6QZC
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![BU of 6qzc by Molmil](/molmil-images/mine/6qzc) | HLA-DR1 with the QAR Peptide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Greenshields-Watson, A, Rizkallah, P.J. | Deposit date: | 2019-03-11 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features. Cell Rep, 32, 2020
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7Q8Y
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![BU of 7q8y by Molmil](/molmil-images/mine/7q8y) | Crystal structure of TTBK2 in complex with VNG2.73 (compound 42) | Descriptor: | PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Authors: | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-11 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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6ZHM
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![BU of 6zhm by Molmil](/molmil-images/mine/6zhm) | Crystal Structure of Staphylococcus aureus RsgA bound to GDP. | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ... | Authors: | Bennison, D.J, Rafferty, J.B, Corrigan, R.M. | Deposit date: | 2020-06-23 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions. Mbio, 12, 2021
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6Z3I
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![BU of 6z3i by Molmil](/molmil-images/mine/6z3i) | Structure of recombinant beta-glucocerebrosidase in complex with bifunctional cyclophellitol aziridine activity based probe | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2020-05-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents. Chemistry, 27, 2021
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6HYG
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![BU of 6hyg by Molmil](/molmil-images/mine/6hyg) | Heteromeric tandem IgG4/IgG1 Fc | Descriptor: | IgHG1 and IgHG4 hybrid, ZINC ION | Authors: | Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G. | Deposit date: | 2018-10-21 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM. Proc.Natl.Acad.Sci.USA, 116, 2019
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7QNQ
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![BU of 7qnq by Molmil](/molmil-images/mine/7qnq) | Structure of the Aux2 relaxosome protein of plasmid pLS20 | Descriptor: | Auxiliary relaxosome protein, CHLORIDE ION, MAGNESIUM ION | Authors: | Boer, D.R, Crespo, I. | Deposit date: | 2021-12-22 | Release date: | 2022-03-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and biochemical characterization of the relaxosome auxiliary proteins encoded on the Bacillus subtilis plasmid pLS20. Comput Struct Biotechnol J, 20, 2022
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6Z9Y
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![BU of 6z9y by Molmil](/molmil-images/mine/6z9y) | Copper transporter OprC | Descriptor: | COPPER (II) ION, Putative copper transport outer membrane porin OprC | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2020-06-04 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
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8BCT
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![BU of 8bct by Molmil](/molmil-images/mine/8bct) | X-ray crystal structure of a de novo selected helix-loop-helix heterodimer in a syn arrangement, 26alpha/26beta | Descriptor: | 26alpha, 26beta, ACETATE ION, ... | Authors: | Naudin, E.A, Mylemans, B, Smith, A.J, Savery, N.J, Woolfson, D.N. | Deposit date: | 2022-10-17 | Release date: | 2023-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Selection of Heterodimerizing Helical Hairpins for Synthetic Biology. Acs Synth Biol, 12, 2023
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6GH9
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![BU of 6gh9 by Molmil](/molmil-images/mine/6gh9) | USP15 catalytic domain in complex with small molecule | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DIMETHYL SULFOXIDE, Ubiquitin carboxyl-terminal hydrolase 15, ... | Authors: | Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I. | Deposit date: | 2018-05-06 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel. J. Biol. Chem., 293, 2018
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5G2U
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![BU of 5g2u by Molmil](/molmil-images/mine/5g2u) | Structure of BT1596,a 2-O GAG sulfatase | Descriptor: | 2-O GLYCOSAMINOGLYCAN SULFATASE, CITRIC ACID, ZINC ION | Authors: | Cartmell, A, Lowe, E.C, Basle, A, Crouch, L.I, Czjzek, M, Turnbull, J, Henrissat, B, Terrapon, N, Thomas, S, Murray, H, Firbank, S.J, Bolam, D.N. | Deposit date: | 2016-04-14 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | How members of the human gut microbiota overcome the sulfation problem posed by glycosaminoglycans. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6HYI
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![BU of 6hyi by Molmil](/molmil-images/mine/6hyi) | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.4 A resolution in complex with inosine | Descriptor: | INOSINE, Protein kinase A regulatory subunit | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | Deposit date: | 2018-10-22 | Release date: | 2019-11-13 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.39944851 Å) | Cite: | Purine nucleosides replace cAMP in allosteric regulation of PKA in trypanosomatid pathogens. Elife, 12, 2024
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8BOQ
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![BU of 8boq by Molmil](/molmil-images/mine/8boq) | A. vinelandii Fe-nitrogenase FeFe protein | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE(8)-S(7) CLUSTER, Fe-only nitrogenase, ... | Authors: | Trncik, C, Detemple, F, Einsle, O. | Deposit date: | 2022-11-15 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.547 Å) | Cite: | Iron-only Fe-nitrogenase underscores common catalytic principles in biological nitrogen fixation Nat Catal, 2023
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7M55
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![BU of 7m55 by Molmil](/molmil-images/mine/7m55) | B6 Fab fragment bound to the MERS-CoV spike stem helix peptide | Descriptor: | B6 antigen binding fragment (Fab) heavy chain, B6 antigen binding fragment (Fab) light chain, GLYCEROL, ... | Authors: | Sauer, M.M, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2021-03-22 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for broad coronavirus neutralization. Nat.Struct.Mol.Biol., 28, 2021
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6BP6
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![BU of 6bp6 by Molmil](/molmil-images/mine/6bp6) | |
7QY3
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![BU of 7qy3 by Molmil](/molmil-images/mine/7qy3) | Crystal structure of the halohydrin dehalogenase HheG D114C mutant cross-linked with BMOE | Descriptor: | 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), Putative oxidoreductase, SULFATE ION | Authors: | Henke, S, Blankenfeldt, W, Schallmey, A. | Deposit date: | 2022-01-27 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Biocatalytically active and stable cross-linked enzyme crystals of halohydrin dehalogenase HheG by protein engineering Chemcatchem, 2022
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5UTR
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![BU of 5utr by Molmil](/molmil-images/mine/5utr) | Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-butyryl-4,5,6-trihydroxyazepane | Descriptor: | Beta-hexosaminidase, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide | Authors: | Vadlamani, G, Mark, B.L. | Deposit date: | 2017-02-15 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance. Protein Sci., 26, 2017
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6R26
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![BU of 6r26 by Molmil](/molmil-images/mine/6r26) | The photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) locked in a Pr-like state | Descriptor: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, CALCIUM ION | Authors: | Scheerer, P, Michael, N, Lamparter, T, Krauss, N. | Deposit date: | 2019-03-15 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Crystal structures of the photosensory core module of bacteriophytochrome Agp1 reveal pronounced structural flexibility of this protein in the red-absorbing Pr state To Be Published
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6HYQ
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![BU of 6hyq by Molmil](/molmil-images/mine/6hyq) | |
7Q8Z
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![BU of 7q8z by Molmil](/molmil-images/mine/7q8z) | Crystal structure of TTBK2 in complex with VNG1.33 (compound 27) | Descriptor: | PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-(4-phenoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Authors: | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-11 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem., 65, 2022
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6ZHL
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![BU of 6zhl by Molmil](/molmil-images/mine/6zhl) | Crystal Structure of Staphylococcus aureus RsgA bound to ppGpp. | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ... | Authors: | Bennison, D.J, Rafferty, J.B, Corrigan, R.M. | Deposit date: | 2020-06-23 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions. Mbio, 12, 2021
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8R37
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![BU of 8r37 by Molmil](/molmil-images/mine/8r37) | Klebsiella pneumoniae fosfomycin-resistance protein (FosAKP) | Descriptor: | FOSFOMYCIN, FosA family fosfomycin resistance glutathione transferase, L(+)-TARTARIC ACID, ... | Authors: | Papageorgiou, A.C, Varotsou, C, Labrou, N.E. | Deposit date: | 2023-11-08 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural Studies of Klebsiella pneumoniae Fosfomycin-Resistance Protein and Its Application for the Development of an Optical Biosensor for Fosfomycin Determination. Int J Mol Sci, 25, 2023
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5UU1
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![BU of 5uu1 by Molmil](/molmil-images/mine/5uu1) | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to BI-D1870 | Descriptor: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase VRK2 | Authors: | Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-15 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations. Sci Rep, 7, 2017
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6ZJO
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![BU of 6zjo by Molmil](/molmil-images/mine/6zjo) | Crystal Structure of Staphylococcus aureus RsgA. | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Small ribosomal subunit biogenesis GTPase RsgA, ... | Authors: | Bennison, D.J, Rafferty, J.B, Corrigan, R.M. | Deposit date: | 2020-06-29 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions. Mbio, 12, 2021
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5G4P
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![BU of 5g4p by Molmil](/molmil-images/mine/5g4p) | Crystal structure of human hippocalcin at 2.4 A resolution | Descriptor: | CALCIUM ION, Neuron-specific calcium-binding protein hippocalcin | Authors: | Antonyuk, S.V, Helassa, N, Lian, L.Y, Haynes, L.P, Burgoyne, R.D. | Deposit date: | 2016-05-15 | Release date: | 2017-05-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia. Hum. Mol. Genet., 26, 2017
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6GJ7
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![BU of 6gj7 by Molmil](/molmil-images/mine/6gj7) | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22 | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | Deposit date: | 2018-05-16 | Release date: | 2019-07-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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