6U7M
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5DJ2
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![BU of 5dj2 by Molmil](/molmil-images/mine/5dj2) | Fc Heterodimer Design 7.4 Y407A + T366V/K409V | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-01 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DJD
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![BU of 5djd by Molmil](/molmil-images/mine/5djd) | Fc Heterodimer Design 5.1 T366V + Y407F | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-02 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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6ZZH
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7A27
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6ZZ5
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![BU of 6zz5 by Molmil](/molmil-images/mine/6zz5) | Structure of soluble SmhB of the tripartite alpha-pore forming toxin, Smh, from Serratia marcescens. | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, SmhB | Authors: | Churchill-Angus, A.M, Baker, P.J. | Deposit date: | 2020-08-03 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Characterisation of a tripartite alpha-pore forming toxin from Serratia marcescens Sci Rep, 11, 2021
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7A0G
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6S5Y
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7A26
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7N7B
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![BU of 7n7b by Molmil](/molmil-images/mine/7n7b) | crystal structure of the N-formyltrasferase HCAN_0200 from Helicobacter canadensis on complex with folinic acid and dTDP-3-aminofucose | Descriptor: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Heisdorf, C.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-06-10 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis. Protein Sci., 30, 2021
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6TZS
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![BU of 6tzs by Molmil](/molmil-images/mine/6tzs) | A DNA i-motif/duplex hybrid | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*GP*CP*TP*GP*(CBR)P*AP*A)-3') | Authors: | Chu, B, Paukstelis, P.J. | Deposit date: | 2019-08-13 | Release date: | 2019-10-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A DNA G-quadruplex/i-motif hybrid. Nucleic Acids Res., 47, 2019
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6OPJ
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![BU of 6opj by Molmil](/molmil-images/mine/6opj) | Menin in complex with peptide inhibitor 25 | Descriptor: | DIMETHYL SULFOXIDE, Menin, Peptide inhibitor 25, ... | Authors: | Linhares, B.M, Fortuna, P, Cierpicki, T, Grembecka, J, Berlicki, L. | Deposit date: | 2019-04-25 | Release date: | 2020-09-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5006572 Å) | Cite: | Covalent and noncovalent constraints yield a figure eight-like conformation of a peptide inhibiting the menin-MLL interaction. Eur.J.Med.Chem., 207, 2020
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6ZMD
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![BU of 6zmd by Molmil](/molmil-images/mine/6zmd) | Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP | Descriptor: | Endoplasmic reticulum chaperone BiP, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Fauser, J, Gulen, B, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V. | Deposit date: | 2020-07-02 | Release date: | 2021-04-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD. Nat Commun, 12, 2021
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7Z3L
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![BU of 7z3l by Molmil](/molmil-images/mine/7z3l) | Autotaxin in complex with hybrid compound ziritaxestat (GLPG1690) | Descriptor: | 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Salgado-Polo, F, Ford, P, Heckmann, B, Perrakis, A. | Deposit date: | 2022-03-02 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Autotaxin facilitates selective LPA receptor signaling. Cell Chem Biol, 30, 2023
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7N7A
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![BU of 7n7a by Molmil](/molmil-images/mine/7n7a) | crystal structure of the dTDP-Qui3N N-formyltransferase from Helicobacter canadensis, apo form | Descriptor: | 1,2-ETHANEDIOL, Formyl_trans_N domain-containing protein | Authors: | Heisdorf, C.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-06-10 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis. Protein Sci., 30, 2021
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6U28
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![BU of 6u28 by Molmil](/molmil-images/mine/6u28) | Crystal structure of 1918 NS1-ED W187A in complex with the p85-beta-iSH2 domain of human PI3K | Descriptor: | Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta | Authors: | Cho, J.H, Zhao, B, Savage, N, Li, P. | Deposit date: | 2019-08-19 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses. Proc.Natl.Acad.Sci.USA, 117, 2020
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5DI4
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![BU of 5di4 by Molmil](/molmil-images/mine/5di4) | Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-WT ribozyme in Mn2+ at low pH | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MANGANESE (II) ION, RNA (48-MER) | Authors: | Mir, A, Chen, J, Neau, D, Golden, B.L. | Deposit date: | 2015-08-31 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.948 Å) | Cite: | Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction. Biochemistry, 54, 2015
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7N67
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![BU of 7n67 by Molmil](/molmil-images/mine/7n67) | Crystal structure of HCAN_0198, a 3,4-ketoisomerase from Helicobacter canadensis | Descriptor: | FdtA domain-containing protein, TETRAMETHYLAMMONIUM ION, THYMIDINE-5'-DIPHOSPHATE | Authors: | Heisdorf, C.J, Griffiths, W.A, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-06-07 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis. Protein Sci., 30, 2021
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7N7C
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![BU of 7n7c by Molmil](/molmil-images/mine/7n7c) | crystal structure of the N-formyltransferase HCAN_0200 from helicobacter canadensis in complex with folinic acid and dTDP-3-aminoquinovose | Descriptor: | 1,2-ETHANEDIOL, Formyl_trans_N domain-containing protein, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ... | Authors: | Heisdorf, C.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-06-10 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis. Protein Sci., 30, 2021
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8P4I
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![BU of 8p4i by Molmil](/molmil-images/mine/8p4i) | Cyanide dihydratase from Bacillus pumilus C1 | Descriptor: | Cyanide dihydratase | Authors: | Mulelu, A.E, Reitz, J, van Rooyen, J.M, Scheffer, M, Frangakis, A.S, Dlamini, L.S, Woodward, J.D, Benedik, M.J, Sewell, B.T. | Deposit date: | 2023-05-22 | Release date: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.83 Å) | Cite: | The Role of Histidine Residues in the Oligomerization of Cyanide Dihydratase from Bacillus pumilus C1 To Be Published
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5DH6
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![BU of 5dh6 by Molmil](/molmil-images/mine/5dh6) | Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mg2+ | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MAGNESIUM ION, hammerhead ribozyme | Authors: | Mir, A, Chen, J, Neau, D, Golden, B.L. | Deposit date: | 2015-08-29 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.784 Å) | Cite: | Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction. Biochemistry, 54, 2015
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6I99
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![BU of 6i99 by Molmil](/molmil-images/mine/6i99) | Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent inhibitor JS24 | Descriptor: | Cytoplasmic tyrosine-protein kinase BMX, ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide | Authors: | Sousa, B.B, Matias, P.M, Marques, M.C, Seixas, J.D, Bernardes, G.J.L. | Deposit date: | 2018-11-22 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors Chem.Biol., 2020
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8OZD
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![BU of 8ozd by Molmil](/molmil-images/mine/8ozd) | cryoEM structure of SPARTA complex dimer-3 | Descriptor: | DNA (16-MER), Piwi domain-containing protein, RNA (18-MER), ... | Authors: | Ekundayo, B, Ni, D.C, Lu, X.H, Stahlberg, H. | Deposit date: | 2023-05-09 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Activation mechanism of a short argonaute-TIR prokaryotic immune system. Sci Adv, 9, 2023
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8P23
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![BU of 8p23 by Molmil](/molmil-images/mine/8p23) | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, ATP/CTP-bound state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2023-05-14 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site Elife, 2023
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8BIT
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![BU of 8bit by Molmil](/molmil-images/mine/8bit) | Crystal structure of acyl-CoA synthetase from Metallosphaera sedula in complex with Coenzyme A and acetyl-AMP | Descriptor: | 4-hydroxybutyrate--CoA ligase 1, COENZYME A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate | Authors: | Capra, N, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2022-11-02 | Release date: | 2023-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering Front Catal, 4, 2024
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