1BAM
 
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7M7V
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 | | Descriptor: | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 | | Authors: | Aggarwal, A, Sacchettini, J.C. | | Deposit date: | 2021-03-29 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target.
J.Med.Chem., 65, 2022
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1BHM
 | | RESTRICTION ENDONUCLEASE BAMHI COMPLEX WITH DNA | | Descriptor: | DNA (5'-D(*TP*AP*TP*GP*GP*AP*TP*CP*CP*AP*TP*A)-3'), PROTEIN (BAMHI (E.C.3.1.21.4)) | | Authors: | Aggarwal, A.K, Newman, M. | | Deposit date: | 1995-07-12 | | Release date: | 1995-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Bam HI endonuclease bound to DNA: partial folding and unfolding on DNA binding.
Science, 269, 1995
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5V3X
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5V40
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2EZV
 | | Crystal structure of tetrameric restriction endonuclease SfiI bound to cognate DNA. | | Descriptor: | 5'-D(*AP*GP*GP*CP*CP*TP*TP*GP*TP*TP*GP*GP*CP*CP*A)-3', 5'-D(*TP*GP*GP*CP*CP*AP*AP*CP*AP*AP*GP*GP*CP*CP*T)-3', CALCIUM ION, ... | | Authors: | Aggarwal, A.K, Vanamee, E.S, Viadiu, H. | | Deposit date: | 2005-11-10 | | Release date: | 2006-01-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A view of consecutive binding events from structures of tetrameric endonuclease SfiI bound to DNA
Embo J., 24, 2005
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2R5Y
 | | Structure of Scr/Exd complex bound to a consensus Hox-Exd site | | Descriptor: | DNA (5'-D(*DAP*DCP*DTP*DCP*DTP*DAP*DTP*DGP*DAP*DTP*DTP*DTP*DAP*DTP*DGP*DGP*DGP*DCP*DTP*DG)-3'), DNA (5'-D(*DTP*DCP*DAP*DGP*DCP*DCP*DCP*DAP*DTP*DAP*DAP*DAP*DTP*DCP*DAP*DTP*DAP*DGP*DAP*DG)-3'), Homeobox protein extradenticle, ... | | Authors: | Aggarwal, A.K, Passner, J.M, Jain, R. | | Deposit date: | 2007-09-04 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functional specificity of a Hox protein mediated by the recognition of minor groove structure
Cell(Cambridge,Mass.), 131, 2007
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2R5Z
 | | Structure of Scr/Exd complex bound to a DNA sequence derived from the fkh gene | | Descriptor: | DNA (5'-D(*DAP*DCP*DTP*DCP*DTP*DAP*DAP*DGP*DAP*DTP*DTP*DAP*DAP*DTP*DCP*DGP*DGP*DCP*DTP*DG)-3'), DNA (5'-D(*DTP*DCP*DAP*DGP*DCP*DCP*DGP*DAP*DTP*DTP*DAP*DAP*DTP*DCP*DTP*DTP*DAP*DGP*DAP*DG)-3'), Homeobox protein extradenticle, ... | | Authors: | Aggarwal, A.K, Passner, J.M, Jain, R. | | Deposit date: | 2007-09-04 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functional specificity of a Hox protein mediated by the recognition of minor groove structure
Cell(Cambridge,Mass.), 131, 2007
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5V41
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5V3Z
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5V42
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5V3Y
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5V3W
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2OR1
 | | RECOGNITION OF A DNA OPERATOR BY THE REPRESSOR OF PHAGE 434. A VIEW AT HIGH RESOLUTION | | Descriptor: | 434 REPRESSOR, DNA (5'-D(*AP*AP*GP*TP*AP*CP*AP*AP*AP*CP*TP*TP*TP*CP*TP*TP*G P*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*GP*AP*AP*AP*GP*TP*TP*TP*GP*T P*AP*CP*T)-3') | | Authors: | Aggarwal, A.K, Rodgers, D.W, Drottar, M, Ptashne, M, Harrison, S.C. | | Deposit date: | 1989-09-05 | | Release date: | 1989-09-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Recognition of a DNA operator by the repressor of phage 434: a view at high resolution.
Science, 242, 1988
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2F03
 | | Crystal structure of tetrameric restriction endonuclease SfiI in complex with cognate DNA (partial bound form) | | Descriptor: | CALCIUM ION, DNA (5'-D(*AP*AP*TP*AP*GP*GP*CP*CP*TP*TP*GP*TP*TP*GP*GP*CP*CP*AP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*G*TP*GP*GP*CP*CP*AP*AP*CP*AP*AP*GP*GP*CP*CP*TP*AP*TP*T)-3'), ... | | Authors: | Aggarwal, A.K, Vanamee, E.S, Viadiu, H | | Deposit date: | 2005-11-11 | | Release date: | 2007-01-16 | | Last modified: | 2015-09-09 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | A view of consecutive binding events from structures of tetrameric endonuclease SfiI bound to DNA.
Embo J., 24, 2005
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6UWA
 | | Mouse PKC C1B and C2 domains | | Descriptor: | CITRIC ACID, LEAD (II) ION, Protein kinase C, ... | | Authors: | Aggarwal, A, Mire, J, Sacchettini, J.C, Igumenova, T. | | Deposit date: | 2019-11-04 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Mouse PKC C1B and C2 domains
To Be Published
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1VRR
 | | Crystal structure of the restriction endonuclease BstYI complex with DNA | | Descriptor: | 5'-D(*TP*TP*AP*TP*AP*GP*AP*TP*CP*TP*AP*TP*AP*A)-3', BstYI | | Authors: | Townson, S.A, Samuelson, J.C, Xu, S.Y, Aggarwal, A.K. | | Deposit date: | 2005-06-02 | | Release date: | 2005-06-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Implications for Switching Restriction Enzyme Specificities from the Structure of BstYI Bound to a BglII DNA Sequence.
Structure, 13, 2005
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4EEY
 | | Crystal structure of human DNA polymerase eta in ternary complex with a cisplatin DNA adduct | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*TP*GP*GP*TP*CP*TP*CP*CP*TP*CP*C)-3', 5'-D(*TP*GP*GP*AP*GP*GP*AP*GP*A)-3', ... | | Authors: | Ummat, A, Rechkoblit, O, Jain, R, Choudhury, J.R, Johnson, R.E, Silverstein, T.D, Buku, A, Lone, S, Prakash, L, Prakash, S, Aggarwal, A.K. | | Deposit date: | 2012-03-28 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural basis for cisplatin DNA damage tolerance by human polymerase {eta} during cancer chemotherapy.
Nat.Struct.Mol.Biol., 19, 2012
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5J17
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8FRK
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2FLP
 | | Binary complex of the catalytic core of human DNA polymerase iota with DNA (template G) | | Descriptor: | DNA polymerase iota, DNA primer strand, DNA template strand | | Authors: | Nair, D.T, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K. | | Deposit date: | 2006-01-06 | | Release date: | 2006-12-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An incoming nucleotide imposes an anti to syn conformational change on the templating purine in the human DNA polymerase-iota active site.
Structure, 14, 2006
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7S0T
 | | Structure of DNA polymerase zeta with mismatched DNA | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (30-MER), ... | | Authors: | Malik, R, Ubarretxena, I.B, Aggarwal, A.K. | | Deposit date: | 2021-08-31 | | Release date: | 2022-03-09 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Cryo-EM structure of translesion DNA synthesis polymerase zeta with a base pair mismatch.
Nat Commun, 13, 2022
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3BAM
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6Q02
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8FRJ
 | | Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SGC0946 | | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Transcription factor ETV6,Guanine-N7 methyltransferase nsp14 chimera, ZINC ION | | Authors: | Kottur, J, Aggarwal, A.K. | | Deposit date: | 2023-01-07 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structures of SARS-CoV-2 N7-methyltransferase with DOT1L and PRMT7 inhibitors provide a platform for new antivirals.
Plos Pathog., 19, 2023
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