7ZVX
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![BU of 7zvx by Molmil](/molmil-images/mine/7zvx) | Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 2.4 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, ... | Authors: | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | Deposit date: | 2022-05-17 | Release date: | 2022-09-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding. Nucleic Acids Res., 51, 2023
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7ZVN
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![BU of 7zvn by Molmil](/molmil-images/mine/7zvn) | Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution | Descriptor: | 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ... | Authors: | Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M. | Deposit date: | 2022-05-16 | Release date: | 2022-09-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding. Nucleic Acids Res., 51, 2023
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7QT7
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![BU of 7qt7 by Molmil](/molmil-images/mine/7qt7) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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5I6C
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![BU of 5i6c by Molmil](/molmil-images/mine/5i6c) | The structure of the eukaryotic purine/H+ symporter, UapA, in complex with Xanthine | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Uric acid-xanthine permease, XANTHINE | Authors: | Alguel, Y, Amillis, S, Leung, J, Lambrinidis, G, Capaldi, S, Scull, N.J, Craven, G, Iwata, S, Armstrong, A, Mikros, E, Diallinas, G, Cameron, A.D, Byrne, B. | Deposit date: | 2016-02-16 | Release date: | 2016-04-27 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structure of eukaryotic purine/H(+) symporter UapA suggests a role for homodimerization in transport activity. Nat Commun, 7, 2016
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8A10
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![BU of 8a10 by Molmil](/molmil-images/mine/8a10) | Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143 | Descriptor: | T-box transcription factor T, UNKNOWN LIGAND | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | Deposit date: | 2022-05-30 | Release date: | 2022-07-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143 To Be Published
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8FAU
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![BU of 8fau by Molmil](/molmil-images/mine/8fau) | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with 4-phenylthiazole-2(3H)-thione | Descriptor: | 4-phenyl-1,3-thiazole-2(3H)-thione, Carbonic anhydrase 2, SULFATE ION, ... | Authors: | Kohlbrand, A.J, Seo, H. | Deposit date: | 2022-11-28 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs. Chem.Commun.(Camb.), 59, 2023
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8CZT
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![BU of 8czt by Molmil](/molmil-images/mine/8czt) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 15d | Descriptor: | 3C-like proteinase, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-05-25 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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8SVC
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![BU of 8svc by Molmil](/molmil-images/mine/8svc) | Crystal Structure of SBP from Klebsiella pneumoniae | Descriptor: | Metal ABC transporter substrate-binding protein, SULFATE ION, ZINC ION | Authors: | Giles, M.W, Cole, G.B, Ng, D, McDevitt, C.A, Moraes, T.F. | Deposit date: | 2023-05-16 | Release date: | 2024-01-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Zinc acquisition and its contribution to Klebsiella pneumoniae virulence. Front Cell Infect Microbiol, 13, 2023
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5W7Q
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![BU of 5w7q by Molmil](/molmil-images/mine/5w7q) | |
5I7C
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![BU of 5i7c by Molmil](/molmil-images/mine/5i7c) | Centrosomin-motif 2 (CM2) domain of Drosophila melanogaster Centrosomin (Cnn) | Descriptor: | Centrosomin, ZINC ION | Authors: | Feng, Z, Cottee, M.A, Johnson, S, Lea, S.M. | Deposit date: | 2016-02-17 | Release date: | 2017-03-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Structural Basis for Mitotic Centrosome Assembly in Flies. Cell, 169, 2017
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8PVC
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![BU of 8pvc by Molmil](/molmil-images/mine/8pvc) | Structure of mouse heavy-chain apoferritin determined by cryoEM at 100 keV | Descriptor: | FE (III) ION, Ferritin heavy chain, ZINC ION | Authors: | McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J. | Deposit date: | 2023-07-17 | Release date: | 2023-11-29 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure determination by cryoEM at 100 keV. Proc.Natl.Acad.Sci.USA, 120, 2023
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6QO0
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![BU of 6qo0 by Molmil](/molmil-images/mine/6qo0) | |
8T1N
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![BU of 8t1n by Molmil](/molmil-images/mine/8t1n) | Micro-ED Structure of a Novel Domain of Unknown Function Solved with AlphaFold | Descriptor: | DUF1842 domain-containing protein | Authors: | Miller, J.E, Cascio, D, Sawaya, M.R, Cannon, K.A, Rodriguez, J.A, Yeates, T.O. | Deposit date: | 2023-06-02 | Release date: | 2024-01-17 | Last modified: | 2024-04-10 | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | Cite: | AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography. Acta Crystallogr D Struct Biol, 80, 2024
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7ZJF
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![BU of 7zjf by Molmil](/molmil-images/mine/7zjf) | R399E, a mutated form of GDF5, for disease modification of osteoarthritis | Descriptor: | Growth/differentiation factor 5 | Authors: | Gigout, A, Wekmann, D, Menges, S, Brenneis, C, Henson, F, Cowan, K.J, Musil, D, Thudium, C, Guehring, H, Michaelis, M, Kleinschmidt-Doerr, K. | Deposit date: | 2022-04-10 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | R399E, A Mutated Form of Growth and Differentiation Factor 5, for Disease Modification of Osteoarthritis. Arthritis Rheumatol, 75, 2023
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6U4S
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![BU of 6u4s by Molmil](/molmil-images/mine/6u4s) | wild type cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (III) ION | Authors: | Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L. | Deposit date: | 2019-08-26 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase. Biochemistry, 59, 2020
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8PVD
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![BU of 8pvd by Molmil](/molmil-images/mine/8pvd) | Structure of catalase determined by cryoEM at 100 keV | Descriptor: | Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J. | Deposit date: | 2023-07-17 | Release date: | 2023-11-29 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure determination by cryoEM at 100 keV. Proc.Natl.Acad.Sci.USA, 120, 2023
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6U4X
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![BU of 6u4x by Molmil](/molmil-images/mine/6u4x) | Crystal structure of Equine Serum Albumin complex with ibuprofen | Descriptor: | IBUPROFEN, SULFATE ION, Serum albumin, ... | Authors: | Czub, M.P, Handing, K.B, Venkataramany, B.S, Steen, E.H, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-26 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 63, 2020
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6QQQ
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![BU of 6qqq by Molmil](/molmil-images/mine/6qqq) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6U5B
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![BU of 6u5b by Molmil](/molmil-images/mine/6u5b) | CryoEM Structure of Pyocin R2 - precontracted - baseplate | Descriptor: | Glue PA0627, Ripcord PA0626, Sheath Initiator PA0617, ... | Authors: | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | Deposit date: | 2019-08-27 | Release date: | 2020-04-15 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Action of a minimal contractile bactericidal nanomachine. Nature, 580, 2020
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8PVH
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![BU of 8pvh by Molmil](/molmil-images/mine/8pvh) | Structure of human apo ALDH1A1 determined by cryoEM at 100 keV | Descriptor: | Aldehyde dehydrogenase 1A1, CHLORIDE ION | Authors: | McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J. | Deposit date: | 2023-07-17 | Release date: | 2023-11-29 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure determination by cryoEM at 100 keV. Proc.Natl.Acad.Sci.USA, 120, 2023
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4XDK
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![BU of 4xdk by Molmil](/molmil-images/mine/4xdk) | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine | Descriptor: | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-19 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac. Science, 347, 2015
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8TH2
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![BU of 8th2 by Molmil](/molmil-images/mine/8th2) | Structure of the isoflavene-forming dirigent protein PsPTS2 | Descriptor: | Dirigent protein | Authors: | Smith, C.A, Meng, Q, Lewis, N.G, Davin, L.B. | Deposit date: | 2023-07-13 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Dirigent isoflavene-forming PsPTS2: 3D structure, stereochemical, and kinetic characterization comparison with pterocarpan-forming PsPTS1 homolog in pea. J.Biol.Chem., 300, 2024
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6HIY
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![BU of 6hiy by Molmil](/molmil-images/mine/6hiy) | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the body of the small mitoribosomal subunit in complex with mt-IF-3 | Descriptor: | 9S rRNA, MAGNESIUM ION, SPERMIDINE, ... | Authors: | Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. | Deposit date: | 2018-08-31 | Release date: | 2018-09-26 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes. Science, 362, 2018
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6QR6
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![BU of 6qr6 by Molmil](/molmil-images/mine/6qr6) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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8A3G
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![BU of 8a3g by Molmil](/molmil-images/mine/8a3g) | X-ray crystal structure of a de novo designed antiparallel coiled-coil homotetramer with 4 heptad repeats, apCC-Tet* | Descriptor: | ACETATE ION, SODIUM ION, apCC-Tet* | Authors: | Naudin, E.A, Mylemans, B, Albanese, K.I, Woolfson, D.N. | Deposit date: | 2022-06-08 | Release date: | 2022-10-05 | Last modified: | 2022-11-23 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles. Chem Sci, 13, 2022
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