7ANQ
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![BU of 7anq by Molmil](/molmil-images/mine/7anq) | Complete PCSK9 C-ter domain in complex with VHH P1.40 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Proprotein convertase subtilisin/kexin type 9, SULFATE ION, ... | Authors: | Ciccone, L, Legrand, P, Stura, E.A, Dive, V, Seidahn, N.G, Fruchart Gaillard, C. | Deposit date: | 2020-10-12 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular interactions of PCSK9 with an inhibitory nanobody, CAP1 and HLA-C: Functional regulation of LDLR levels. Mol Metab, 67, 2022
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8GJM
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![BU of 8gjm by Molmil](/molmil-images/mine/8gjm) | 17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2. J Med Virol, 95, 2023
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8QXX
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![BU of 8qxx by Molmil](/molmil-images/mine/8qxx) | HCMV DNA polymerase processivity factor UL44 phosphorylated NLS 410-433 bound to mouse importin alpha 2 | Descriptor: | DNA polymerase processivity factor, Importin subunit alpha-1 | Authors: | Cross, E.M, Marin, O, Ariawan, D, Aragao, D, Cozza, G, Di Iorio, E, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-10-25 | Release date: | 2023-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44. Febs Lett., 598, 2024
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8QXW
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![BU of 8qxw by Molmil](/molmil-images/mine/8qxw) | HCMV DNA polymerase processivity factor UL44 unphosphorylated NLS 410-433 bound to mouse importin alpha 2 | Descriptor: | DNA polymerase processivity factor, Importin subunit alpha-1 | Authors: | Cross, E.M, Marin, O, Ariawan, D, Aragao, D, Cozza, G, Di Iorio, E, Forwood, J.K, Alvisi, G. | Deposit date: | 2023-10-25 | Release date: | 2023-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44. Febs Lett., 598, 2024
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6Y8N
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![BU of 6y8n by Molmil](/molmil-images/mine/6y8n) | Mycobacterium thermoresistibile GyrB21 in complex with Redx03863 | Descriptor: | 1,2-ETHANEDIOL, 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, ... | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | Deposit date: | 2020-03-05 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase. J.Antimicrob.Chemother., 75, 2020
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6Y4J
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![BU of 6y4j by Molmil](/molmil-images/mine/6y4j) | Engineered Fructosyl Peptide Oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase, GLYCEROL, ... | Authors: | Donini, S, Rigoldi, F, Gautieri, A, Parisini, E. | Deposit date: | 2020-02-21 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel. Biotechnol.Bioeng., 117, 2020
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5LM0
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![BU of 5lm0 by Molmil](/molmil-images/mine/5lm0) | NMR spatial structure of Tk-hefu peptide | Descriptor: | L-2 | Authors: | Mineev, K.S, Berkut, A.A, Novikova, E.V, Oparin, P.B, Grishin, E.V, Arseniev, A.S, Vassilevski, A.A. | Deposit date: | 2016-07-28 | Release date: | 2017-08-16 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Protein Surface Topography as a tool to enhance the selective activity of a potassium channel blocker. J.Biol.Chem., 2019
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3IO9
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![BU of 3io9 by Molmil](/molmil-images/mine/3io9) | BimL12Y in complex with Mcl-1 | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D. | Deposit date: | 2009-08-14 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands. J.Biol.Chem., 284, 2009
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5LME
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![BU of 5lme by Molmil](/molmil-images/mine/5lme) | Specific-DNA binding activity of the cross-brace zinc finger motif of the piggyBac transposase | Descriptor: | ZINC ION, piggyBac transposase | Authors: | Morellet, N, Taylor, J.A, Wieninger, S, Moriau, S, Li, X, Lescop, E, Mathy, N, Bischerour, J, Betermier, M, Bardiaux, B, Nilges, M, Craig, N.L, Hickman, A.B, Dyda, F, Guittet, E. | Deposit date: | 2016-07-30 | Release date: | 2017-12-20 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Sequence-specific DNA binding activity of the cross-brace zinc finger motif of the piggyBac transposase. Nucleic Acids Res., 46, 2018
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4XVX
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![BU of 4xvx by Molmil](/molmil-images/mine/4xvx) | Crystal structure of an acyl-ACP dehydrogenase | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Acyl-[acyl-carrier-protein] dehydrogenase MbtN, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | Authors: | Chai, A, Johnston, J.M, Bunker, R.D, Lott, J.S, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2015-01-28 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A covalent adduct of MbtN, an acyl-ACP dehydrogenase from Mycobacterium tuberculosis, reveals an unusual acyl-binding pocket. Acta Crystallogr.,Sect.D, 71, 2015
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8GAI
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![BU of 8gai by Molmil](/molmil-images/mine/8gai) | |
6YDG
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![BU of 6ydg by Molmil](/molmil-images/mine/6ydg) | X-ray structure of LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L. | Deposit date: | 2020-03-20 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases. Biochemistry, 59, 2020
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4Q6E
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![BU of 4q6e by Molmil](/molmil-images/mine/4q6e) | Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide | Descriptor: | 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-04-22 | Release date: | 2014-11-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | 4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Molecules, 19, 2014
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3E43
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![BU of 3e43 by Molmil](/molmil-images/mine/3e43) | Q138F HincII bound to GTTAAC and cocrystallized with 2.5 mM MgCl2 | Descriptor: | 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DTP*DAP*DAP*DCP*DCP*DGP*DGP*DC)-3', Type-2 restriction enzyme HindII, UNKNOWN ATOM OR ION | Authors: | Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M. | Deposit date: | 2008-08-08 | Release date: | 2008-08-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | DNA distortion and specificity in a sequence-specific endonuclease. J.Mol.Biol., 383, 2008
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8G61
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![BU of 8g61 by Molmil](/molmil-images/mine/8g61) | mRNA decoding in human is kinetically and structurally distinct from bacteria (AC state) | Descriptor: | 1,4-DIAMINOBUTANE, 18S rRNA, 28S rRNA, ... | Authors: | Holm, M, Natchiar, K.S, Rundlet, E.J, Myasnikov, A.G, Altman, R.B, Blanchard, S.C. | Deposit date: | 2023-02-14 | Release date: | 2023-04-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | mRNA decoding in human is kinetically and structurally distinct from bacteria. Nature, 617, 2023
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6YDE
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![BU of 6yde by Molmil](/molmil-images/mine/6yde) | X-ray structure of LPMO | Descriptor: | COPPER (II) ION, LPMO lytic polysaccharide monooxygenase, SULFATE ION, ... | Authors: | Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L. | Deposit date: | 2020-03-20 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases. Biochemistry, 59, 2020
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6FC2
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![BU of 6fc2 by Molmil](/molmil-images/mine/6fc2) | |
5TFT
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![BU of 5tft by Molmil](/molmil-images/mine/5tft) | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2016-09-26 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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8CTH
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![BU of 8cth by Molmil](/molmil-images/mine/8cth) | Cryo-EM structure of human METTL1-WDR4-tRNA(Phe) complex | Descriptor: | Phe-tRNA, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase, ... | Authors: | Li, J, Wang, L, Fontana, P, Hunkeler, M, Roy-Burman, S.S, Wu, H, Fishcer, E.S, Gregory, R.I. | Deposit date: | 2022-05-14 | Release date: | 2022-12-07 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4. Nature, 613, 2023
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5MCC
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![BU of 5mcc by Molmil](/molmil-images/mine/5mcc) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 1.11 MGy | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | Authors: | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | Deposit date: | 2016-11-09 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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3E6S
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![BU of 3e6s by Molmil](/molmil-images/mine/3e6s) | |
5MCF
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![BU of 5mcf by Molmil](/molmil-images/mine/5mcf) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 7.59 MGy | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | Authors: | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | Deposit date: | 2016-11-09 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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8GI1
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![BU of 8gi1 by Molmil](/molmil-images/mine/8gi1) | Homo-octamer of PbuCsx28 protein | Descriptor: | Accessory protein Csx28 | Authors: | Park, J.U, Kellogg, E.H. | Deposit date: | 2023-03-13 | Release date: | 2023-04-26 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Csx28 is a membrane pore that enhances CRISPR-Cas13b-dependent antiphage defense. Science, 380, 2023
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6EXM
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![BU of 6exm by Molmil](/molmil-images/mine/6exm) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-11-08 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EUZ
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![BU of 6euz by Molmil](/molmil-images/mine/6euz) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | Descriptor: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-10-31 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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