7DXA
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![BU of 7dxa by Molmil](/molmil-images/mine/7dxa) | PSII intermediate Psb28-RC47 | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE, ... | Authors: | Sui, S.F, Shen, J.R, Han, G.Y, Xiao, Y.N, Huang, G.Q. | Deposit date: | 2021-01-18 | Release date: | 2021-06-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural insights into cyanobacterial photosystem II intermediates associated with Psb28 and Tsl0063. Nat.Plants, 7, 2021
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5KLI
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![BU of 5kli by Molmil](/molmil-images/mine/5kli) | Rhodobacter sphaeroides bc1 with stigmatellin and antimycin | Descriptor: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE, Cytochrome b, ... | Authors: | Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A. | Deposit date: | 2016-06-24 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.996 Å) | Cite: | Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III. J.Biol.Chem., 291, 2016
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5KKZ
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![BU of 5kkz by Molmil](/molmil-images/mine/5kkz) | Rhodobacter sphaeroides bc1 with famoxadone | Descriptor: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, ASCORBIC ACID, Cytochrome b, ... | Authors: | Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A. | Deposit date: | 2016-06-23 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III. J.Biol.Chem., 291, 2016
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7Q2U
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![BU of 7q2u by Molmil](/molmil-images/mine/7q2u) | The crystal structure of the HINT1 Q62A mutant. | Descriptor: | CACODYLATE ION, HEXAETHYLENE GLYCOL, Histidine triad nucleotide-binding protein 1, ... | Authors: | Dolot, R.M, Strom, A.M, Wagner, C.R. | Deposit date: | 2021-10-26 | Release date: | 2021-11-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Dynamic Long-Range Interactions Influence Substrate Binding and Catalysis by Human Histidine Triad Nucleotide-Binding Proteins (HINTs), Key Regulators of Multiple Cellular Processes and Activators of Antiviral ProTides. Biochemistry, 61, 2022
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8IJR
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![BU of 8ijr by Molmil](/molmil-images/mine/8ijr) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with diacylglycerol/phosphoethanolamine | Descriptor: | (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-28 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
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8IJQ
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![BU of 8ijq by Molmil](/molmil-images/mine/8ijq) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide | Descriptor: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
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7RN0
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7RN1
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6J8L
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![BU of 6j8l by Molmil](/molmil-images/mine/6j8l) | |
7LYI
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![BU of 7lyi by Molmil](/molmil-images/mine/7lyi) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3 | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2021-03-07 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. Acs Pharmacol Transl Sci, 4, 2021
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7LYH
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![BU of 7lyh by Molmil](/molmil-images/mine/7lyh) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1 | Descriptor: | 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2021-03-07 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. Acs Pharmacol Transl Sci, 4, 2021
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8WW2
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![BU of 8ww2 by Molmil](/molmil-images/mine/8ww2) | GPR3/Gs complex | Descriptor: | CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | He, Y, Xiong, Y. | Deposit date: | 2023-10-24 | Release date: | 2024-02-14 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Identification of oleic acid as an endogenous ligand of GPR3. Cell Res., 34, 2024
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7KX5
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![BU of 7kx5 by Molmil](/molmil-images/mine/7kx5) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A | Descriptor: | 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2020-12-03 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity. J.Am.Chem.Soc., 143, 2021
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4U93
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![BU of 4u93 by Molmil](/molmil-images/mine/4u93) | Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | Descriptor: | (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one, Heat shock protein HSP 90-alpha | Authors: | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | Deposit date: | 2014-08-05 | Release date: | 2014-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990. J.Med.Chem., 57, 2014
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4W7T
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![BU of 4w7t by Molmil](/molmil-images/mine/4w7t) | Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | Descriptor: | (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one, Heat shock protein HSP 90-alpha | Authors: | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | Deposit date: | 2014-08-22 | Release date: | 2014-11-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990. J.Med.Chem., 57, 2014
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7JRN
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![BU of 7jrn by Molmil](/molmil-images/mine/7jrn) | Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617 | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ... | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-08-12 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay. Acs Cent.Sci., 7, 2021
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7FD2
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![BU of 7fd2 by Molmil](/molmil-images/mine/7fd2) | Cryo-EM structure of an alphavirus, Getah virus | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Liu, Z, Liu, C, Wang, A. | Deposit date: | 2021-07-15 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy. Cell Discov, 8, 2022
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4ZS3
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![BU of 4zs3 by Molmil](/molmil-images/mine/4zs3) | Structural complex of 5-aminofluorescein bound to the FTO protein | Descriptor: | 2-OXOGLUTARIC ACID, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | Authors: | Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. | Deposit date: | 2015-05-13 | Release date: | 2015-11-04 | Last modified: | 2015-11-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein J.Am.Chem.Soc., 137, 2015
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4ZS2
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![BU of 4zs2 by Molmil](/molmil-images/mine/4zs2) | Structural complex of FTO/fluorescein | Descriptor: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | Authors: | Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. | Deposit date: | 2015-05-13 | Release date: | 2015-11-04 | Last modified: | 2015-11-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein J.Am.Chem.Soc., 137, 2015
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4KMA
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4KMH
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5B64
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![BU of 5b64 by Molmil](/molmil-images/mine/5b64) | A novel binding mode of MAGUK GK domain revealed by DLG GK domain in complex with KIF13B MBS domain | Descriptor: | DLG GK, GLYCEROL, Protein Kif13b, ... | Authors: | Shang, Y, Zhu, J, Zhang, M. | Deposit date: | 2016-05-24 | Release date: | 2016-10-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An Atypical MAGUK GK Target Recognition Mode Revealed by the Interaction between DLG and KIF13B Structure, 24, 2016
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4KM9
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4KMD
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![BU of 4kmd by Molmil](/molmil-images/mine/4kmd) | Crystal structure of Sufud60-Gli1p | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Sufu, ... | Authors: | Zhang, Y, Qi, X, Zhang, Z, Wu, G. | Deposit date: | 2013-05-08 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci. Nat Commun, 4, 2013
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4KM8
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![BU of 4km8 by Molmil](/molmil-images/mine/4km8) | Crystal structure of Sufud60 | Descriptor: | Suppressor of fused homolog | Authors: | Zhang, Y, Qi, X, Zhang, Z, Wu, G. | Deposit date: | 2013-05-08 | Release date: | 2013-11-20 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci. Nat Commun, 4, 2013
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