3T5K
 
 | | Ternary complex of HNE Adduct modified DNA (5'-TXG-3' vs 14-mer) with Dpo4 and incoming dDTP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*(HN0)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2011-07-27 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV.
Chem.Res.Toxicol., 25, 2012
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3T5J
 | | Ternary complex of HNE Adduct modified DNA (5'-TXG-3' vs 13-mer) with Dpo4 and incoming dDTP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*(HN1)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2011-07-27 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV.
Chem.Res.Toxicol., 25, 2012
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7PTZ
 | | High resolution X-ray structure of E. coli expressed Lentinus similis LPMO. | | Descriptor: | Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION | | Authors: | Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J.O, Hernandez-Rollan, C, Norholm, H.H.M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2021-09-27 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.093 Å) | | Cite: | Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Biomolecules, 12, 2022
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7PU1
 | | High resolution X-ray structure of Thermoascus aurantiacus LPMO | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Banerjee, S, Frandsen, K.E.H, Singh, R.K, Bjerrum, M.J, Lo Leggio, L. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Biomolecules, 12, 2022
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7BKX
 | | Diploptera punctata inspired lipocalin-like Milk protein expressed in Saccharomyces cerevisiae | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Banerjee, S, Kanagavijayan, D, Subramanian, R, Santhakumari, P.R, Chavas, L.M.G, Ramaswamy, S. | | Deposit date: | 2021-01-17 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of recombinantly expressed cockroach Lili-Mip protein in glycosylated and deglycosylated forms.
Biochim Biophys Acta Gen Subj, 1866, 2022
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8B9X
 | | Chimeric protein of human UFM1 E3 ligase, UFL1, and DDRGK1 | | Descriptor: | CHLORIDE ION, DDRGK domain-containing protein 1,E3 UFM1-protein ligase 1 | | Authors: | Wiener, R, Isupov, M, banerjee, S. | | Deposit date: | 2022-10-10 | | Release date: | 2023-10-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.066 Å) | | Cite: | Structural study of UFL1-UFC1 interaction uncovers the role of UFL1 N-terminal helix in ufmylation.
Embo Rep., 24, 2023
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8QEF
 | | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola ATCC 8482 bound to novel ligand. | | Descriptor: | 1,2-ETHANEDIOL, Putative acetyl xylan esterase, beta-D-galactopyranuronic acid | | Authors: | Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L. | | Deposit date: | 2023-08-31 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
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8QCL
 | | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L. | | Deposit date: | 2023-08-27 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
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4JV2
 | | Ternary complex of gamma-OHPDG adduct modified dna with dna (-1 primer) polymerase iv and incoming datp | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ... | | Authors: | Banerjee, S, Shanmugam, G, Stone, M.P. | | Deposit date: | 2013-03-25 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
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4JUZ
 | | Ternary complex of gamma-OHPDG adduct modified dna (zero primer) with dna polymerase iv and incoming dgtp | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), ... | | Authors: | Banerjee, S, Shanmugam, G, Stone, M.P. | | Deposit date: | 2013-03-25 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
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4JV1
 | | Ternary complex of gamma-OHPDG adduct modified dna with dna (-1 primer) polymerase iv and incoming dgtp | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ... | | Authors: | Banerjee, S, Shanmugam, G, Stone, M.P. | | Deposit date: | 2013-03-25 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
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4JV0
 | | Ring-Opening of the -OH-PdG Adduct in Ternary Complexes with the Sulfolobus solfataricus DNA polymerase Dpo4 | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), ... | | Authors: | Banerjee, S, Shanmugam, G, Stone, M.P. | | Deposit date: | 2013-03-25 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
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7Q02
 | | Zn-free structure of lipocalin-like Milk protein, inspired from Diploptera punctata, expressed in Saccharomyces cerevisiae | | Descriptor: | Milk protein, PALMITOLEIC ACID | | Authors: | Banerjee, S, Dhanabalan, K.V, Ramaswamy, S. | | Deposit date: | 2021-10-14 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of recombinantly expressed cockroach Lili-Mip protein in glycosylated and deglycosylated forms.
Biochim Biophys Acta Gen Subj, 1866, 2022
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7PXW
 | | LPMO, expressed in E.coli, in complex with Cellotetraose | | Descriptor: | Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J, Rollan, C.H, Norholm, M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2021-10-08 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
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6UAN
 | | B-Raf:14-3-3 complex | | Descriptor: | 14-3-3 zeta, Serine/threonine-protein kinase B-raf | | Authors: | Kondo, Y, Ognjenovic, J, Banerjee, S, Karandur, D, Merk, A, Kulhanek, K, Wong, K, Roose, J.P, Subramaniam, S, Kuriyan, J. | | Deposit date: | 2019-09-11 | | Release date: | 2019-09-25 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases.
Science, 366, 2019
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7MC6
 | | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | | Deposit date: | 2021-04-01 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7MC5
 | | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ... | | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | | Deposit date: | 2021-04-01 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5W58
 | | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | | Deposit date: | 2017-06-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.267 Å) | | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
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5H8T
 | | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol | | Descriptor: | RETINOL, Retinol-binding protein 1 | | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | | Deposit date: | 2015-12-23 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures.
J.Biol.Chem., 291, 2016
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5HGJ
 | | Structure of integrin alpha1beta1 and alpha2beta1 I-domains explain differential calcium-mediated ligand recognition | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Brown, K.L, Banerjee, S, Feigley, A, Abe, H, Blackwell, T, Zent, R, Pozzi, A, Hudson, B.H. | | Deposit date: | 2016-01-08 | | Release date: | 2017-04-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
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5HJ2
 | | Integrin alpha2beta1 I-domain | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Brown, K.L, Banerjee, S. | | Deposit date: | 2016-01-12 | | Release date: | 2017-04-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.153 Å) | | Cite: | Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
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6E6M
 | | Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO) | | Descriptor: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, Retinol-binding protein 1 | | Authors: | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-25 | | Release date: | 2019-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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6E5T
 | | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO) | | Descriptor: | (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | | Authors: | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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4EBC
 | | Conformationally Restrained North-methanocarba-2'-deoxyadenosine Corrects the Error-Prone Nature of Human DNA Polymerase Iota | | Descriptor: | 5'-D(P*AP*GP*GP*AP*CP*CP*(DOC))-3', 5'-D(P*CP*TP*GP*GP*GP*TP*CP*CP*T)-3', CALCIUM ION, ... | | Authors: | Eoff, R.L, Ketkar, A, Banerjee, S. | | Deposit date: | 2012-03-23 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | A Nucleotide-Analogue-Induced Gain of Function Corrects the Error-Prone Nature of Human DNA Polymerase iota.
J.Am.Chem.Soc., 134, 2012
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4EBD
 | | Conformationally Restrained North-methanocarba-2'-deoxyadenosine Corrects the Error-Prone Nature of Human DNA Polymerase Iota | | Descriptor: | 5'-D(P*AP*GP*GP*AP*CP*CP*(DOC))-3', 5'-D(P*CP*TP*GP*GP*GP*TP*CP*CP*T)-3', CALCIUM ION, ... | | Authors: | Eoff, R.L, Ketkar, A, Banerjee, S. | | Deposit date: | 2012-03-23 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.571 Å) | | Cite: | A Nucleotide-Analogue-Induced Gain of Function Corrects the Error-Prone Nature of Human DNA Polymerase iota.
J.Am.Chem.Soc., 134, 2012
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