5IQY
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![BU of 5iqy by Molmil](/molmil-images/mine/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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1BPE
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![BU of 1bpe by Molmil](/molmil-images/mine/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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7QV7
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![BU of 7qv7 by Molmil](/molmil-images/mine/7qv7) | Cryo-EM structure of Hydrogen-dependent CO2 reductase. | Descriptor: | Hydrogen dependent carbon dioxide reductase subunit FdhF, Hydrogen dependent carbon dioxide reductase subunit HycB3, Hydrogen dependent carbon dioxide reductase subunit HycB4, ... | Authors: | Dietrich, H.M, Righetto, R.D, Kumar, A, Wietrzynski, W, Schuller, S.K, Trischler, R, Wagner, J, Schwarz, F.M, Engel, B.D, Mueller, V, Schuller, J.M. | Deposit date: | 2022-01-19 | Release date: | 2022-07-06 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Membrane-anchored HDCR nanowires drive hydrogen-powered CO 2 fixation. Nature, 607, 2022
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8IYO
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![BU of 8iyo by Molmil](/molmil-images/mine/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
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![BU of 8iym by Molmil](/molmil-images/mine/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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4B2Z
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![BU of 4b2z by Molmil](/molmil-images/mine/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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6HUE
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![BU of 6hue by Molmil](/molmil-images/mine/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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1RQC
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![BU of 1rqc by Molmil](/molmil-images/mine/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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8BG9
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![BU of 8bg9 by Molmil](/molmil-images/mine/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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8BG0
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![BU of 8bg0 by Molmil](/molmil-images/mine/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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2BPC
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![BU of 2bpc by Molmil](/molmil-images/mine/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
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![BU of 8bfz by Molmil](/molmil-images/mine/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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6I1D
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![BU of 6i1d by Molmil](/molmil-images/mine/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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3QG1
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![BU of 3qg1 by Molmil](/molmil-images/mine/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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7XBJ
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![BU of 7xbj by Molmil](/molmil-images/mine/7xbj) | 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
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2BPF
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![BU of 2bpf by Molmil](/molmil-images/mine/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
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![BU of 2bpg by Molmil](/molmil-images/mine/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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8QOT
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![BU of 8qot by Molmil](/molmil-images/mine/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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5ULM
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7D5L
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![BU of 7d5l by Molmil](/molmil-images/mine/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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7VMH
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![BU of 7vmh by Molmil](/molmil-images/mine/7vmh) | |
7VMI
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![BU of 7vmi by Molmil](/molmil-images/mine/7vmi) | |
5I4F
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![BU of 5i4f by Molmil](/molmil-images/mine/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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4JC4
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![BU of 4jc4 by Molmil](/molmil-images/mine/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
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![BU of 7fcn by Molmil](/molmil-images/mine/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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