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PDB: 136 results

7M7V
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BU of 7m7v by Molmil
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
1BAM
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STRUCTURE OF RESTRICTION ENDONUCLEASE BAMHI PHASED AT 1.95 ANGSTROMS RESOLUTION BY MAD ANALYSIS
Descriptor: ENDONUCLEASE BamH I
Authors:Aggarwal, A.K, Newman, M.
Deposit date:1994-12-28
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of restriction endonuclease bamhi phased at 1.95 A resolution by MAD analysis.
Structure, 2, 1994
1BHM
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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
2OR1
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BU of 2or1 by Molmil
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
2EZV
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BU of 2ezv by Molmil
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
2R5Y
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BU of 2r5y by Molmil
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
2R5Z
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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
2F03
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BU of 2f03 by Molmil
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
5V41
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BU of 5v41 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM5
Descriptor: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3W
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BU of 5v3w by Molmil
Crystal Structure of the Apo form of Thioesterase domain of Mtb Pks13
Descriptor: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, Polyketide synthase Pks13 (Termination polyketide synthase)
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.723 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V42
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BU of 5v42 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM3
Descriptor: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3Y
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BU of 5v3y by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM16
Descriptor: 2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 (Termination polyketide synthase), SULFATE ION
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3Z
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BU of 5v3z by Molmil
Crystal Structure of the D1607N mutant form of Thioesterase domain of Mtb Pks13
Descriptor: PENTAETHYLENE GLYCOL, Polyketide synthase Pks13 (Termination polyketide synthase), SULFATE ION
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3X
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BU of 5v3x by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM1
Descriptor: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V40
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BU of 5v40 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM6
Descriptor: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
6UWA
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BU of 6uwa by Molmil
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
3BAM
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BU of 3bam by Molmil
RESTRICTION ENDONUCLEASE BAMHI COMPLEX WITH DNA AND MANGANESE IONS (POST-REACTIVE COMPLEX)
Descriptor: DNA (5'-D(*TP*AP*TP*G)-3'), DNA (5'-D(*TP*AP*TP*GP*GP*AP*TP*CP*CP*AP*TP*A)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*AP*TP*A)-3'), ...
Authors:Viadiu, H, Aggarwal, A.K.
Deposit date:1998-08-19
Release date:1999-01-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The role of metals in catalysis by the restriction endonuclease BamHI.
Nat.Struct.Biol., 5, 1998
2P0J
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BU of 2p0j by Molmil
Structure of restriction endonuclease BstYI bound to non-cognate DNA
Descriptor: 5'-D(*AP*TP*GP*AP*AP*TP*CP*CP*AP*TP*A)-3', 5'-D(*TP*AP*TP*GP*GP*AP*TP*TP*CP*AP*T)-3', BstYI
Authors:Townson, S.A, Samuelson, J.C, Bao, Y, Xu, S.Y, Aggarwal, A.K.
Deposit date:2007-02-28
Release date:2007-05-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:BstYI Bound to Noncognate DNA Reveals a "Hemispecific" Complex: Implications for DNA Scanning.
Structure, 15, 2007
9C3T
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BU of 9c3t by Molmil
Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTAAAC 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:2024-09-25
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
9C3U
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BU of 9c3u by Molmil
Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTTTAC 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:2024-09-25
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
9C3S
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BU of 9c3s by Molmil
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
2PI0
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BU of 2pi0 by Molmil
Crystal Structure of IRF-3 bound to the PRDIII-I regulatory element of the human interferon-B enhancer
Descriptor: Interferon regulatory factor 3, PRDIII-I region of human interferon-B promoter strand 1, PRDIII-I region of human interferon-B promoter strand 2
Authors:Escalante, C.R, Nistal-Villan, E, Leyi, S, Garcia-Sastre, A, Aggarwal, A.K.
Deposit date:2007-04-12
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure of IRF-3 bound to the PRDIII-I regulatory element of the human interferon-beta enhancer.
Mol.Cell, 26, 2007
7M5B
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BU of 7m5b by Molmil
Crystal Structure of human BAK in complex with M3W5_BID
Descriptor: BH3-interacting domain death agonist p15, Bcl-2 homologous antagonist/killer, COPPER (II) ION
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
7M5C
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BU of 7m5c by Molmil
Crystal Structure of human BAK in complex with WT BAK BH3 peptide
Descriptor: Bcl-2 homologous antagonist/killer, COPPER (II) ION, SULFATE ION
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
7M5A
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BU of 7m5a by Molmil
Crystal Structure of human BAK in complex with W3W5_BID
Descriptor: BH3-interacting domain death agonist p15, Bcl-2 homologous antagonist/killer
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022

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