8I6D
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![BU of 8i6d by Molmil](/molmil-images/mine/8i6d) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form VI | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I64
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![BU of 8i64 by Molmil](/molmil-images/mine/8i64) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I68
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![BU of 8i68 by Molmil](/molmil-images/mine/8i68) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III | Descriptor: | 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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5IQ5
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![BU of 5iq5 by Molmil](/molmil-images/mine/5iq5) | NMR solution structure of Mayaro virus macro domain | Descriptor: | Macro domain | Authors: | Melekis, E, Tsika, A.C, Bentrop, D, Papageorgiou, N, Coutard, B, Spyroulias, G.A. | Deposit date: | 2016-03-10 | Release date: | 2017-12-20 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain. J.Mol.Biol., 431, 2019
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7MWW
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![BU of 7mww by Molmil](/molmil-images/mine/7mww) | Structure of hepatitis C virus envelope full-length glycoprotein 2 (eE2) from J6 genotype | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, ... | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | Deposit date: | 2021-05-17 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural insights into hepatitis C virus receptor binding and entry. Nature, 598, 2021
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5IUL
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![BU of 5iul by Molmil](/molmil-images/mine/5iul) | Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3 | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A. | Deposit date: | 2016-03-18 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.153 Å) | Cite: | Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife, 5, 2016
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5X7Q
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![BU of 5x7q by Molmil](/molmil-images/mine/5x7q) | Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with maltohexaose | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | Deposit date: | 2017-02-27 | Release date: | 2017-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch Biochem. J., 474, 2017
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8IC1
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![BU of 8ic1 by Molmil](/molmil-images/mine/8ic1) | endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides | Descriptor: | (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Li, J, Nakashima, C, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2023-02-10 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
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5IIR
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![BU of 5iir by Molmil](/molmil-images/mine/5iir) | |
7NMU
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![BU of 7nmu by Molmil](/molmil-images/mine/7nmu) | |
5IRG
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![BU of 5irg by Molmil](/molmil-images/mine/5irg) | |
6OAY
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![BU of 6oay by Molmil](/molmil-images/mine/6oay) | Structure of the hyperactive ClpB mutant K476C, bound to casein, post-state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-S1-casein, Hyperactive disaggregase ClpB, ... | Authors: | Rizo, A.R, Lin, J.-B, Gates, S.N, Tse, E, Bart, S.M, Castellano, L.M, Dimaio, F, Shorter, J, Southworth, D.R. | Deposit date: | 2019-03-18 | Release date: | 2019-06-12 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for substrate gripping and translocation by the ClpB AAA+ disaggregase. Nat Commun, 10, 2019
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6XEQ
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![BU of 6xeq by Molmil](/molmil-images/mine/6xeq) | Crystal structure of the tetrameric 6-phosphogluconate dehydrogenase from Gluconobacter oxidans | Descriptor: | 6-phosphogluconate dehydrogenase, SULFATE ION | Authors: | Maturana, P, Roversi, P, Castro-Fernandez, V, Herrera-Morande, A, Garratt, R.C, Cabrera, R. | Deposit date: | 2020-06-13 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the 6-phosphogluconate dehydrogenase from Gluconobacter oxydans reveals tetrameric 6PGDHs as the crucial intermediate in the evolution of structure and cofactor preference in the 6PGDH family [version 1; peer review: 1 approved, 1 approved with reservations] Wellcome Open Res, 6, 2021
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7NDY
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![BU of 7ndy by Molmil](/molmil-images/mine/7ndy) | Di-phosphorylated Barrier-to-Autointegration Factor (BAF) in complex with LEM domain of Emerin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Barrier-to-autointegration factor, N-terminally processed, ... | Authors: | Marcelot, A, Le Du, M.H, Hoffmann, G, Zinn-Justin, S. | Deposit date: | 2021-02-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Di-phosphorylated BAF shows altered structural dynamics and binding to DNA, but interacts with its nuclear envelope partners. Nucleic Acids Res., 49, 2021
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1KJ2
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![BU of 1kj2 by Molmil](/molmil-images/mine/1kj2) | Murine Alloreactive ScFv TCR-Peptide-MHC Class I Molecule Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Allogeneic H-2Kb MHC Class I Molecule, Beta-2 microglobulin, ... | Authors: | Reiser, J.-B, Gregoire, C, Darnault, C, Mosser, T, Guimezanes, A, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Mazza, G, Malissen, B, Housset, D. | Deposit date: | 2001-12-04 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A T cell receptor CDR3beta loop undergoes conformational changes of unprecedented magnitude upon binding to a peptide/MHC class I complex. Immunity, 16, 2002
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7NEJ
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![BU of 7nej by Molmil](/molmil-images/mine/7nej) | Solution structure of DNA:RNA hybrid duplex | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*AP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*UP*GP*UP*AP*G)-3') | Authors: | Cabrero, C, Martin-Pintado, N, Mazzini, S, Gargallo, R, Eritja, R, Avino, A, Gonzalez, C. | Deposit date: | 2021-02-04 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Effects of Incorporation of 2 -Deoxy-2 2 -difluorodeoxycytidine (Gemcitabine) in A- and B-form Duplexes. Chemistry, 2021
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7NE5
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![BU of 7ne5 by Molmil](/molmil-images/mine/7ne5) | catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans with modified hinge region | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I. | Deposit date: | 2021-02-03 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine. Biology (Basel), 10, 2021
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5WFL
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![BU of 5wfl by Molmil](/molmil-images/mine/5wfl) | Kelch domain of human Keap1 in open unliganded conformation | Descriptor: | Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-12 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
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7NBL
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![BU of 7nbl by Molmil](/molmil-images/mine/7nbl) | Solution structure of DNA:RNA hybrid containing a 2'-deoxy-2'2'-difluorodeoxycytidine (gemcitabine) modification | Descriptor: | DNA (5'-D(*CP*TP*AP*(FFC)P*AP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*UP*GP*UP*AP*G)-3') | Authors: | Cabrero, C, Martin-Pintado, N, Mazzini, S, Gargallo, R, Eritja, R, Avino, A, Gonzalez, C. | Deposit date: | 2021-01-27 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Effects of Incorporation of 2 -Deoxy-2 2 -difluorodeoxycytidine (Gemcitabine) in A- and B-form Duplexes. Chemistry, 2021
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7NBK
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![BU of 7nbk by Molmil](/molmil-images/mine/7nbk) | Solution structure of DNA duplex containing a 2'-deoxy-2'2'-difluorodeoxycytidine (gemcitabine) modification | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*(FFC)P*G)-3') | Authors: | Cabrero, C, Martin-Pintado, N, Mazzini, S, Gargallo, R, Eritja, R, Avino, A, Gonzalez, C. | Deposit date: | 2021-01-27 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Effects of Incorporation of 2 -Deoxy-2 2 -difluorodeoxycytidine (Gemcitabine) in A- and B-form Duplexes. Chemistry, 2021
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1KQS
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![BU of 1kqs by Molmil](/molmil-images/mine/1kqs) | The Haloarcula marismortui 50S Complexed with a Pretranslocational Intermediate in Protein Synthesis | Descriptor: | 23S RRNA, 5S RRNA, 6-AMINOHEXANOIC ACID, ... | Authors: | Schmeing, T.M, Seila, A.C, Hansen, J.L, Freeborn, B, Soukup, J.K, Scaringe, S.A, Strobel, S.A, Moore, P.B, Steitz, T.A. | Deposit date: | 2002-01-07 | Release date: | 2002-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A pre-translocational intermediate in protein synthesis observed in crystals of enzymatically active 50S subunits. Nat.Struct.Biol., 9, 2002
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6DZI
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![BU of 6dzi by Molmil](/molmil-images/mine/6dzi) | Cryo-EM Structure of Mycobacterium smegmatis 70S C(minus) ribosome 70S-MPY complex | Descriptor: | 16S rRNA, 23 S rRNA (3119-MER), 30S ribosomal protein S10, ... | Authors: | Sharma, M.R, Li, Y, Korripella, R, Yang, Y, Kaushal, P.S, Lin, Q, Wade, J.T, Gray, A.G, Derbyshire, K.M, Agrawal, R.K, Ojha, A. | Deposit date: | 2018-07-05 | Release date: | 2018-09-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Zinc depletion induces ribosome hibernation in mycobacteria. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6OOD
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![BU of 6ood by Molmil](/molmil-images/mine/6ood) | Structure of the pterocarpan synthase dirigent protein PsPTS1 | Descriptor: | pterocarpan synthase dirigent protein PsPTS1 | Authors: | Smith, C.A. | Deposit date: | 2019-04-23 | Release date: | 2020-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Pterocarpan synthase (PTS) structures suggest a common quinone methide-stabilizing function in dirigent proteins and proteins with dirigent-like domains. J.Biol.Chem., 295, 2020
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6X89
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![BU of 6x89 by Molmil](/molmil-images/mine/6x89) | Vigna radiata mitochondrial complex I* | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Letts, J.A, Maldonado, M, Padavannil, A, Zhou, L, Guo, F. | Deposit date: | 2020-06-01 | Release date: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Atomic structure of a mitochondrial complex I intermediate from vascular plants. Elife, 9, 2020
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1KX1
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![BU of 1kx1 by Molmil](/molmil-images/mine/1kx1) | Rat mannose protein A complexed with Man6-GlcNAc2-Asn | Descriptor: | CALCIUM ION, MANNOSE-BINDING PROTEIN A, alpha-D-mannopyranose, ... | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | Deposit date: | 2002-01-30 | Release date: | 2002-07-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition. J.Biol.Chem., 277, 2002
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