4GC6
 
 | | Crystal structure of Dpo4 in complex with N-MC-dAMP opposite dT | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Eoff, R.L, Ketkar, A, Banerjee, S, Zafar, M.K. | | Deposit date: | 2012-07-29 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.895 Å) | | Cite: | Differential furanose selection in the active sites of archaeal DNA polymerases probed by fixed-conformation nucleotide analogues.
Biochemistry, 51, 2012
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5EJK
 | | Crystal structure of the Rous sarcoma virus intasome | | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)-3'), DNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*T)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*CP*TP*C)-3'), ... | | Authors: | Yin, Z, Shi, K, Banerjee, S, Aihara, H. | | Deposit date: | 2015-11-02 | | Release date: | 2016-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of the Rous sarcoma virus intasome.
Nature, 530, 2016
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8Q6S
 | | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase, ... | | Authors: | Mazurkewich, S, Seveso, A, Banerjee, S, Lo Leggio, L, Larsbrink, J. | | Deposit date: | 2023-08-14 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.99 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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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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6WMV
 | | Structure of a phosphatidylinositol-phosphate synthase (PIPS) from Mycobacterium kansasii with evidence of substrate binding | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,3',3''-phosphanetriyltripropanoic acid, AfCTD-Phosphatidylinositol-phosphate synthase (PIPS) fusion, ... | | Authors: | Belcher Dufrisne, M, Jorge, C.D, Timoteo, C.G, Petrou, V.I, Ashraf, K.U, Banerjee, S, Clarke, O.B, Santos, H, Mancia, F. | | Deposit date: | 2020-04-21 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.142 Å) | | Cite: | Structural and Functional Characterization of Phosphatidylinositol-Phosphate Biosynthesis in Mycobacteria.
J.Mol.Biol., 432, 2020
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6WM5
 | | Structure of a phosphatidylinositol-phosphate synthase (PIPS) from Mycobacterium kansasii | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 3,3',3''-phosphanetriyltripropanoic acid, ... | | Authors: | Belcher Dufrisne, M, Jorge, C.D, Timoteo, C.G, Petrou, V.I, Ashraf, K.U, Banerjee, S, Clarke, O.B, Santos, H, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2020-04-20 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Structural and Functional Characterization of Phosphatidylinositol-Phosphate Biosynthesis in Mycobacteria.
J.Mol.Biol., 432, 2020
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6WQX
 | | Human PRPK-TPRKB complex | | Descriptor: | EKC/KEOPS complex subunit TP53RK, EKC/KEOPS complex subunit TPRKB, MAGNESIUM ION, ... | | Authors: | Li, J, Ma, X.L, Banerjee, S, Dong, Z.G. | | Deposit date: | 2020-04-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal structure of the human PRPK-TPRKB complex.
Commun Biol, 4, 2021
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6B0B
 | | Crystal structure of human APOBEC3H | | Descriptor: | APOBEC3H, MCherry, RNA (5'-R(*UP*AP*AP*AP*AP*AP*AP*A)-3'), ... | | Authors: | Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H. | | Deposit date: | 2017-09-14 | | Release date: | 2017-10-25 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (3.2800622 Å) | | Cite: | The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism.
Mol. Cell, 69, 2018
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6BBO
 | | Crystal structure of human APOBEC3H/RNA complex | | Descriptor: | APOBEC3H, GLYCEROL, MCherry fluorescent protein, ... | | Authors: | Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H. | | Deposit date: | 2017-10-19 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.428 Å) | | Cite: | The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism.
Mol. Cell, 69, 2018
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4QC9
 | | Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant 3GD4 | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Uracil-DNA glycosylase | | Authors: | Sartmatova, D, Nash, T, Schormann, N, Nuth, M, Ricciardi, R, Banerjee, S, Chattopadhyay, D. | | Deposit date: | 2014-05-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.259 Å) | | Cite: | Crystal structure of Vaccinia virus uracil-DNA glycosylase mutant 3GD4
To be Published
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4OTY
 | | Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | | Authors: | Xu, S, Windsor, M.A, Banerjee, S, Marnett, L.J. | | Deposit date: | 2014-02-14 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.354 Å) | | Cite: | Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib.
Bioorg.Med.Chem.Lett., 23, 2013
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4O1Z
 | | Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreselasie, K, Clayton, G.M, Garavito, R.M, Marnett, L.J. | | Deposit date: | 2013-12-16 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
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4OTJ
 | | The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide | | Descriptor: | (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | | Deposit date: | 2014-02-13 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.
Acs Chem.Biol., 11, 2016
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4RRY
 | | Crystal Structure of Apo Murine H90W Cyclooxygenase-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | | Deposit date: | 2014-11-06 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.429 Å) | | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
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4RUT
 | | crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid | | Descriptor: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. | | Deposit date: | 2014-11-21 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase.
J.Biol.Chem., 290, 2015
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4RRX
 | | Crystal Structure of Apo Murine V89W Cyclooxygenase-2 Complexed with Lumiracoxib | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | | Authors: | Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. | | Deposit date: | 2014-11-06 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
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4O6N
 | | Structure of AF2299, a CDP-alcohol phosphotransferase (CDP-bound) | | Descriptor: | AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ... | | Authors: | Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2013-12-22 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
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4PWM
 | | Crystal structure of Dickerson Drew Dodecamer with 5-carboxycytosine | | Descriptor: | 5'-[CGCGAATT(5CC)GCG]-3' | | Authors: | Szulik, M.W, Pallan, P, Banerjee, S, Voehler, M, Egli, M, Stone, M.P. | | Deposit date: | 2014-03-20 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Differential stabilities and sequence-dependent base pair opening dynamics of watson-crick base pairs with 5-hydroxymethylcytosine, 5-formylcytosine, or 5-carboxylcytosine.
Biochemistry, 54, 2015
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4Q7C
 | | Structure of AF2299, a CDP-alcohol phosphotransferase | | Descriptor: | AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ... | | Authors: | Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2014-04-24 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
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4O6M
 | | Structure of AF2299, a CDP-alcohol phosphotransferase (CMP-bound) | | Descriptor: | AF2299, a CDP-alcohol phosphotransferase, CALCIUM ION, ... | | Authors: | Clarke, O.B, Sciara, G, Tomasek, D, Banerjee, S, Rajashankar, K.R, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | Deposit date: | 2013-12-22 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structural basis for catalysis in a CDP-alcohol phosphotransferase.
Nat Commun, 5, 2014
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7K32
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site | | Descriptor: | DNA (27-MER), Endonuclease Q, MAGNESIUM ION, ... | | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K33
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site | | Descriptor: | DNA (27-MER), Endonuclease Q, MAGNESIUM ION, ... | | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K30
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dU at the active site | | Descriptor: | 1,2-ETHANEDIOL, DNA (27-MER), Endonuclease Q, ... | | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K31
 | | Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dI at the active site | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (27-MER), ... | | Authors: | Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H. | | Deposit date: | 2020-09-10 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7PXV
 | | LsAA9_A chemically reduced with ascorbic acid (high X-ray dose) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | | Authors: | Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J, 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 (1.5 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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