6X71
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7MHD
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![BU of 7mhd by Molmil](/molmil-images/mine/7mhd) | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635 | Descriptor: | Fatty acid synthase, N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide | Authors: | Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N. | Deposit date: | 2021-04-15 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635 To Be Published
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3VGX
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![BU of 3vgx by Molmil](/molmil-images/mine/3vgx) | Structure of gp41 T21/Cp621-652 | Descriptor: | ACETIC ACID, Envelope glycoprotein gp160, GLYCEROL | Authors: | Yao, X, Waltersperger, S, Wang, M, Cui, S. | Deposit date: | 2011-08-22 | Release date: | 2012-04-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of critical residues for viral entry and inhibition through structural Insight of HIV-1 fusion inhibitor CP621-652. J.Biol.Chem., 287, 2012
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4GID
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![BU of 4gid by Molmil](/molmil-images/mine/4gid) | Structure of beta-secretase complexed with inhibitor | Descriptor: | Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S. | Deposit date: | 2012-08-08 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. J.Med.Chem., 55, 2012
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7MHA
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7MN0
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7MKV
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7MKC
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7MMQ
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5KHZ
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![BU of 5khz by Molmil](/molmil-images/mine/5khz) | PSEUDO T4 LYSOZYME | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Endolysin | Authors: | Scholfield, M.R. | Deposit date: | 2016-06-16 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure-Energy Relationships of Halogen Bonds in Proteins. Biochemistry, 56, 2017
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7MP4
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![BU of 7mp4 by Molmil](/molmil-images/mine/7mp4) | Crystal structure of Epiphyas postvittana antennal carboxylesterase 24 | Descriptor: | Carboxylesterase-24, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Hamiaux, C, Carraher, C. | Deposit date: | 2021-05-04 | Release date: | 2022-05-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structure of an antennally-expressed carboxylesterase suggests lepidopteran odorant degrading enzymes are broadly tuned Curr Res Insect Sci, 3, 2023
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7MQP
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![BU of 7mqp by Molmil](/molmil-images/mine/7mqp) | E. coli dihydrofolate reductase complexed with 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228) | Descriptor: | 3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase, SULFATE ION | Authors: | Lombardo, M.N, Wright, D.L. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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7MRI
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![BU of 7mri by Molmil](/molmil-images/mine/7mri) | Crystal structure of N63T yeast iso-1-cytochrome c | Descriptor: | Cytochrome c isoform 1, HEME C | Authors: | Lei, H, Bowler, B.E, Evenson, G.E. | Deposit date: | 2021-05-07 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Effect on intrinsic peroxidase activity of substituting coevolved residues from Omega-loop C of human cytochrome c into yeast iso-1-cytochrome c. J.Inorg.Biochem., 232, 2022
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5K0W
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![BU of 5k0w by Molmil](/molmil-images/mine/5k0w) | Crystal structure of the metallo-beta-lactamase GOB-18 from Elizabethkingia meningoseptica | Descriptor: | CHLORIDE ION, Class B carbapenemase GOB-18, GLYCEROL, ... | Authors: | Buschiazzo, A, Larrieux, N, Vila, A.J, Lisa, M.N, Moran-Barrio, J. | Deposit date: | 2016-05-17 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal Structure of the Metallo-beta-Lactamase GOB in the Periplasmic Dizinc Form Reveals an Unusual Metal Site. Antimicrob.Agents Chemother., 60, 2016
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7MW8
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4G0M
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![BU of 4g0m by Molmil](/molmil-images/mine/4g0m) | Crystal structure of Arabidopsis thaliana AGO2 MID domain | Descriptor: | Protein argonaute 2, SULFATE ION | Authors: | Frank, F, Hauver, J, Sonenberg, N, Nagar, B. | Deposit date: | 2012-07-09 | Release date: | 2012-07-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.306 Å) | Cite: | Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs. Embo J., 31, 2012
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4G0Q
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![BU of 4g0q by Molmil](/molmil-images/mine/4g0q) | Crystal structure of Arabidopsis thaliana AGO1 MID domain in complex with CMP | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Protein argonaute 1 | Authors: | Frank, F, Hauver, J, Sonenberg, N, Nagar, B. | Deposit date: | 2012-07-09 | Release date: | 2012-07-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs. Embo J., 31, 2012
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5JV2
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![BU of 5jv2 by Molmil](/molmil-images/mine/5jv2) | Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-055 | Descriptor: | CHLORIDE ION, Farnesyl pyrophosphate synthase, PHOSPHATE ION, ... | Authors: | Park, J, Magder, A, Tsakos, M, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2016-05-10 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. J. Med. Chem., 60, 2017
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1I1P
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![BU of 1i1p by Molmil](/molmil-images/mine/1i1p) | REFINEMENT INCLUDING EXPERIMENTAL MAD PHASES ALLOWS AN EXHAUSTIVE STUDY OF ORDERED SOLVENT MOLECULES FOR A PLATINATED DECANUCLEOTIDE | Descriptor: | 5'-D(*CP*CP*TP*CP*GP*CP*TP*CP*TP*C)-3', 5'-D(*GP*AP*GP*AP*GP*CP*GP*AP*GP*G)-3', Cisplatin, ... | Authors: | Coste, F, Shepard, W, Zelwer, C. | Deposit date: | 2001-02-02 | Release date: | 2002-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Description of ordered solvent molecules in a platinated decanucleotide duplex refined at 1.6A resolution against experimental MAD phases. Acta Crystallogr.,Sect.D, 58, 2002
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3VTP
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![BU of 3vtp by Molmil](/molmil-images/mine/3vtp) | HIV fusion inhibitor MT-C34 | Descriptor: | Transmembrane protein gp41 | Authors: | Yao, X, Waltersperger, S, Wang, M, Cui, S. | Deposit date: | 2012-06-02 | Release date: | 2012-08-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The M-T hook structure is critical for design of HIV-1 fusion inhibitors. J.Biol.Chem., 287, 2012
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7MJC
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![BU of 7mjc by Molmil](/molmil-images/mine/7mjc) | Crystal Structure Analysis of ALDH1B1 | Descriptor: | Aldehyde dehydrogenase X, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Fernandez, D, Chen, J.K. | Deposit date: | 2021-04-20 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
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7MJD
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![BU of 7mjd by Molmil](/molmil-images/mine/7mjd) | Crystal Structure Analysis of ALDH1B1 | Descriptor: | 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene, Aldehyde dehydrogenase X, mitochondrial, ... | Authors: | Fernandez, D, Chen, J.K. | Deposit date: | 2021-04-20 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
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1O1E
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![BU of 1o1e by Molmil](/molmil-images/mine/1o1e) | MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | Deposit date: | 2002-11-19 | Release date: | 2002-12-04 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (70 Å) | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle J.Struct.Biol., 138, 2002
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5K1Z
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![BU of 5k1z by Molmil](/molmil-images/mine/5k1z) | Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | Deposit date: | 2016-05-18 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | NEUTRON DIFFRACTION (2.6 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6XMA
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![BU of 6xma by Molmil](/molmil-images/mine/6xma) | Crystal structure of iron-bound LSD4 from Sphingobium sp. strain SYK-6 | Descriptor: | Dioxygenase, FE (III) ION, SULFATE ION | Authors: | Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D. | Deposit date: | 2020-06-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6. J.Biol.Chem., 296, 2021
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