5LMA
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6UIU
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![BU of 6uiu by Molmil](/molmil-images/mine/6uiu) | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | Descriptor: | N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide, Streptavidin | Authors: | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | Deposit date: | 2019-10-01 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases. Inorg.Chem., 59, 2020
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8OJO
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![BU of 8ojo by Molmil](/molmil-images/mine/8ojo) | Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol | Descriptor: | 1-deoxy-alpha-D-mannopyranose, 1-thio-beta-D-galactopyranose, Galectin-3, ... | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | Deposit date: | 2023-03-24 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
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7AK6
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![BU of 7ak6 by Molmil](/molmil-images/mine/7ak6) | Cryo-EM structure of ND6-P25L mutant respiratory complex I from Mus musculus at 3.8 A | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Yin, Z, Bridges, H.R, Grba, D, Hirst, J. | Deposit date: | 2020-09-29 | Release date: | 2021-02-03 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Structural basis for a complex I mutation that blocks pathological ROS production. Nat Commun, 12, 2021
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7AFW
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![BU of 7afw by Molmil](/molmil-images/mine/7afw) | Beta-Catenin in complex with compound 6 | Descriptor: | 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile, Catenin beta-1 | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2020-09-21 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.814 Å) | Cite: | Getting a Grip on the Undrugged: Targeting beta-Catenin with Fragment-Based Methods. Chemmedchem, 16, 2021
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6UDR
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![BU of 6udr by Molmil](/molmil-images/mine/6udr) | S2 symmetric peptide design number 3 crystal form 1, Lurch | Descriptor: | S2-3, Lurch crystal form 1 | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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5LSP
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![BU of 5lsp by Molmil](/molmil-images/mine/5lsp) | 107_A07 Fab in complex with fragment of the Met receptor | Descriptor: | 107_A07 Fab heavy chain, 107_A07 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | DiCara, D, Chirgadze, D.Y, Pope, A, Karatt-Vellatt, A, Winter, A, van den Heuvel, J, Gherardi, E, McCafferty, J. | Deposit date: | 2016-09-05 | Release date: | 2017-09-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Characterization and structural determination of a new anti-MET function-blocking antibody with binding epitope distinct from the ligand binding domain. Sci Rep, 7, 2017
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4XDS
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![BU of 4xds by Molmil](/molmil-images/mine/4xds) | Deoxyguanosinetriphosphate Triphosphohydrolase from Escherichia coli with Nickel | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, NICKEL (II) ION, SULFATE ION | Authors: | Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M. | Deposit date: | 2014-12-19 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.354 Å) | Cite: | Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES. J.Biol.Chem., 290, 2015
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6O4J
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![BU of 6o4j by Molmil](/molmil-images/mine/6o4j) | Amyloid Beta KLVFFAENVGS 16-26 D23N Iowa mutation | Descriptor: | Amyloid-beta precursor protein | Authors: | Griner, S.L, Sawaya, M.R, Rodriguez, J.A, Cascio, D, Gonen, T. | Deposit date: | 2019-02-28 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (1.402 Å) | Cite: | Structure based inhibitors of Amyloid Beta core suggest a common interface with Tau. Elife, 8, 2019
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7PK9
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![BU of 7pk9 by Molmil](/molmil-images/mine/7pk9) | C-reactive protein decamer at pH 7.5 | Descriptor: | C-reactive protein, CALCIUM ION | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2021-08-25 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein. Front Immunol, 12, 2021
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6O53
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![BU of 6o53 by Molmil](/molmil-images/mine/6o53) | Structure of HLA-A2:01 with peptide MM96 | Descriptor: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | Authors: | Ying, G, Bitra, A, Zajonc, D.M. | Deposit date: | 2019-03-01 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Anin silico-in vitroPipeline Identifying an HLA-A*02:01+KRAS G12V+Spliced Epitope Candidate for a Broad Tumor-Immune Response in Cancer Patients. Front Immunol, 10, 2019
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7PKB
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![BU of 7pkb by Molmil](/molmil-images/mine/7pkb) | C-reactive protein pentamer at pH 7.5 | Descriptor: | C-reactive protein, CALCIUM ION | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2021-08-25 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein. Front Immunol, 12, 2021
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6LTQ
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![BU of 6ltq by Molmil](/molmil-images/mine/6ltq) | Crystal structure of pyrrolidone carboxyl peptidase from thermophilic keratin degrading bacterium Fervidobacterium islandicum AW-1 (FiPcp) | Descriptor: | GLYCEROL, PENTAETHYLENE GLYCOL, Pyroglutamyl-peptidase I | Authors: | Dhanasingh, I, Jin, H.S, Lee, D.W, Lee, S.H. | Deposit date: | 2020-01-23 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of oxidized pyrrolidone carboxypeptidase from Fervidobacterium islandicum AW-1 reveals unique structural features for thermostability and keratinolysis. Biochem.Biophys.Res.Commun., 540, 2021
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7PKF
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![BU of 7pkf by Molmil](/molmil-images/mine/7pkf) | C-reactive protein decamer at pH 5 | Descriptor: | C-reactive protein, CALCIUM ION | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2021-08-25 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein. Front Immunol, 12, 2021
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6O77
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![BU of 6o77 by Molmil](/molmil-images/mine/6o77) | Structure of the TRPM8 cold receptor by single particle electron cryo-microscopy, calcium-bound state | Descriptor: | CALCIUM ION, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8 | Authors: | Diver, M.M, Cheng, Y, Julius, D. | Deposit date: | 2019-03-07 | Release date: | 2019-09-18 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into TRPM8 inhibition and desensitization. Science, 365, 2019
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7PKE
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![BU of 7pke by Molmil](/molmil-images/mine/7pke) | C-reactive protein pentamer at pH 7.5 with phosphocholine ligand | Descriptor: | C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2021-08-25 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein. Front Immunol, 12, 2021
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7PKD
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![BU of 7pkd by Molmil](/molmil-images/mine/7pkd) | C-reactive protein decamer at pH 7.5 with phosphocholine ligand | Descriptor: | C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2021-08-25 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein. Front Immunol, 12, 2021
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8E1C
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8E1B
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8DSK
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![BU of 8dsk by Molmil](/molmil-images/mine/8dsk) | Structure of the N358Y variant of serine hydroxymethyltransferase 8 in complex with PLP, glycine, and formyl tetrahydrofolate | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | Authors: | Korasick, D.A, Beamer, L.J. | Deposit date: | 2022-07-22 | Release date: | 2023-10-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance. Febs J., 291, 2024
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7PKH
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![BU of 7pkh by Molmil](/molmil-images/mine/7pkh) | C-reactive protein decamer at pH 5 with phosphocholine ligand | Descriptor: | C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2021-08-25 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein. Front Immunol, 12, 2021
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8CLT
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8CLU
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![BU of 8clu by Molmil](/molmil-images/mine/8clu) | Zearalenone lactonase from Rhodococcus erythropolis in complex with zearalactamenone | Descriptor: | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione, GLYCEROL, Zearalenone lactonase | Authors: | Puehringer, D. | Deposit date: | 2023-02-17 | Release date: | 2024-02-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone. Acs Catalysis, 14, 2024
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7N9C
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7APM
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![BU of 7apm by Molmil](/molmil-images/mine/7apm) | tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL. | Descriptor: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-10-18 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance. Angew.Chem.Int.Ed.Engl., 60, 2021
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