6ZYF
 
 | | Notum_Ghrelin complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2020-07-31 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Notum deacylates octanoylated ghrelin.
Mol Metab, 49, 2021
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7A6P
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3K77
 | | X-ray crystal structure of XRCC1 | | Descriptor: | DNA repair protein XRCC1 | | Authors: | Cuneo, M.J, London, R.E. | | Deposit date: | 2009-10-12 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | Oxidation state of the XRCC1 N-terminal domain regulates DNA polymerase beta binding affinity.
Proc.Natl.Acad.Sci.USA, 107, 2010
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7ADV
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ447 (compound 6v) | | Descriptor: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Pye, V.E, Cherepanov, P. | | Deposit date: | 2020-09-16 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants.
Acs Infect Dis., 7, 2021
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8RHN
 | | Structure of the 55LCC ATPase complex | | Descriptor: | ATPase family gene 2 protein homolog A, ATPase family gene 2 protein homolog B, Cyclin-dependent kinase 2-interacting protein, ... | | Authors: | Foglizzo, M, Degtjarik, O, Zeqiraj, E. | | Deposit date: | 2023-12-15 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024
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5IFJ
 | | Crystal structure of anti-gliadin 1002-1E01 Fab fragment in complex of peptide PLQPEQPFP | | Descriptor: | 1E01 Fab fragment heavy chain, 1E01 Fab fragment light chain, SULFATE ION, ... | | Authors: | Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M. | | Deposit date: | 2016-02-26 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
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8DEI
 | | Structure of the Cac1 KER domain | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Maltodextrin-binding protein,Chromatin assembly factor 1 subunit p90 fusion, ... | | Authors: | Rosas, R, Churchill, M.E.A. | | Deposit date: | 2022-06-20 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | A novel single alpha-helix DNA-binding domain in CAF-1 promotes gene silencing and DNA damage survival through tetrasome-length DNA selectivity and spacer function.
Elife, 12, 2023
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7ACK
 | | CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ... | | Authors: | Skerlova, J, Pachl, P, Rezacova, P. | | Deposit date: | 2020-09-11 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
Eur.J.Med.Chem., 216, 2021
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7ADU
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5IH8
 | | MELK in complex with NVS-MELK1 | | Descriptor: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | | Authors: | Sprague, E.R, Puleo, D.E. | | Deposit date: | 2016-02-29 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
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2BST
 | | Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-27 ALPHA CHAIN PRECURSOR, ... | | Authors: | Stewart-Jones, G.B.E, diGleria, K, Kollnberger, S, McMichael, A.J, Bowness, P, Jones, E.Y. | | Deposit date: | 2005-05-23 | | Release date: | 2005-05-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures and Kir3Dl1 Recognition of Three Immunodominant Viral Peptides Complexed to Hla-B2705
Eur.J.Immunol., 35, 2005
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8DFZ
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5LP3
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2C60
 | | crystal structure of human mitogen-activated protein kinase kinase kinase 3 isoform 2 phox domain at 1.25 A resolution | | Descriptor: | CALCIUM ION, GLYCEROL, HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 3 ISOFORM 2 | | Authors: | Debreczeni, J.E, Salah, E, Papagrigoriou, E, Burgess, N, von Delft, F, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Knapp, S. | | Deposit date: | 2005-11-04 | | Release date: | 2005-11-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase Kinase 3 Isoform 2 Fox Domain at 1.25 A Resolution
To be Published
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4A2F
 | | Coriolopsis gallica laccase collected at 12.65 keV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, LACCASE | | Authors: | De la Mora, E, Rudino-Pinera, E. | | Deposit date: | 2011-09-26 | | Release date: | 2012-04-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Changes Caused by Radiation-Induced Reduction and Radiolysis: The Effect of X-Ray Absorbed Dose in a Fungal Multicopper Oxidase
Acta Crystallogr.,Sect.D, 68, 2012
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7A10
 | | LppS with covalent adduct derived from 1g | | Descriptor: | 4-methoxycyclohexa-2,5-diene-1-thione, L,D-transpeptidase 2 | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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5WW0
 | | Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe | | Descriptor: | SET domain-containing protein 7, SULFATE ION | | Authors: | Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E. | | Deposit date: | 2016-12-30 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis.
Structure, 27, 2019
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1C2R
 | | MOLECULAR STRUCTURE OF CYTOCHROME C2 ISOLATED FROM RHODOBACTER CAPSULATUS DETERMINED AT 2.5 ANGSTROMS RESOLUTION | | Descriptor: | CYTOCHROME C2, HEME C | | Authors: | Benning, M.M, Wesenberg, G, Caffrey, M.S, Bartsch, R.G, Meyer, T.E, Cusanovich, M.A, Rayment, I, Holden, H.M. | | Deposit date: | 1991-03-19 | | Release date: | 1992-01-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular structure of cytochrome c2 isolated from Rhodobacter capsulatus determined at 2.5 A resolution.
J.Mol.Biol., 220, 1991
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7A1E
 | | LppS with covalent adduct derived from 1c | | Descriptor: | ACETATE ION, L,D-transpeptidase 2, phenylmethanethiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-12 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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7A0Z
 | | LppS with covalent adduct derived from 1b | | Descriptor: | L,D-transpeptidase 2, TRIS(HYDROXYETHYL)AMINOMETHANE, benzenethiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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8Q8H
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7A11
 | | LppS with covalent adduct derived from 1E | | Descriptor: | ACETATE ION, L,D-transpeptidase 2, propane-1-thiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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8QQG
 | | Structure of BRAF in Complex With Exarafenib (KIN-2787). | | Descriptor: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | | Authors: | Schmitt, A, Costanzi, E, Kania, R, Chen, Y.K. | | Deposit date: | 2023-10-04 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.979 Å) | | Cite: | Structure of BRAF in Complex With Exarafenib (KIN-2787).
To Be Published
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7A1C
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2C7U
 | | Conflicting selective forces affect CD8 T-cell receptor contact sites in an HLA-A2 immunodominant HIV epitope. | | Descriptor: | BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Iversen, A.K, Stewart-Jones, G, Learn, G.H, Christie, N, Sylvester-Hviid, C, Armitage, A.E, Kaul, R, Beattie, T, Lee, J.K, Li, Y, Chotiyarnwong, P, Dong, T, Xu, X, Luscher, M.A, MacDonald, K, Ullum, H, Klarlund-Pedersen, B, Skinhoj, P, Fugger, J.L, Buus, S, Mullins, J.I, Jones, E.Y, van der Merwe, P.A, McMichael, A.J. | | Deposit date: | 2005-11-29 | | Release date: | 2006-03-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Conflicting Selective Forces Affect T Cell Receptor Contacts in an Immunodominant Human Immunodeficiency Virus Epitope.
Nat.Immunol., 7, 2006
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