6CVM
 
 | | Atomic resolution cryo-EM structure of beta-galactosidase | | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION, ... | | Authors: | Subramaniam, S, Bartesaghi, A, Banerjee, S, Zhu, X, Milne, J.L.S. | | Deposit date: | 2018-03-28 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | Atomic Resolution Cryo-EM Structure of beta-Galactosidase.
Structure, 26, 2018
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5I9N
 | | Crystal structure of B. pseudomallei FabI in complex with NAD and PT412 | | Descriptor: | 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2016-02-20 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.512 Å) | | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
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6FHE
 | | Highly active enzymes by automated modular backbone assembly and sequence design | | Descriptor: | Synthetic construct | | Authors: | Lapidot, G, Khersonsky, O, Lipsh, R, Dym, O, Albeck, S, Rogotner, S, Fleishman, J.S. | | Deposit date: | 2018-01-14 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Highly active enzymes by automated combinatorial backbone assembly and sequence design.
Nat Commun, 9, 2018
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3Q7D
 | | Structure of (R)-naproxen bound to mCOX-2. | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Marnett, L.J. | | Deposit date: | 2011-01-04 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
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7BGG
 | | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, heterocyclic toxin methyltransferase (Rv0560c) | | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | | Deposit date: | 2021-01-07 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
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5HBS
 | | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol at 0.89 angstrom. | | Descriptor: | RETINOL, Retinol-binding protein 1 | | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | | Deposit date: | 2016-01-02 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (0.89 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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5HA1
 | | Crystal structure of human cellular retinol binding protein 1 in complex with retinylamine | | Descriptor: | (2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine, Retinol-binding protein 1 | | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | | Deposit date: | 2015-12-29 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 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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5JXV
 | | Solid-state MAS NMR structure of immunoglobulin beta 1 binding domain of protein G (GB1) | | Descriptor: | Immunoglobulin G-binding protein G | | Authors: | Andreas, L.B, Jaudzems, K, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G. | | Deposit date: | 2016-05-13 | | Release date: | 2016-08-10 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5JZR
 | | Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles | | Descriptor: | Coat protein | | Authors: | Jaudzems, K, Andreas, L.B, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-08-10 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | Structure of fully protonated proteins by proton-detected magic-angle spinning NMR.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5I7E
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5K0Z
 | | Cryo-EM structure of lactate dehydrogenase (LDH) in inhibitor-bound state | | Descriptor: | L-lactate dehydrogenase B chain | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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6FFW
 | | Phosphotriesterase PTE_A53_5 | | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-01-09 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.495 Å) | | Cite: | Phosphotriesterase
PTE_A53_5
To Be Published
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6FHF
 | | Highly active enzymes by automated modular backbone assembly and sequence design | | Descriptor: | Design, SODIUM ION | | Authors: | Lapidot, G, Khersonsky, O, Lipsh, R, Dym, O, Albeck, S, Rogotner, S, Fleishman, J.S. | | Deposit date: | 2018-01-14 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Highly active enzymes by automated combinatorial backbone assembly and sequence design.
Nat Commun, 9, 2018
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6FHO
 | | Crystal structure of pqsL, a probable FAD-dependent monooxygenase from Pseudomonas aeruginosa - new refinement | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable FAD-dependent monooxygenase | | Authors: | Belviso, B.D, Drees, S.L, Ernst, S, Jagmann, N, Hennecke, U, Fetzner, S. | | Deposit date: | 2018-01-15 | | Release date: | 2018-04-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | PqsL uses reduced flavin to produce 2-hydroxylaminobenzoylacetate, a preferred PqsBC substrate in alkyl quinolone biosynthesis inPseudomonas aeruginosa.
J. Biol. Chem., 293, 2018
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5K11
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) in inhibitor-bound state | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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5K10
 | | Cryo-EM structure of isocitrate dehydrogenase (IDH1) | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Merk, A, Bartesaghi, A, Banerjee, S, Falconieri, V, Rao, P, Earl, L, Milne, J, Subramaniam, S. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Breaking Cryo-EM Resolution Barriers to Facilitate Drug Discovery.
Cell, 165, 2016
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6FQE
 | | Phosphotriesterase PTE_A53_4 | | Descriptor: | (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-14 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Phosphotriesterase
PTE_A53_4
To Be Published
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3RR3
 | | Structure of (R)-flurbiprofen bound to mCOX-2 | | Descriptor: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Duggan, K.C, Hermanson, D.J, Musee, J, Prusakiewicz, J.J, Scheib, J, Carter, B.D, Banerjee, S, Oates, J.A, Marnett, L.J. | | Deposit date: | 2011-04-28 | | Release date: | 2011-11-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.842 Å) | | Cite: | (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2.
Nat.Chem.Biol., 7, 2011
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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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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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6Q61
 | | Pore-modulating toxins exploit inherent slow inactivation to block K+ channels | | Descriptor: | Kunitz-type conkunitzin-S1, SULFATE ION | | Authors: | Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E. | | Deposit date: | 2018-12-10 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Pore-modulating toxins exploit inherent slow inactivation to block K+channels.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6D9Z
 | | Structure of CysZ, a sulfate permease from Pseudomonas Denitrificans | | Descriptor: | Sulfate transporter CysZ, octyl beta-D-glucopyranoside | | Authors: | Sanghai, Z.A, Clarke, O.B, Liu, Q, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F. | | Deposit date: | 2018-04-30 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.4021318 Å) | | Cite: | Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
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8R47
 | | AL amyloid fibril from the FOR010 light chain | | Descriptor: | lambda 3 immunoglobulin light chain fragment, residues 4-116 | | Authors: | Pfeiffer, P.B, Banerjee, S, Schmidt, M, Faendrich, M. | | Deposit date: | 2023-11-13 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.25 Å) | | Cite: | Light chain mutations contribute to defining the fibril morphology in systemic AL amyloidosis.
Nat Commun, 15, 2024
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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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6D79
 | | Structure of CysZ, a sulfate permease from Pseudomonas Fragi | | Descriptor: | Sulfate transporter CysZ | | Authors: | Sanghai, Z.A, Liu, Q, Clarke, O.B, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F. | | Deposit date: | 2018-04-24 | | Release date: | 2018-05-16 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
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