. | Deposit date: | 2016-01-29 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.344 Å) | Cite: | ChaC2, an Enzyme for Slow Turnover of Cytosolic Glutathione J. Biol. Chem., 292, 2017
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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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1FMS
| Structure of complex between cyclohexyl-bis-furamidine and d(CGCGAATTCGCG) | Descriptor: | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)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 (1.9 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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7VMH
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7VMI
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6IFG
| 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
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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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5XYL
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6IFF
| 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
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6KP1
| 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
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6KP0
| 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
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6KOZ
| 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
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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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1RL4
| 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
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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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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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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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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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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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7YH4
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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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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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