6JGP
 
 | | Crystal structure of barley exohydrolaseI W434H mutant in complex with methyl 6-thio-beta-gentiobioside. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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8SKL
 | | PTP1B in complex with 182 | | Descriptor: | 1,2-ETHANEDIOL, 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, CHLORIDE ION, ... | | Authors: | Babon, J.J, Chen, H, Tiganis, T. | | Deposit date: | 2023-04-20 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A small molecule inhibitor of PTP1B and PTPN2 enhances T cell anti-tumor immunity.
Nat Commun, 14, 2023
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6Q91
 | | Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide, Galactokinase, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2018-12-17 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
To Be Published
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6F7R
 | | AKR1B1 at 0.03 MGy radiation dose. | | Descriptor: | Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Castellvi, A, Juanhuix, J. | | Deposit date: | 2017-12-11 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
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6YC4
 | | Crystal structure of the steady-state activated state of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ... | | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
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7L3M
 | | PEPCK MMQX structure 40ms post-mixing with oxaloacetic acid | | Descriptor: | CARBON DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Clinger, J.A, Moreau, D.W, McLeod, M.J, Holyoak, T, Thorne, R.E. | | Deposit date: | 2020-12-18 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Millisecond mix-and-quench crystallography (MMQX) enables time-resolved studies of PEPCK with remote data collection.
Iucrj, 8, 2021
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6PXP
 | | Human Casein Kinase 1 delta Site 2 mutant (K171E) | | Descriptor: | Casein kinase I isoform delta, SULFATE ION | | Authors: | Yee, L, Philpott, J.M, Tripathi, S.M, Partch, C.L. | | Deposit date: | 2019-07-26 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch.
Elife, 9, 2020
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7Q6H
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6Q99
 | | Ande virus L protein N-terminus mutant K124A | | Descriptor: | GLYCEROL, MANGANESE (III) ION, RNA polymerase | | Authors: | Fernandez-Garcia, Y, Holm, T, Kirchmair, J, Wurr, S, Gunther, S, Reindl, S. | | Deposit date: | 2018-12-17 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.951 Å) | | Cite: | Specific inhibition of a diverse set of segmented negative strand viruses by a single molecule
To Be Published
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6JO0
 | | Crystal structure of the DTS-motif rhodopsin from Phaeocystis globosa virus 12T | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | | Authors: | Hosaka, T, Kimura-Someya, T, Shirouzu, M. | | Deposit date: | 2019-03-19 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | A distinct lineage of giant viruses brings a rhodopsin photosystem to unicellular marine predators.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8S9O
 | | DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form | | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-03-29 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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6CVL
 | | Crystal structure of the Escherichia coli ATPgS-bound MetNI methionine ABC transporter in complex with its MetQ binding protein | | Descriptor: | IODIDE ION, MERCURY (II) ION, MetI transmembrane subunit, ... | | Authors: | Nguyen, P.T, Kaiser, J.T, Rees, D.C. | | Deposit date: | 2018-03-28 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.953 Å) | | Cite: | Noncanonical role for the binding protein in substrate uptake by the MetNI methionine ATP Binding Cassette (ABC) transporter.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8SIU
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7QDT
 | | Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations. | | Descriptor: | 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha | | Authors: | Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J. | | Deposit date: | 2021-11-30 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone alpha.
Mol.Cell.Biol., 42, 2022
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7QUE
 | | The STK17A (DRAK1) Kinase Domain Bound to CKJB68 | | Descriptor: | Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide | | Authors: | Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S. | | Deposit date: | 2022-01-17 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.
J.Med.Chem., 65, 2022
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6CNQ
 | | MBD2 in complex with methylated DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | Authors: | Liu, K, Xu, C, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-08 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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7L1J
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8SOV
 | | Proteinase K Multiconformer Model at 353K | | Descriptor: | ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... | | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | | Deposit date: | 2023-04-30 | | Release date: | 2023-08-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.291 Å) | | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data.
Methods Enzymol., 688, 2023
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6Q9N
 | | Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone | | Descriptor: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A. | | Deposit date: | 2018-12-18 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
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6FAX
 | | Complex of Human CD40 Ectodomain with Lob 7.4 Fab | | Descriptor: | Lob 7.4 heavy chain, Lob 7.4 light chain, Tumor necrosis factor receptor superfamily member 5 | | Authors: | Orr, C.M, Tews, I, Pearson, A.R. | | Deposit date: | 2017-12-18 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Complex Interplay between Epitope Specificity and Isotype Dictates the Biological Activity of Anti-human CD40 Antibodies.
Cancer Cell, 33, 2018
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5VPW
 | | Nitrogenase Cp1 at pH 5 | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Morrison, C.N, Spatzal, T, Rees, D.C. | | Deposit date: | 2017-05-05 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Reversible Protonated Resting State of the Nitrogenase Active Site.
J. Am. Chem. Soc., 139, 2017
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7Q7I
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5VQE
 | | Beta-glucoside phosphorylase BglX bound to 2FGlc | | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucoside phosphorylase BglX | | Authors: | Patel, A, Mark, B.L. | | Deposit date: | 2017-05-08 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.889 Å) | | Cite: | Structural and mechanistic analysis of a beta-glycoside phosphorylase identified by screening a metagenomic library.
J. Biol. Chem., 293, 2018
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6CEP
 | | Sus scrofa heart L-lactate dehydrogenase ternary complex with NADH and oxamate | | Descriptor: | L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID | | Authors: | Hoffer, E.D, Andrews, B, Dunham, C.M, Dyer, R.B. | | Deposit date: | 2018-02-12 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
Medchemcomm, 9, 2018
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6Q9Z
 | | Crystal structure of the pathological G167R variant of calcium-free human gelsolin, | | Descriptor: | GLYCEROL, Gelsolin, SULFATE ION | | Authors: | Boni, F, Scalone, E, Milani, M, Eloise, M, de Rosa, M. | | Deposit date: | 2018-12-18 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
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