4XNR
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![BU of 4xnr by Molmil](/molmil-images/mine/4xnr) | Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch | Authors: | Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R. | Deposit date: | 2015-01-16 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Synthesis and applications of RNAs with position-selective labelling and mosaic composition. Nature, 522, 2015
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6RRN
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![BU of 6rrn by Molmil](/molmil-images/mine/6rrn) | GOLGI ALPHA-MANNOSIDASE II in complex with pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide | Descriptor: | (2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-~{N}-pentyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-20 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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5J8H
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![BU of 5j8h by Molmil](/molmil-images/mine/5j8h) | Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent kinase | Descriptor: | CALCIUM ION, Calmodulin, Eukaryotic elongation factor 2 kinase | Authors: | Alphonse, S, Lee, K, Piserchio, A, Tavares, C.D.J, Giles, D.H, Wellmann, R.M, Dalby, K.N, Ghose, R. | Deposit date: | 2016-04-07 | Release date: | 2016-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for the Recognition of Eukaryotic Elongation Factor 2 Kinase by Calmodulin. Structure, 24, 2016
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6S1F
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![BU of 6s1f by Molmil](/molmil-images/mine/6s1f) | Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide | Authors: | Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-06-18 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Design of 3,5-diaryl-2-aminopyridines as receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors To be published
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6UPH
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![BU of 6uph by Molmil](/molmil-images/mine/6uph) | Structure of a Yeast Centromeric Nucleosome at 2.7 Angstrom resolution | Descriptor: | DNA (119-MER), Histone H2A, Histone H2B.1, ... | Authors: | Migl, D, Kschonsak, M, Arthur, C.P, Khin, Y, Harrison, S.C, Ciferri, C, Dimitrova, Y.N. | Deposit date: | 2019-10-17 | Release date: | 2019-11-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryoelectron Microscopy Structure of a Yeast Centromeric Nucleosome at 2.7 angstrom Resolution. Structure, 28, 2020
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7B88
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![BU of 7b88 by Molmil](/molmil-images/mine/7b88) | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor | Descriptor: | 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics. J.Med.Chem., 64, 2021
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7AWD
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![BU of 7awd by Molmil](/molmil-images/mine/7awd) | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with garcinoic acid | Descriptor: | (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-06 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Endogenous vitamin E metabolites mediate allosteric PPAR gamma activation with unprecedented co-regulatory interactions. Cell Chem Biol, 28, 2021
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5MSY
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![BU of 5msy by Molmil](/molmil-images/mine/5msy) | Glycoside hydrolase BT_1012 | Descriptor: | AMMONIA, Glycoside hydrolase, PHOSPHATE ION | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2017-01-06 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5JEN
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![BU of 5jen by Molmil](/molmil-images/mine/5jen) | |
8C7G
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![BU of 8c7g by Molmil](/molmil-images/mine/8c7g) | Drosophila melanogaster Rab7 GEF complex Mon1-Ccz1-Bulli | Descriptor: | Caffeine, calcium, zinc sensitivity 1, ... | Authors: | Schaefer, J, Herrmann, E, Kuemmel, D, Moeller, A. | Deposit date: | 2023-01-15 | Release date: | 2023-05-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the metazoan Rab7 GEF complex Mon1-Ccz1-Bulli. Proc.Natl.Acad.Sci.USA, 120, 2023
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8H2C
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![BU of 8h2c by Molmil](/molmil-images/mine/8h2c) | Crystal structure of the pseudaminic acid synthase PseI from Campylobacter jejuni | Descriptor: | MANGANESE (II) ION, Pseudaminic acid synthase | Authors: | Song, W.S, Park, M.A, Ki, D.U, Yoon, S.I. | Deposit date: | 2022-10-05 | Release date: | 2022-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural analysis of the pseudaminic acid synthase PseI from Campylobacter jejuni. Biochem.Biophys.Res.Commun., 635, 2022
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5JDM
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![BU of 5jdm by Molmil](/molmil-images/mine/5jdm) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Sr2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15-PENTAOXAHEPTADECANE, PENTADECANE, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-04-17 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.558 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger. Nat.Struct.Mol.Biol., 23, 2016
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6RIR
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![BU of 6rir by Molmil](/molmil-images/mine/6rir) | Crystal structure of phosphorylated Rab8a in complex with the Rab-binding domain of RILPL2 | Descriptor: | GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Waschbusch, D, Purlyte, E, Alessi, D.R, Khan, A.R. | Deposit date: | 2019-04-25 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | Structural Basis for Rab8a Recruitment of RILPL2 via LRRK2 Phosphorylation of Switch 2. Structure, 28, 2020
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6MUR
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![BU of 6mur by Molmil](/molmil-images/mine/6mur) | Cryo-EM structure of Csm-crRNA-target RNA ternary complex in type III-A CRISPR-Cas system | Descriptor: | RNA (27-MER), RNA (5'-R(P*GP*CP*AP*AP*AP*CP*CP*GP*CP*CP*UP*CP*UP*GP*CP*CP*CP*GP*C)-3'), Uncharacterized protein, ... | Authors: | Jia, N, Wang, C, Eng, E.T, Patel, D.J. | Deposit date: | 2018-10-23 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Type III-A CRISPR-Cas Csm Complexes: Assembly, Periodic RNA Cleavage, DNase Activity Regulation, and Autoimmunity. Mol. Cell, 73, 2019
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6UON
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![BU of 6uon by Molmil](/molmil-images/mine/6uon) | |
4XS6
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![BU of 4xs6 by Molmil](/molmil-images/mine/4xs6) | Salmonella typhimurium AhpC W81F mutant | Descriptor: | Alkyl hydroperoxide reductase subunit C, POTASSIUM ION | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | Deposit date: | 2015-01-21 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
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6EV7
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![BU of 6ev7 by Molmil](/molmil-images/mine/6ev7) | Structure of E282D A. niger Fdc1 with prFMN in the iminium form | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | Authors: | Bailey, S.S, Leys, D, Payne, K.A.P. | Deposit date: | 2017-11-01 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis. J. Biol. Chem., 293, 2018
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5C1E
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![BU of 5c1e by Molmil](/molmil-images/mine/5c1e) | Crystal Structure of the Pectin Methylesterase from Aspergillus niger in Penultimately Deglycosylated Form (N-acetylglucosamine Stub at Asn84) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | Authors: | Jameson, G.B, Williams, M.A.K, Loo, T.S, Kent, L.M, Melton, L.D, Mercadante, D. | Deposit date: | 2015-06-13 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Properties of a Non-processive, Salt-requiring, and Acidophilic Pectin Methylesterase from Aspergillus niger Provide Insights into the Key Determinants of Processivity Control. J.Biol.Chem., 291, 2016
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5FRN
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![BU of 5frn by Molmil](/molmil-images/mine/5frn) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ419 (compound 4c) | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2015-12-18 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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5MEQ
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![BU of 5meq by Molmil](/molmil-images/mine/5meq) | Human Leukocyte Antigen A02 presenting ILAKFLHTL | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K. | Deposit date: | 2016-11-16 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase. J. Biol. Chem., 292, 2017
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5MQJ
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![BU of 5mqj by Molmil](/molmil-images/mine/5mqj) | Crystal structure of dCK mutant C3S | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ... | Authors: | Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | Deposit date: | 2016-12-20 | Release date: | 2017-11-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology. Nat Commun, 8, 2017
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7NAV
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![BU of 7nav by Molmil](/molmil-images/mine/7nav) | Bacterial 30S ribosomal subunit assembly complex state D (Consensus refinement) | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S. | Deposit date: | 2021-01-25 | Release date: | 2021-12-08 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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7NA7
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![BU of 7na7 by Molmil](/molmil-images/mine/7na7) | Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist | Descriptor: | Antibody fragment, CHOLESTEROL, Ghrelin-27, ... | Authors: | Liu, H, Sun, D, Sun, J, Zhang, C. | Deposit date: | 2021-06-20 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren Nat Commun, 12, 2021
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5MMF
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![BU of 5mmf by Molmil](/molmil-images/mine/5mmf) | Crystal Structure of CK2alpha with Compound 7 bound | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2016-12-09 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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6V05
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![BU of 6v05 by Molmil](/molmil-images/mine/6v05) | Cryo-EM structure of a substrate-engaged Bam complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Tomasek, D, Rawson, S, Lee, J, Wzorek, J.S, Harrison, S.C, Li, Z, Kahne, D. | Deposit date: | 2019-11-18 | Release date: | 2020-06-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of a nascent membrane protein as it folds on the BAM complex. Nature, 583, 2020
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