6H1F
 
 | | Structure of the nanobody-stabilized gelsolin D187N variant (second domain) | | Descriptor: | Gelsolin, THIOCYANATE ION, gelsolin nanobody, ... | | Authors: | Hassan, A, Milani, M, Mastrangelo, E, de Rosa, M. | | Deposit date: | 2018-07-11 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nanobody interaction unveils structure, dynamics and proteotoxicity of the Finnish-type amyloidogenic gelsolin variant.
Biochim Biophys Acta Mol Basis Dis, 1865, 2019
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6RF6
 | | Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.0 | | Descriptor: | EICOSANE, RETINAL, SODIUM ION, ... | | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | | Deposit date: | 2019-04-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
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6CKW
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile | | Descriptor: | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-03-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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8T6F
 | | Crystal structure of human MBP-Myeloid cell leukemia 1 (Mcl-1) in complex with BRD810 inhibitor | | Descriptor: | (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Poncet-Montange, G, Lemke, C.T. | | Deposit date: | 2023-06-15 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | BRD810 is a novel highly selective MCL1 inhibitor with optimized in vivo clearance and robust efficacy in solid and hematological tumor models
to be published
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5HWQ
 | | MvaS in complex with acetoacetyl coenzyme A | | Descriptor: | ACETOACETYL-COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ... | | Authors: | Bock, T, Kasten, J, Blankenfeldt, W. | | Deposit date: | 2016-01-29 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus.
Chembiochem, 17, 2016
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6RFA
 | | Crystal structure of the H30K mutant of the light-driven sodium pump KR2 in the monomeric form, pH 8.0 | | Descriptor: | EICOSANE, GLYCEROL, RETINAL, ... | | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | | Deposit date: | 2019-04-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
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6CL8
 | | 2.00 A MicroED structure of proteinase K at 2.6 e- / A^2 | | Descriptor: | Proteinase K | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | ELECTRON CRYSTALLOGRAPHY (2 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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5TDX
 | | Resurrected Ancestral Hydroxynitrile Lyase from Flowering Plants | | Descriptor: | Ancestral Hydroxynitrile Lyase 1, GLYCEROL | | Authors: | Jones, B.J, Evans, R, Wilmot, C.M, Kazlauskas, R.J. | | Deposit date: | 2016-09-20 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Larger active site in an ancestral hydroxynitrile lyase increases catalytically promiscuous esterase activity.
Plos One, 15, 2020
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6H1U
 | | GlnH bound to Asp, Mycobacterium tuberculosis | | Descriptor: | ASPARTIC ACID, Probable glutamine-binding lipoprotein GlnH (GLNBP) | | Authors: | O'Hare, H.M, Wallis, R, Lin, L.Y, Newland-Smith, Z. | | Deposit date: | 2018-07-12 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | An Aspartate-Specific Solute-Binding Protein Regulates Protein Kinase G Activity To Control Glutamate Metabolism in Mycobacteria.
MBio, 9, 2018
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6IBU
 | | Apo Crh5 transglycosylase | | Descriptor: | GLYCEROL, Probable glycosidase crf1 | | Authors: | Bartual, S.G, Fang, W, van Aalten, D.M.F. | | Deposit date: | 2018-11-30 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
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6IDE
 | | Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design | | Descriptor: | 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ... | | Authors: | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | | Deposit date: | 2018-09-09 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design.
J. Biol. Chem., 294, 2019
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8TU3
 | | Bruton's tyrosine kinase in complex with covalent inhibitor compound 10 | | Descriptor: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK | | Authors: | Metrick, C.M. | | Deposit date: | 2023-08-15 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
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5HY1
 | | high resolution structure of barbiturase | | Descriptor: | 1,3,5-triazine-2,4,6-triol, Barbiturase, CHLORIDE ION, ... | | Authors: | Peat, T.S, Scott, C, Balotra, S, Wilding, M, Newman, J. | | Deposit date: | 2016-02-01 | | Release date: | 2017-02-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
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6REZ
 | | Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 5.0 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ... | | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | | Deposit date: | 2019-04-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
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6CCO
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8T7P
 | | X-ray crystal structure of PfA-M1(M462S) | | Descriptor: | Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Yang, W, Drinkwater, N, Webb, C.T, McGowan, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
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6RF7
 | | Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.9 | | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | | Deposit date: | 2019-04-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
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6RFB
 | | Crystal structure of the potassium-pumping S254A mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.3 | | Descriptor: | EICOSANE, GLYCEROL, RETINAL, ... | | Authors: | Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V. | | Deposit date: | 2019-04-12 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
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6RFJ
 | | IRAK4 IN COMPLEX WITH inhibitor | | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate | | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | Deposit date: | 2019-04-15 | | Release date: | 2019-10-30 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
J.Med.Chem., 62, 2019
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6CD6
 | | Crystal Structure of the Human CAMKK1A in complex with GSK650394 | | Descriptor: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 1 | | Authors: | Santiago, A.S, Counago, R.M, Righetto, G.L, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-08 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of the Human CAMKK1A in complex with GSK650394
To be Published
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6H2X
 | | MukB coiled-coil elbow from E. coli | | Descriptor: | Chromosome partition protein MukB,Chromosome partition protein MukB | | Authors: | Buermann, F, Lowe, J. | | Deposit date: | 2018-07-16 | | Release date: | 2019-03-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A folded conformation of MukBEF and cohesin.
Nat.Struct.Mol.Biol., 26, 2019
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5HUB
 | | High-resolution structure of chorismate mutase from Corynebacterium glutamicum | | Descriptor: | Chorismate mutase, FORMIC ACID | | Authors: | Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U. | | Deposit date: | 2016-01-27 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
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6H49
 | | A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature. | | Descriptor: | Orf20, SULFATE ION | | Authors: | Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A. | | Deposit date: | 2018-07-20 | | Release date: | 2019-08-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature.
Nat Commun, 10, 2019
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6CDG
 | | GID4 fragment in complex with a peptide | | Descriptor: | Glucose-induced degradation protein 4 homolog, Hexapeptide PGLWKS, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-08 | | Release date: | 2018-03-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
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8TDD
 | | Structure of PYCR1 complexed with NADH and 2-(furan-2-yl)acetic acid | | Descriptor: | (furan-2-yl)acetic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ... | | Authors: | Tanner, J.J, Meeks, K.R. | | Deposit date: | 2023-07-02 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
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