4QF1
| Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ... | Authors: | Wiehe, K, Easterhoff, D, Luo, K, Nicely, N.I, Bradley, T, Jaeger, F.H, Dennison, S.M, Zhang, R, Lloyd, K.E, Stolarchuk, C, Parks, R, Sutherland, L.L, Scearce, R.M, Morris, L, Kaewkungwal, J, Nitayaphan, S, Pitisuttithum, P, Rerks-Ngarm, S, Michael, N, Kim, J, Kelsoe, G, Montefiori, D.C, Tomaras, G, Bonsignori, M, Santra, S, Kepler, T.B, Alam, S.M, Moody, M.A, Liao, H.-X, Haynes, B.F. | Deposit date: | 2014-05-19 | Release date: | 2015-02-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved. Immunity, 41, 2014
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5T71
| Human carboanhydrase F131C_C206S double mutant in complex with SA-2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-diazenyl]benzene-1-sulfonamide, ... | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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7QJQ
| Crystal structure of a cutinase enzyme from Thermobifida fusca NTU22 (702) | Descriptor: | Acetylxylan esterase, DI(HYDROXYETHYL)ETHER | Authors: | Zahn, M, Gill, R.S, Avilan, L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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5T74
| Human carboanhydrase F131C_C206S double mutant in complex with 14 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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7OC1
| Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. | Deposit date: | 2021-04-25 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics. Chemmedchem, 16, 2021
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7OC0
| Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid | Descriptor: | (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... | Authors: | Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. | Deposit date: | 2021-04-25 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics. Chemmedchem, 16, 2021
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5T75
| Human carbonic anhydrase II G132C_C206S double mutant in complex with SA-2 | Descriptor: | 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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5T72
| Human carboanhydrase F131C_C206S double mutant in complex with 2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, ... | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | Deposit date: | 2016-09-02 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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7QJR
| Crystal structure of cutinase 1 from Thermobifida fusca DSM44342 (703) | Descriptor: | Cutinase 1, TETRAETHYLENE GLYCOL | Authors: | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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7QJP
| Crystal structure of a cutinase enzyme from Saccharopolyspora flava (611) | Descriptor: | Cutinase, TETRAETHYLENE GLYCOL | Authors: | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.561 Å) | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity Nat Commun, 13, 2022
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1PPA
| THE CRYSTAL STRUCTURE OF A LYSINE 49 PHOSPHOLIPASE A2 FROM THE VENOM OF THE COTTONMOUTH SNAKE AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | ANILINE, PHOSPHOLIPASE A2 | Authors: | Holland, D.R, Clancy, L.L, Muchmore, S.W, Rydel, T.J, Einspahr, H.M, Finzel, B.C, Heinrikson, R.L, Watenpaugh, K.D. | Deposit date: | 1991-10-29 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of a lysine 49 phospholipase A2 from the venom of the cottonmouth snake at 2.0-A resolution. J.Biol.Chem., 265, 1990
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6LKQ
| The Structural Basis for Inhibition of Ribosomal Translocation by Viomycin | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Zhang, L, Wang, Y.H, Lancaster, L, Zhou, J, Noller, H.F. | Deposit date: | 2019-12-20 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The structural basis for inhibition of ribosomal translocation by viomycin. Proc.Natl.Acad.Sci.USA, 117, 2020
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8QM1
| wild type Pa.FabF in complex cerulenin | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | Deposit date: | 2023-09-21 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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2IRT
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2GWS
| Crystal Structure of human DNA Polymerase lambda with a G/G mismatch in the primer terminus | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*GP*GP*CP*AP*GP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*G)-3', ... | Authors: | Garcia-Diaz, M, Picher, A.J, Bebenek, K, Pedersen, L.C, Kunkel, T.A, Blanco, L. | Deposit date: | 2006-05-05 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Promiscuous mismatch extension by human DNA polymerase lambda. Nucleic Acids Res., 34, 2006
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7TGP
| E176T/Y188G variant of the internal UBA Domain of HHR23A | Descriptor: | UV excision repair protein RAD23 homolog A | Authors: | Rothfuss, M, Bowler, B.E, McClelland, L.J, Sprang, S.R. | Deposit date: | 2022-01-08 | Release date: | 2023-04-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST. J.Am.Chem.Soc., 145, 2023
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8PFZ
| Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid | Descriptor: | (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, ... | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | Deposit date: | 2023-06-17 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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8PD1
| Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | Deposit date: | 2023-06-11 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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2PZS
| Phi29 DNA polymerase complexed with primer-template DNA (post-translocation binary complex) | Descriptor: | 5'-d(CTAACACGTAAGCAGTC)-3', 5'-d(GACTGCTTAC)-3', DNA polymerase | Authors: | Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | Deposit date: | 2007-05-18 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases Embo J., 26, 2007
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8PJ0
| Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | Deposit date: | 2023-06-22 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection. Rsc Med Chem, 15, 2024
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2PYL
| Phi29 DNA polymerase complexed with primer-template DNA and incoming nucleotide substrates (ternary complex) | Descriptor: | 1,2-ETHANEDIOL, 5'-d(CTGACGAATGTACA)-3', 5'-d(GACTGCTTAC(2DA))-3', ... | Authors: | Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | Deposit date: | 2007-05-16 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases Embo J., 26, 2007
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2PY5
| Phi29 DNA polymerase complexed with single-stranded DNA | Descriptor: | 1,2-ETHANEDIOL, 5'-d(GGACTTT)-3', DNA polymerase | Authors: | Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | Deposit date: | 2007-05-15 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases Embo J., 26, 2007
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2PYJ
| Phi29 DNA polymerase complexed with primer-template DNA and incoming nucleotide substrates (ternary complex) | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-d(ACACGTAAGCAGTC)-3', ... | Authors: | Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | Deposit date: | 2007-05-16 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases Embo J., 26, 2007
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1FTD
| 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, [3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-2-YL}-PHENOXY)-PROPYL]-DIMETHYL-AMINE | Authors: | Mann, J, Baron, A, Opoku-Boahen, Y, Johansson, E, Parkinson, G, Kelland, L.R, Neidle, S. | Deposit date: | 2000-09-12 | Release date: | 2001-02-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new class of symmetric bisbenzimidazole-based DNA minor groove-binding agents showing antitumor activity. J.Med.Chem., 44, 2001
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7QLA
| Structure of the Rab GEF complex Mon1-Ccz1 | Descriptor: | Ccz1, Vacuolar fusion protein MON1 | Authors: | Klink, B.U, Herrmann, E, Antoni, C, Langemeyer, L, Kiontke, S, Gatsogiannis, C, Ungermann, C, Raunser, S, Kuemmel, D. | Deposit date: | 2021-12-20 | Release date: | 2022-02-09 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Structure of the Mon1-Ccz1 complex reveals molecular basis of membrane binding for Rab7 activation. Proc.Natl.Acad.Sci.USA, 119, 2022
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