1BAM
 
 | |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
5V3W
 | |
5V40
 | |
5V3Z
 | |
5V42
 | |
5V3Y
 | |
5V41
 | |
5V3X
 | |
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
|
|
3BJY
 | | Catalytic core of Rev1 in complex with DNA (modified template guanine) and incoming nucleotide | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*DAP*DTP*DCP*DCP*DTP*DCP*DCP*DCP*DCP*DTP*DAP*(DOC))-3'), DNA (5'-D(*DTP*DAP*DAP*(P)P*DGP*DTP*DAP*DGP*DGP*DGP*DGP*DAP*DGP*DGP*DAP*DT)-3'), ... | | Authors: | Nair, D.T, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K. | | Deposit date: | 2007-12-05 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Protein-template-directed synthesis across an acrolein-derived DNA adduct by yeast Rev1 DNA polymerase
Structure, 16, 2008
|
|
2ALZ
 | | Ternary Complex of hPoli with DNA and dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*GP*GP*AP*CP*CP*(DOC))-3', 5'-D(*TP*GP*GP*GP*GP*TP*CP*CP*T)-3', ... | | Authors: | Nair, D.T, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K. | | Deposit date: | 2005-08-08 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human DNA Polymerase iota Incorporates dCTP Opposite Template G via a G.C+ Hoogsteen Base Pair.
Structure, 13, 2005
|
|
5J18
 | | Solution structure of Ras Binding Domain (RBD) of B-Raf complexed with Rigosertib (Complex I) | | Descriptor: | N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine, Serine/threonine-protein kinase B-raf | | Authors: | Dutta, K, Vasquez-Del Carpio, R, Aggarwal, A.K, Reddy, E.P. | | Deposit date: | 2016-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling.
Cell, 165, 2016
|
|
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 | | Last modified: | 2024-06-05 | | 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
|
|
5IUD
 | |
3BAM
 | |
5WM1
 | | Structure of the 10S (+)-trans-BP-dG modified Rev1 ternary complex | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K. | | Deposit date: | 2017-07-28 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
|
|
5WM8
 | | Structure of the 10R (+)-cis-BP-dG modified Rev1 ternary complex | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K. | | Deposit date: | 2017-07-28 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
|
|
9C3S
 | | Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTATAC as recognition sequence | | Descriptor: | DNA1, DNA2, Methyltransferase, ... | | Authors: | Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K. | | Deposit date: | 2024-06-02 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
|
|
