4LGN
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![BU of 4lgn by Molmil](/molmil-images/mine/4lgn) | The structure of Acidothermus cellulolyticus family 74 glycoside hydrolase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cellulose-binding, ... | Authors: | Alahuhta, P.M, Lunin, V.V. | Deposit date: | 2013-06-28 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure of Acidothermus cellulolyticus family 74 glycoside hydrolase at 1.82 angstrom resolution. Acta Crystallogr.,Sect.F, 69, 2013
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5FAG
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3TOS
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![BU of 3tos by Molmil](/molmil-images/mine/3tos) | Crystal Structure of CalS11, Calicheamicin Methyltransferase | Descriptor: | 1,2-ETHANEDIOL, CalS11, GLUTAMIC ACID, ... | Authors: | Chang, A, Aceti, D.J, Beebe, E.T, Makino, S.-I, Wrobel, R.L, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2011-09-06 | Release date: | 2011-10-05 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of CalS11, Calicheamicin methyltransferase To be Published
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3IWK
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![BU of 3iwk by Molmil](/molmil-images/mine/3iwk) | Crystal structure of aminoaldehyde dehydrogenase 1 from Pisum sativum (PsAMADH1) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Aminoaldehyde dehydrogenase, GLYCEROL, ... | Authors: | Kopecny, D, Morera, S, Briozzo, P. | Deposit date: | 2009-09-02 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional characterization of plant aminoaldehyde dehydrogenase from Pisum sativum with a broad specificity for natural and synthetic aminoaldehydes. J.Mol.Biol., 396, 2010
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9FDK
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![BU of 9fdk by Molmil](/molmil-images/mine/9fdk) | Crystal Structure of oxidized NuoEF variant R66G(NuoF) from Aquifex aeolicus | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FDJ
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![BU of 9fdj by Molmil](/molmil-images/mine/9fdj) | Crystal structure of the NuoEF variant R66G (NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions (short soak) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FE7
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![BU of 9fe7 by Molmil](/molmil-images/mine/9fe7) | Crystal Structure of oxidized NuoEF variant P228R(NuoF) from Aquifex aeolicus | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FEA
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![BU of 9fea by Molmil](/molmil-images/mine/9fea) | Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NAD+ | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9ETN
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![BU of 9etn by Molmil](/molmil-images/mine/9etn) | Crystal structure of murine CRTAC1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Cartilage acidic protein 1, ... | Authors: | Beugelink, J.W, Hof, H, Janssen, B.J.C. | Deposit date: | 2024-03-26 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | CRTAC1 has a Compact beta-propeller-TTR Core Stabilized by Potassium Ions. J.Mol.Biol., 436, 2024
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9FII
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![BU of 9fii by Molmil](/molmil-images/mine/9fii) | Crystal Structure of oxidized NuoEF variant E222K(NuoF) from Aquifex aeolicus | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FIL
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![BU of 9fil by Molmil](/molmil-images/mine/9fil) | Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus bound to NAD+ | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FMM
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![BU of 9fmm by Molmil](/molmil-images/mine/9fmm) | Structure of human ACE2 in complex with a fluorinated small molecule inhibitor | Descriptor: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Benoit, R.B, Rodrigues, M.J, Wieser, M.M. | Deposit date: | 2024-06-06 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2 European Journal of Nuclear Medicine and Molecular Imaging, 2024
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9FW2
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5XNQ
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![BU of 5xnq by Molmil](/molmil-images/mine/5xnq) | Crystal structures of human SALM5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Liu, H, Lin, Z, Xu, F. | Deposit date: | 2017-05-24 | Release date: | 2018-01-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structural basis of SALM5-induced PTP delta dimerization for synaptic differentiation Nat Commun, 9, 2018
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8C6O
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![BU of 8c6o by Molmil](/molmil-images/mine/8c6o) | Crystal Structure of H64F obelin mutant from Obelia longissima at 2.2 Angstrom resolution | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, Obelin, SODIUM ION | Authors: | Natashin, P.V, Burakova, L.P, Kovaleva, M.I, Schevtsov, M.B, Dmitrieva, D.A, Eremeeva, E.V, Markova, S.V, Mishin, A.V, Borshchevskiy, V.I, Vysotski, E.S. | Deposit date: | 2023-01-12 | Release date: | 2023-03-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Role of Tyr-His-Trp Triad and Water Molecule Near the N1-Atom of 2-Hydroperoxycoelenterazine in Bioluminescence of Hydromedusan Photoproteins: Structural and Mutagenesis Study. Int J Mol Sci, 24, 2023
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9FIF
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![BU of 9fif by Molmil](/molmil-images/mine/9fif) | Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-29 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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5XHA
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9EU5
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![BU of 9eu5 by Molmil](/molmil-images/mine/9eu5) | SSX structure of Autotaxin at room temperature | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | Authors: | Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S. | Deposit date: | 2024-03-27 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry. Iucrj, 2024
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4QRP
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![BU of 4qrp by Molmil](/molmil-images/mine/4qrp) | Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR | Descriptor: | Beta-2-microglobulin, DD31 TCR alpha chain, DD31 TCR beta chain, ... | Authors: | Gras, S, Berry, R, Lucet, I.S, Rossjohn, J. | Deposit date: | 2014-07-02 | Release date: | 2014-11-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant. J.Immunol., 193, 2014
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8YJA
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![BU of 8yja by Molmil](/molmil-images/mine/8yja) | Structure of Vibrio vulnificus MARTX cysteine protease domain lacking beta-flap | Descriptor: | INOSITOL HEXAKISPHOSPHATE, MARTX cysteine protease domain, SODIUM ION | Authors: | Chen, L, Khan, H, Tan, L, Li, X, Zhang, G, Im, Y.J. | Deposit date: | 2024-03-01 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of the activation of MARTX cysteine protease from Vibrio vunificus To Be Published
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9FQI
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![BU of 9fqi by Molmil](/molmil-images/mine/9fqi) | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | Descriptor: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.954 Å) | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design To be published
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9ENT
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![BU of 9ent by Molmil](/molmil-images/mine/9ent) | SSX structure of Autotaxin in cryogenic conditions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | Authors: | Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S. | Deposit date: | 2024-03-13 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry. Iucrj, 2024
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9FE5
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![BU of 9fe5 by Molmil](/molmil-images/mine/9fe5) | Crystal Structure of NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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9FQJ
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![BU of 9fqj by Molmil](/molmil-images/mine/9fqj) | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | Descriptor: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.563 Å) | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design To be published
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9FE8
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![BU of 9fe8 by Molmil](/molmil-images/mine/9fe8) | Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | Deposit date: | 2024-05-17 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I). Biochim Biophys Acta Bioenerg, 1865, 2024
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