5A6Z
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![BU of 5a6z by Molmil](/molmil-images/mine/5a6z) | Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis a | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, LECB, ... | Authors: | Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A. | Deposit date: | 2015-07-02 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery. Chem Sci, 7, 2016
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5I7E
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![BU of 5i7e by Molmil](/molmil-images/mine/5i7e) | |
4O6N
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![BU of 4o6n by Molmil](/molmil-images/mine/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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4RRW
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![BU of 4rrw by Molmil](/molmil-images/mine/4rrw) | Crystal Structure of Apo Murine 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 (2.569 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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4M10
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![BU of 4m10 by Molmil](/molmil-images/mine/4m10) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | 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-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 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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4RS0
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![BU of 4rs0 by Molmil](/molmil-images/mine/4rs0) | Crystal Structure of Murine H90W Cyclooxygenase-2 Complexed with S-ibuprofen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... | 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 (2.807 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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4O1Z
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![BU of 4o1z by Molmil](/molmil-images/mine/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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4RRZ
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![BU of 4rrz by Molmil](/molmil-images/mine/4rrz) | Crystal Structure of Apo Murine H90W 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 (2.569 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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4O6M
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![BU of 4o6m by Molmil](/molmil-images/mine/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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4RRY
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![BU of 4rry by Molmil](/molmil-images/mine/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
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![BU of 4rut by Molmil](/molmil-images/mine/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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4OTJ
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![BU of 4otj by Molmil](/molmil-images/mine/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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5A1A
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![BU of 5a1a by Molmil](/molmil-images/mine/5a1a) | 2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ... | Authors: | Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S. | Deposit date: | 2015-04-29 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | 2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor Science, 348, 2015
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6WMV
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![BU of 6wmv by Molmil](/molmil-images/mine/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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8Q6S
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![BU of 8q6s by Molmil](/molmil-images/mine/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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6N47
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![BU of 6n47 by Molmil](/molmil-images/mine/6n47) | The structure of SB-2-204-tubulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W. | Deposit date: | 2018-11-17 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors. Acs Chem.Biol., 14, 2019
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4OTY
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![BU of 4oty by Molmil](/molmil-images/mine/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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1RFR
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![BU of 1rfr by Molmil](/molmil-images/mine/1rfr) | NMR structure of the 30mer stemloop-D of coxsackieviral RNA | Descriptor: | stemloop-D RNA of the 5'-cloverleaf of coxsackievirus B3 | Authors: | Ohlenschlager, O, Wohnert, J, Bucci, E, Seitz, S, Hafner, S, Ramachandran, R, Zell, R, Gorlach, M. | Deposit date: | 2003-11-10 | Release date: | 2004-03-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of the stemloop D subdomain of coxsackievirus B3 cloverleaf
RNA and its interaction with the proteinase 3C. STRUCTURE, 12, 2004
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6WM5
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![BU of 6wm5 by Molmil](/molmil-images/mine/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
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![BU of 6wqx by Molmil](/molmil-images/mine/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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6X6O
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![BU of 6x6o by Molmil](/molmil-images/mine/6x6o) | Crystal structure of T4 protein Spackle as determined by native SAD phasing | Descriptor: | CHLORIDE ION, Protein spackle | Authors: | Shi, K, Kurniawan, F, Banerjee, S, Moeller, N.H, Aihara, H. | Deposit date: | 2020-05-28 | Release date: | 2020-09-16 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal structure of bacteriophage T4 Spackle as determined by native SAD phasing. Acta Crystallogr D Struct Biol, 76, 2020
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4QC9
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![BU of 4qc9 by Molmil](/molmil-images/mine/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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3S96
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![BU of 3s96 by Molmil](/molmil-images/mine/3s96) | Crystal structure of 3B5H10 | Descriptor: | 3B5H10 FAB heavy chain, 3B5H10 FAB light chain | Authors: | Weisgraber, K, Peters-Libeu, C, Rutenber, E, Newhouse, Y, Finkbeiner, S. | Deposit date: | 2011-05-31 | Release date: | 2012-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Disease-associated polyglutamine stretches in monomeric huntingtin adopt a compact structure. J.Mol.Biol., 421, 2012
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5ILO
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![BU of 5ilo by Molmil](/molmil-images/mine/5ilo) | Crystal structure of photoreceptor dehydrogenase from Drosophila melanogaster | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Photoreceptor dehydrogenase, isoform C | Authors: | Hofmann, L, Tsybovsky, Y, Banerjee, S. | Deposit date: | 2016-03-04 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural Insights into the Drosophila melanogaster Retinol Dehydrogenase, a Member of the Short-Chain Dehydrogenase/Reductase Family. Biochemistry, 55, 2016
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5TD5
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![BU of 5td5 by Molmil](/molmil-images/mine/5td5) | Crystal Structure of Human APOBEC3B variant complexed with ssDNA | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(P*TP*TP*CP*AP*T)-3'), ... | Authors: | Shi, K, Banerjee, S, Kurahashi, K, Aihara, H. | Deposit date: | 2016-09-16 | Release date: | 2016-12-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.718 Å) | Cite: | Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B. Nat. Struct. Mol. Biol., 24, 2017
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