8P87
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![BU of 8p87 by Molmil](/molmil-images/mine/8p87) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 mM X77, from an "old" crystal. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-31 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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6N03
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![BU of 6n03 by Molmil](/molmil-images/mine/6n03) | CO-bound Sperm Whale Myoglobin, room temperature structure, last 2 degrees of 5 degree total oscillation and 160 kGy dose | Descriptor: | CARBON MONOXIDE, Myoglobin, CO-bound, ... | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-11-06 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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2W8K
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![BU of 2w8k by Molmil](/molmil-images/mine/2w8k) | Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in syn orientation | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*N2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Eoff, R.L, Zhang, H, Egli, M, Guengerich, F.P. | Deposit date: | 2009-01-16 | Release date: | 2009-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Versatility of Y-Family Sulfolobus Solfataricus DNA Polymerase Dpo4 in Translesion Synthesis Past Bulky N2-Alkylguanine Adducts. J.Biol.Chem., 284, 2009
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4XRU
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![BU of 4xru by Molmil](/molmil-images/mine/4xru) | Structure of Pnkp1/Rnl/Hen1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Wang, P. | Deposit date: | 2015-01-21 | Release date: | 2015-04-22 | Last modified: | 2015-04-29 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Reconstitution and structure of a bacterial Pnkp1-Rnl-Hen1 RNA repair complex. Nat Commun, 6, 2015
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8P5C
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![BU of 8p5c by Molmil](/molmil-images/mine/8p5c) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 5 millimolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ACETATE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8A53
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![BU of 8a53 by Molmil](/molmil-images/mine/8a53) | Crystal structure of AtMCA-IIf C147A (metacaspase 9) from Arabidopsis thaliana | Descriptor: | Metacaspase-9, NITRATE ION | Authors: | Sabljic, I, Stael, S, Stahlberg, J, Bozhkov, P. | Deposit date: | 2022-06-14 | Release date: | 2023-05-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-function study of a Ca 2+ -independent metacaspase involved in lateral root emergence. Proc.Natl.Acad.Sci.USA, 120, 2023
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6SXL
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![BU of 6sxl by Molmil](/molmil-images/mine/6sxl) | Crystal structure of CrtE | Descriptor: | Geranylgeranyl pyrophosphate synthase, PHOSPHATE ION | Authors: | Feng, Y, Morgan, R.M.L, Nixon, P.J. | Deposit date: | 2019-09-26 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Geranylgeranyl Pyrophosphate Synthase (CrtE) Involved in Cyanobacterial Terpenoid Biosynthesis. Front Plant Sci, 11, 2020
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8P54
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![BU of 8p54 by Molmil](/molmil-images/mine/8p54) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 150 micromolar MG-132. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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8P5B
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![BU of 8p5b by Molmil](/molmil-images/mine/8p5b) | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 obtained in presence of 500 micromolar X77 enantiomer S. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-05-23 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease. J.Chem.Inf.Model., 64, 2024
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5MW5
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![BU of 5mw5 by Molmil](/molmil-images/mine/5mw5) | Human Jagged2 C2-EGF2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2 | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | Deposit date: | 2017-01-18 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands. EMBO J., 36, 2017
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7ZPF
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![BU of 7zpf by Molmil](/molmil-images/mine/7zpf) | Three-dimensional structure of AIP56, a short-trip single chain AB toxin from Photobacterium damselae subsp. piscicida. | Descriptor: | Aip56, GLYCEROL, NICKEL (II) ION, ... | Authors: | Lisboa, J, Pereira, P.J.B, dos Santos, N.M.S. | Deposit date: | 2022-04-27 | Release date: | 2023-05-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Unconventional structure and mechanisms for membrane interaction and translocation of the NF-kappa B-targeting toxin AIP56. Nat Commun, 14, 2023
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8OWX
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![BU of 8owx by Molmil](/molmil-images/mine/8owx) | Crystal Structure of METTL6 bound to SAH | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA N(3)-methylcytidine methyltransferase METTL6 | Authors: | Throll, P, Basu, S, Dolce, L.G, Kowalinski, E. | Deposit date: | 2023-04-28 | Release date: | 2024-05-08 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural basis of tRNA recognition by the m 3 C RNA methyltransferase METTL6 in complex with SerRS seryl-tRNA synthetase. Nat.Struct.Mol.Biol., 2024
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6SRI
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![BU of 6sri by Molmil](/molmil-images/mine/6sri) | Structure of the Fanconi anaemia core complex | Descriptor: | Fanconi anaemia protein FANCL, Unassigned secondary structure elements (base region, proposed FANCC-FANC-E-FANCF), ... | Authors: | Shakeel, S, Rajendra, E, Alcon, P, He, S, Scheres, S.H.W, Passmore, L.A. | Deposit date: | 2019-09-05 | Release date: | 2019-11-06 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structure of the Fanconi anaemia monoubiquitin ligase complex. Nature, 575, 2019
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4XZ4
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![BU of 4xz4 by Molmil](/molmil-images/mine/4xz4) | Structure of PI3K gamma in complex with an inhibitor | Descriptor: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | Deposit date: | 2015-02-03 | Release date: | 2016-02-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of PI3K gamma in complex with an inhibitor To Be Published
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6SSQ
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![BU of 6ssq by Molmil](/molmil-images/mine/6ssq) | Crystal structure of RARbeta LBD in complex with LG 100754 | Descriptor: | (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid, CITRATE ANION, GLYCEROL, ... | Authors: | le Maire, A, Teyssier, C, Germain, P, Bourguet, W. | Deposit date: | 2019-09-09 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Regulation of RXR-RAR Heterodimers by RXR- and RAR-Specific Ligands and Their Combinations. Cells, 8, 2019
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3JBB
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![BU of 3jbb by Molmil](/molmil-images/mine/3jbb) | Characterization of red-shifted phycobiliprotein complexes isolated from the chlorophyll f-containing cyanobacterium Halomicronema hongdechloris | Descriptor: | PHYCOCYANOBILIN, SULFATE ION, allophycocyanin beta chain, ... | Authors: | Li, Y, Lin, Y, Garvey, C, Birch, D, Corkery, R.W, Loughlin, P.C, Scheer, H, Willows, R.D, Chen, M. | Deposit date: | 2015-08-26 | Release date: | 2015-11-11 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (26 Å) | Cite: | Characterization of red-shifted phycobilisomes isolated from the chlorophyll f-containing cyanobacterium Halomicronema hongdechloris. Biochim.Biophys.Acta, 1857, 2015
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8IL0
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![BU of 8il0 by Molmil](/molmil-images/mine/8il0) | Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 | Descriptor: | Glycosyltransferase | Authors: | Dai, Y, Li, P, Qiao, H, Xia, M, Liu, W, Fang, P. | Deposit date: | 2023-03-01 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis. Acs Chem.Biol., 18, 2023
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5LVP
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![BU of 5lvp by Molmil](/molmil-images/mine/5lvp) | Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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4XYX
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![BU of 4xyx by Molmil](/molmil-images/mine/4xyx) | NanB plus Optactamide | Descriptor: | Optactamide, PHOSPHATE ION, Sialidase B | Authors: | Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J. | Deposit date: | 2015-02-03 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To Be Published
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8IBZ
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![BU of 8ibz by Molmil](/molmil-images/mine/8ibz) | Structure of R2 with 5'ORF and 3'UTR | Descriptor: | 5ORF-linker-3UTR, Reverse transcriptase-like protein, ZINC ION | Authors: | Deng, P, Tan, S, Wang, J, Liu, J.J. | Deposit date: | 2023-02-10 | Release date: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon. Cell, 186, 2023
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6FK5
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![BU of 6fk5 by Molmil](/molmil-images/mine/6fk5) | Structure of 3' phosphatase NExo (D146N) from Neisseria bound to DNA substrate in presence of magnesium ion | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*CP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*AP*GP*A)-3'), MAGNESIUM ION, ... | Authors: | Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S. | Deposit date: | 2018-01-23 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis. Nucleic Acids Res., 46, 2018
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6MV0
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![BU of 6mv0 by Molmil](/molmil-images/mine/6mv0) | CO-bound Sperm Whale Myoglobin, room temperature structure solved by serial 5degree oscillation crystallography | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-10-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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7NTP
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![BU of 7ntp by Molmil](/molmil-images/mine/7ntp) | Human myelin P2 mutant V115A | Descriptor: | Myelin P2 protein, PALMITIC ACID | Authors: | Uusitalo, M, Ruskamo, S, Kursula, P. | Deposit date: | 2021-03-10 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human myelin protein P2: from crystallography to time-lapse membrane imaging and neuropathy-associated variants. Febs J., 288, 2021
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5FZ7
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![BU of 5fz7 by Molmil](/molmil-images/mine/5fz7) | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment ethyl 2-amino-4-thiophen-2-ylthiophene-3- carboxylate (N06131b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-11 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Ethyl 2-Amino-4-Thiophen-2-Ylthiophene-3-Carboxylate (N06131B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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5FJJ
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![BU of 5fjj by Molmil](/molmil-images/mine/5fjj) | Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ... | Authors: | Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S. | Deposit date: | 2015-10-09 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases Acta Crystallogr.,Sect.D, 72, 2016
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