6MLA
 
 | | Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) D161A mutant from Salmonella typhimurium complexed with arginine | | Descriptor: | ACETATE ION, ARGININE, GLYCEROL, ... | | Authors: | Romero-Romero, S, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | | Deposit date: | 2018-09-27 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.582 Å) | | Cite: | The interplay of protein-ligand and water-mediated interactions shape affinity and selectivity in the LAO binding protein.
Febs J., 287, 2020
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7U2H
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, and deacylated E-site tRNAgly at 2.55A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S. | | Deposit date: | 2022-02-24 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
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6T3B
 | | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4) | | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | Deposit date: | 2019-10-10 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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6XD3
 | | Structure of the human CAK in complex with THZ1 | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E. | | Deposit date: | 2020-06-09 | | Release date: | 2020-09-09 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8CHY
 | | Crystal structure of an 8-repeat consensus TPR superhelix with Zinc. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | | Deposit date: | 2023-02-08 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
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3M4B
 | | A Zn-mediated tetrahedral protein lattice cage | | Descriptor: | ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ... | | Authors: | Tezcan, F.A, Ni, T.W. | | Deposit date: | 2010-03-10 | | Release date: | 2011-01-12 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural characterization of a microperoxidase inside a metal-directed protein cage.
Angew.Chem.Int.Ed.Engl., 49, 2010
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6T2E
 | | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm | | Authors: | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | | Deposit date: | 2019-10-08 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6T3Z
 | | Crystal structure of the truncated EBV BFRF1-BFLF2 nuclear egress complex | | Descriptor: | MALONATE ION, Nuclear egress protein 2,Nuclear egress protein 1 | | Authors: | Muller, Y.A. | | Deposit date: | 2019-10-11 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55862784 Å) | | Cite: | High-resolution crystal structures of two prototypical beta- and gamma-herpesviral nuclear egress complexes unravel the determinants of subfamily specificity.
J.Biol.Chem., 295, 2020
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6T36
 | | Crystal structure of the PTPN3 PDZ domain bound to the HBV core protein C-terminal peptide | | Descriptor: | BROMIDE ION, Capsid protein, Tyrosine-protein phosphatase non-receptor type 3 | | Authors: | Genera, M, Mechaly, A, Haouz, A, Caillet-Saguy, C. | | Deposit date: | 2019-10-10 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Molecular basis of the interaction of the human tyrosine phosphatase PTPN3 with the hepatitis B virus core protein.
Sci Rep, 11, 2021
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8HNI
 | | hnRNP A2/B1 RRMs in complex with telomeric DNA | | Descriptor: | DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3'), Heterogeneous nuclear ribonucleoproteins A2/B1 | | Authors: | Liu, Y, Abula, A, Xiao, H, Guo, H, Li, T, Zheng, L, Chen, B, Nguyen, H, Ji, X. | | Deposit date: | 2022-12-07 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.644 Å) | | Cite: | Structural Insight Into hnRNP A2/B1 Homodimerization and DNA Recognition.
J.Mol.Biol., 435, 2023
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6BBM
 | | Mechanisms of Opening and Closing of the Bacterial Replicative Helicase: The DnaB Helicase and Lambda P Helicase Loader Complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Replication protein P, Replicative DNA helicase | | Authors: | Chase, J, Catalano, A, Noble, A.J, Eng, E.T, Olinares, P.D.B, Molloy, K, Pakotiprapha, D, Samuels, M, Chain, B, des Georges, A, Jeruzalmi, D. | | Deposit date: | 2017-10-18 | | Release date: | 2019-03-06 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Mechanisms of opening and closing of the bacterial replicative helicase.
Elife, 7, 2018
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6FBF
 | | KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the fourth primer nucleotide. | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*CP*GP*GP*TP*GP*CP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*GP*CP*AP*(OH3)P*CP*GP*C)-3'), ... | | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | | Deposit date: | 2017-12-19 | | Release date: | 2018-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8P98
 | | BtuB3G3 bound to cyanocobalamin with ordered EL8 | | Descriptor: | CYANOCOBALAMIN, Putative surface layer protein, Vitamin B12 transporter BtuB | | Authors: | Silale, A, Abellon-Ruiz, J, van den Berg, B. | | Deposit date: | 2023-06-05 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides.
Nat Commun, 14, 2023
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6BAS
 | | Crystal structure of Thermus thermophilus Rod shape determining protein RodA D255A mutant (Q5SIX3_THET8) | | Descriptor: | CHLORIDE ION, Peptidoglycan glycosyltransferase RodA | | Authors: | Sjodt, M, Brock, K, Dobihal, G, Rohs, P.D.A, Green, A.G, Hopf, T.A, Meeske, A.J, Marks, D.S, Bernhardt, T.G, Rudner, D.Z, Kruse, A.C. | | Deposit date: | 2017-10-15 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.194 Å) | | Cite: | Structure of the peptidoglycan polymerase RodA resolved by evolutionary coupling analysis.
Nature, 556, 2018
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5K9G
 | | Crystal Structure of GTP Cyclohydrolase-IB with Tris | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | | Authors: | Alvarez, J, Stec, B, Swairjo, M.A. | | Deposit date: | 2016-05-31 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism and catalytic strategy of the prokaryotic-specific GTP cyclohydrolase-IB.
Biochem.J., 474, 2017
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3MSA
 | | Crystal structure of Thermolysin in complex with 3-Bromophenol | | Descriptor: | 3-bromophenol, CALCIUM ION, GLYCEROL, ... | | Authors: | Behnen, J, Heine, A, Klebe, G. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
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7Z68
 | | Pseudomonas aeruginosa Elastase in complex with a Thiol based inhibitor (R-and S-configured) | | Descriptor: | (2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide, CALCIUM ION, GLYCEROL, ... | | Authors: | Klein, A, Hirsch, A. | | Deposit date: | 2022-03-11 | | Release date: | 2023-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Dual inhibitors of Pseudomonas aeruginosa virulence factors LecA and LasB
To Be Published
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6XB2
 | | Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design | | Descriptor: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kneller, D.W, Kovalevsky, A, Coates, L. | | Deposit date: | 2020-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
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6FCQ
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5NB1
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4YPX
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5KBZ
 | | Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic | | Descriptor: | (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate, Noranthrone synthase | | Authors: | Tsai, S.C, Burkart, M.D, Townsend, C.A, Barajas, J.F, Shakya, G, Topper, C.L, Moreno, G, Jackson, D.R, Rivera, H, La Clair, J.J, Vagstad, A. | | Deposit date: | 2016-06-03 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8CH0
 | | Crystal structure of an 8-repeat consensus TPR superhelix with Gadolinium. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Consensus tetratricopeptide repeat protein, ... | | Authors: | Liutkus, M, Rojas, A.L, Cortajarena, A.L. | | Deposit date: | 2023-02-06 | | Release date: | 2024-02-21 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
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3M6X
 | | Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus in space group P21212 | | Descriptor: | CHLORIDE ION, rRNA methylase | | Authors: | Demirci, H, Larsen, H.G.L, Hansen, T, Rasmussen, A, Cadambi, A, Gregory, S.T, Kirpekar, F, Jogl, G. | | Deposit date: | 2010-03-16 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.676 Å) | | Cite: | Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus.
Rna, 16, 2010
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7TEV
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate | | Descriptor: | (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | Authors: | Butrin, A, Zhu, W, Silverman, R, Liu, D. | | Deposit date: | 2022-01-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
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