5M3F
 
 | | Yeast RNA polymerase I elongation complex at 3.8A | | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | | Authors: | Neyer, S, Kunz, M, Geiss, C, Hantsche, M, Hodirnau, V.-V, Seybert, A, Engel, C, Scheffer, M.P, Cramer, P, Frangakis, A.S. | | Deposit date: | 2016-10-14 | | Release date: | 2016-11-23 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of RNA polymerase I transcribing ribosomal DNA genes.
Nature, 540, 2016
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5J86
 | | Crystal Structure of Hsp90-alpha N-domain in complex with 2,4-Dihydroxy-N-methyl-5-(5-oxo-4-o-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-N-thiophen-2-ylmethyl-benzamide | | Descriptor: | 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide, Heat shock protein HSP 90-alpha | | Authors: | Amaral, M, Matias, P. | | Deposit date: | 2016-04-07 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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5X9M
 | | Structure of hyper-sweet thaumatin (D21N) | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Masuda, T, Okubo, K, Sugahara, M, Suzuki, M, Mikami, B. | | Deposit date: | 2017-03-08 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Subatomic structure of hyper-sweet thaumatin D21N mutant reveals the importance of flexible conformations for enhanced sweetness.
Biochimie, 157, 2019
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7C3J
 | | Structure of L-lysine oxidase D212A/D315A in complex with L-phenylalanine | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-lysine oxidase, ... | | Authors: | Kitagawa, M, Matsumoto, Y, Inagaki, K, Imada, K. | | Deposit date: | 2020-05-12 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of strict substrate recognition of l-lysine alpha-oxidase from Trichoderma viride.
Protein Sci., 29, 2020
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6DQ2
 | | Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif mutant S60 | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | | Deposit date: | 2018-06-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.158 Å) | | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
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5JHR
 | | Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 27 | | Descriptor: | (2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2016-04-21 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
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7DOO
 | | Crystal Structure of PenA beta-Lactamase-Avibactam Complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Nukaga, M, Papp-Wallace, K.M, Bonomo, R.A. | | Deposit date: | 2020-12-15 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Overcoming an Extremely Drug Resistant (XDR) Pathogen: Avibactam Restores Susceptibility to Ceftazidime for Burkholderia cepacia Complex Isolates from Cystic Fibrosis Patients.
Acs Infect Dis., 3, 2017
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7DAW
 | | Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase | | Descriptor: | Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, SULFATE ION | | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | | Deposit date: | 2020-10-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
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5FDG
 | | Endonuclease inhibitor 3 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0 | | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Fudo, S, Yamamoto, N, Nukaga, M, Odagiri, T, Tashiro, M, Hoshino, T. | | Deposit date: | 2015-12-16 | | Release date: | 2015-12-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Two Distinctive Binding Modes of Endonuclease Inhibitors to the N-Terminal Region of Influenza Virus Polymerase Acidic Subunit
Biochemistry, 55, 2016
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1IU2
 | | The first PDZ domain of PSD-95 | | Descriptor: | PSD-95 | | Authors: | Long, J.-F, Tochio, H, Wang, P, Sala, C, Niethammer, M, Sheng, M, Zhang, M. | | Deposit date: | 2002-02-19 | | Release date: | 2003-03-11 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Supramodular structure and synergistic target binding of the N-terminal tandem PDZ domains of PSD-95
J.MOL.BIOL., 327, 2003
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6S9S
 | | Dimerization domain of Xenopus laevis LDB1 in complex with darpin 10 | | Descriptor: | Darpin 10, LIM domain-binding protein 1 | | Authors: | Renko, M, Schaefer, J.V, Pluckthun, A, Bienz, M. | | Deposit date: | 2019-07-15 | | Release date: | 2019-10-09 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6SAJ
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12) | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Authors: | Huegle, M. | | Deposit date: | 2019-07-16 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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5IXS
 | | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | | Descriptor: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2016-03-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
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4PPF
 | | Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-N | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-02-26 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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5FOU
 | | HUMANISED MONOMERIC RADA IN COMPLEX WITH FHPA TETRAPEPTIDE | | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHPA PEPTIDE, PHOSPHATE ION | | Authors: | Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | | Deposit date: | 2015-11-26 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
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5JLV
 | | Receptor binding domain of Botulinum neurotoxin A in complex with human glycosylated SV2C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
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5J7M
 | | Crystal structure of Cupin 2 conserved barrel domain protein from Kribbella flavida DSM 17836 | | Descriptor: | ACETATE ION, Cupin 2 conserved barrel domain protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chang, C, Cuff, M, Chhor, G, Endres, M, Joachimiak, A. | | Deposit date: | 2016-04-06 | | Release date: | 2016-04-27 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of Cupin 2 conserved barrel domain protein from Kribbella flavida DSM 17836
To Be Published
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5FVD
 | | Human metapneumovirus N0-P complex | | Descriptor: | CHLORIDE ION, NUCLEOCAPSID, PHOSPHOPROTEIN | | Authors: | Renner, M, Bertinelli, M, Leyrat, C, Paesen, G.C, Saraiva de Oliveira, L.F, Huiskonen, J.T, Grimes, J.M. | | Deposit date: | 2016-02-05 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Nucleocapsid assembly in pneumoviruses is regulated by conformational switching of the N protein.
Elife, 5, 2016
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5X6B
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7DB8
 | | Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845 | | Descriptor: | N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ... | | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | | Deposit date: | 2020-10-19 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
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6SDZ
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5XCZ
 | | Structure of the cellobiohydrolase Cel6A from Phanerochaete chrysosporium in complex with cellobiose at 2.1 angstrom | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glucanase, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Tachioka, M, Nakamura, A, Ishida, T, Igarashi, K, Samejima, M. | | Deposit date: | 2017-03-24 | | Release date: | 2017-07-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a family 6 cellobiohydrolase from the basidiomycete Phanerochaete chrysosporium
Acta Crystallogr F Struct Biol Commun, 73, 2017
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6MH9
 | | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein A121I mutant to 2.02 Angstrom resolution | | Descriptor: | Fatty Acid Kinase (Fak) B1 protein, PALMITIC ACID | | Authors: | Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O. | | Deposit date: | 2018-09-17 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
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5JFG
 | | Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ... | | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2016-04-19 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Humanisation of RadA from Pyrococcus furiosus
To Be Published
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2Q9N
 | | 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | | Descriptor: | (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | | Deposit date: | 2007-06-13 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity
J.Med.Chem., 50, 2007
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