2H42
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![BU of 2h42 by Molmil](/molmil-images/mine/2h42) | Crystal structure of PDE5 in complex with sildenafil | Descriptor: | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, ZINC ION, ... | Authors: | Wang, H, Ke, H. | Deposit date: | 2006-05-23 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development J.Biol.Chem., 281, 2006
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8X1V
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8X6V
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![BU of 8x6v by Molmil](/molmil-images/mine/8x6v) | Crystal structure of GlacPETase | Descriptor: | GlacPETase | Authors: | Qi, X, Zhou, N.Y. | Deposit date: | 2023-11-22 | Release date: | 2024-02-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | The unique salt bridge network in GlacPETase: a key to its stability. Appl.Environ.Microbiol., 90, 2024
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2H44
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![BU of 2h44 by Molmil](/molmil-images/mine/2h44) | Crystal structure of PDE5A1 in complex with icarisid II | Descriptor: | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE, MAGNESIUM ION, ZINC ION, ... | Authors: | Wang, H, Ke, H. | Deposit date: | 2006-05-23 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development J.Biol.Chem., 281, 2006
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2H5E
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![BU of 2h5e by Molmil](/molmil-images/mine/2h5e) | Crystal structure of E.coli polypeptide release factor RF3 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor RF-3 | Authors: | Song, H.W, Zhou, Z.H. | Deposit date: | 2006-05-26 | Release date: | 2007-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | RF3 induces ribosomal conformational changes responsible for dissociation of class I release factors Cell(Cambridge,Mass.), 129, 2007
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3VZE
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![BU of 3vze by Molmil](/molmil-images/mine/3vze) | |
8HFE
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![BU of 8hfe by Molmil](/molmil-images/mine/8hfe) | Cryo-EM structure of human norepinephrine transporter NET in an inward-open state at resolution of 2.5 angstrom | Descriptor: | CHLORIDE ION, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-10 | Release date: | 2024-05-15 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 2024
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8HFF
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![BU of 8hff by Molmil](/molmil-images/mine/8hff) | Cryo-EM structure of human norepinephrine transporter NET in the presence of norepinephrine in an inward-open state at resolution of 2.9 angstrom. | Descriptor: | L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-10 | Release date: | 2024-05-15 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 2024
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8HFL
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![BU of 8hfl by Molmil](/molmil-images/mine/8hfl) | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant bupropion in an inward-open state at resolution of 3.0 angstrom. | Descriptor: | Bupropion, CHLORIDE ION, Sodium-dependent noradrenaline transporter | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | Deposit date: | 2022-11-11 | Release date: | 2024-05-15 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis of human noradrenaline transporter reuptake and inhibition. Nature, 2024
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7XOE
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![BU of 7xoe by Molmil](/molmil-images/mine/7xoe) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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7XOG
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![BU of 7xog by Molmil](/molmil-images/mine/7xog) | Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide, ... | Authors: | Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J. | Deposit date: | 2022-05-01 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants. Sci Bull (Beijing), 68, 2023
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6NT2
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![BU of 6nt2 by Molmil](/molmil-images/mine/6nt2) | type 1 PRMT in complex with the inhibitor GSK3368715 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ... | Authors: | Concha, N.O. | Deposit date: | 2019-01-28 | Release date: | 2019-07-10 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss. Cancer Cell, 36, 2019
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4YDM
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![BU of 4ydm by Molmil](/molmil-images/mine/4ydm) | High resolution crystal structure of human transthyretin bound to ligand and conjugates of 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate | Descriptor: | 2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, Transthyretin | Authors: | Connelly, S, Bradbury, N.C. | Deposit date: | 2015-02-22 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans. J.Am.Chem.Soc., 137, 2015
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4Y2L
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![BU of 4y2l by Molmil](/molmil-images/mine/4y2l) | Structure of CFA/I pili major subunit CfaB trimer | Descriptor: | CALCIUM ION, CFA/I fimbrial subunit B, ISOPROPYL ALCOHOL | Authors: | Bao, R, Xia, D. | Deposit date: | 2015-02-10 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Off-pathway assembly of fimbria subunits is prevented by chaperone CfaA of CFA/I fimbriae from enterotoxigenic E. coli. Mol. Microbiol., 102, 2016
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4YDN
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![BU of 4ydn by Molmil](/molmil-images/mine/4ydn) | High resolution crystal structure of human transthyretin bound to ligand and conjugates of 4-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate | Descriptor: | 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate, Transthyretin | Authors: | Connelly, S, Bradbury, N.C. | Deposit date: | 2015-02-22 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans. J.Am.Chem.Soc., 137, 2015
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3VY6
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4Y2O
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![BU of 4y2o by Molmil](/molmil-images/mine/4y2o) | Structure of CFA/I pili chaperone-major subunit complex (CfaA-CfaB) | Descriptor: | CFA/I fimbrial subunit B, CfA/I fimbrial subunit A (Colonization factor antigen subunit A putative chaperone), NICKEL (II) ION, ... | Authors: | Bao, R, Xia, D. | Deposit date: | 2015-02-10 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.419 Å) | Cite: | Off-pathway assembly of fimbria subunits is prevented by chaperone CfaA of CFA/I fimbriae from enterotoxigenic E. coli. Mol. Microbiol., 102, 2016
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4XH3
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2GVF
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![BU of 2gvf by Molmil](/molmil-images/mine/2gvf) | HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021 | Descriptor: | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ... | Authors: | Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V. | Deposit date: | 2006-05-02 | Release date: | 2007-01-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease. Bioorg.Med.Chem.Lett., 16, 2006
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8J19
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![BU of 8j19 by Molmil](/molmil-images/mine/8j19) | Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex | Descriptor: | 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | Authors: | Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2023-04-12 | Release date: | 2023-06-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Nat Commun, 14, 2023
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8J1A
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![BU of 8j1a by Molmil](/molmil-images/mine/8j1a) | Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled | Descriptor: | Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2023-04-12 | Release date: | 2023-06-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Nat Commun, 14, 2023
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8J18
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![BU of 8j18 by Molmil](/molmil-images/mine/8j18) | Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | Authors: | Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2023-04-12 | Release date: | 2023-06-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Nat Commun, 14, 2023
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2EW6
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![BU of 2ew6 by Molmil](/molmil-images/mine/2ew6) | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | Descriptor: | (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase | Authors: | Cai, J. | Deposit date: | 2005-11-02 | Release date: | 2006-10-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation Protein Sci., 15, 2006
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2GYX
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![BU of 2gyx by Molmil](/molmil-images/mine/2gyx) | Crystal structure of DB884- D(CGCGAATTCGCG)2 complex at 1.86 A resolution. | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE | Authors: | Lee, M.P.H, Neidle, S. | Deposit date: | 2006-05-10 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Induced fit conformational changes of a "reversed amidine" heterocycle: optimized interactions in a DNA minor groove complex. J.Am.Chem.Soc., 129, 2007
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2IIE
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![BU of 2iie by Molmil](/molmil-images/mine/2iie) | single chain Integration Host Factor protein (scIHF2) in complex with DNA | Descriptor: | DNA (5'-D(*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DAP*DTP*DTP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DCP*DAP*DAP*DAP*DAP*DAP*DAP*DGP*DCP*DAP*DTP*DT)-3'), Integration host factor, ... | Authors: | Bao, Q, Droege, P, Davey, C.A. | Deposit date: | 2006-09-28 | Release date: | 2007-02-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A Divalent Metal-mediated Switch Controlling Protein-induced DNA Bending J.Mol.Biol., 367, 2007
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