7CXV
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![BU of 7cxv by Molmil](/molmil-images/mine/7cxv) | Crystal structure of CmnK | Descriptor: | CmnK | Authors: | Chang, C.Y, Hsu, S.H. | Deposit date: | 2020-09-02 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis. Biochemistry, 60, 2021
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7CXU
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![BU of 7cxu by Molmil](/molmil-images/mine/7cxu) | Crystal structure of CmnK in complex with NAD+ | Descriptor: | CmnK, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Chang, C.Y, Hsu, S.H. | Deposit date: | 2020-09-02 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Characterization of Enzymes Catalyzing the Formation of the Nonproteinogenic Amino Acid l-Dap in Capreomycin Biosynthesis. Biochemistry, 60, 2021
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5WCV
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3ZG6
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![BU of 3zg6 by Molmil](/molmil-images/mine/3zg6) | The novel de-long chain fatty acid function of human sirt6 | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-6, ... | Authors: | Wang, Y, Hao, Q. | Deposit date: | 2012-12-15 | Release date: | 2013-04-03 | Last modified: | 2013-04-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Sirt6 Regulates Tnf-Alpha Secretion Through Hydrolysis of Long-Chain Fatty Acyl Lysine Nature, 496, 2013
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7SI9
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![BU of 7si9 by Molmil](/molmil-images/mine/7si9) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-10-12 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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5B35
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![BU of 5b35 by Molmil](/molmil-images/mine/5b35) | Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA | Descriptor: | (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, Bacteriorhodopsin, DECANE, ... | Authors: | Mizohata, E, Nakane, T, Suzuki, M. | Deposit date: | 2016-02-10 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent Proc.Natl.Acad.Sci.USA, 113, 2016
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5B34
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![BU of 5b34 by Molmil](/molmil-images/mine/5b34) | Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with Iodine-labeled Detergent HAD13a Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA | Descriptor: | 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid, Bacteriorhodopsin, DECANE, ... | Authors: | Mizohata, E, Nakane, T. | Deposit date: | 2016-02-10 | Release date: | 2016-11-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent Proc.Natl.Acad.Sci.USA, 113, 2016
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8IGN
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![BU of 8ign by Molmil](/molmil-images/mine/8ign) | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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8IGO
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![BU of 8igo by Molmil](/molmil-images/mine/8igo) | Crystal structure of apo SARS-CoV-2 main protease | Descriptor: | 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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5XEB
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![BU of 5xeb by Molmil](/molmil-images/mine/5xeb) | Structure of the envelope glycoprotein of Dhori virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein | Authors: | Peng, R, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2017-04-03 | Release date: | 2017-10-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structures of human-infectingThogotovirusfusogens support a common ancestor with insect baculovirus Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7YPG
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5BK8
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![BU of 5bk8 by Molmil](/molmil-images/mine/5bk8) | Cancer-associated SHP2/T507K mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Yu, Z.H, Zhang, R.Y, Zhang, Z.Y. | Deposit date: | 2019-06-01 | Release date: | 2020-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic insights explain the transforming potential of the T507K substitution in the protein-tyrosine phosphatase SHP2. J.Biol.Chem., 295, 2020
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6M32
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![BU of 6m32 by Molmil](/molmil-images/mine/6m32) | Cryo-EM structure of FMO-RC complex from green sulfur bacteria | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | Authors: | Chen, J.H, Zhang, X. | Deposit date: | 2020-03-02 | Release date: | 2020-11-25 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Architecture of the photosynthetic complex from a green sulfur bacterium. Science, 370, 2020
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7DD5
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![BU of 7dd5 by Molmil](/molmil-images/mine/7dd5) | Structure of Calcium-Sensing Receptor in complex with NPS-2143 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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7DD6
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![BU of 7dd6 by Molmil](/molmil-images/mine/7dd6) | Structure of Ca2+/L-Trp-bonnd Calcium-Sensing Receptor in active 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, CALCIUM ION, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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7DD7
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![BU of 7dd7 by Molmil](/molmil-images/mine/7dd7) | Structure of Calcium-Sensing Receptor in complex with Evocalcet | Descriptor: | 2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | Deposit date: | 2020-10-27 | Release date: | 2021-06-16 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor. Sci Adv, 7, 2021
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5BQH
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![BU of 5bqh by Molmil](/molmil-images/mine/5bqh) | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | Descriptor: | (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ... | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | Deposit date: | 2015-05-29 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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5BQG
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![BU of 5bqg by Molmil](/molmil-images/mine/5bqg) | Crystal Structure of mPGES-1 Bound to an Inhibitor | Descriptor: | 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | Deposit date: | 2015-05-29 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.436 Å) | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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5BQI
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![BU of 5bqi by Molmil](/molmil-images/mine/5bqi) | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ... | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | Deposit date: | 2015-05-29 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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8X6B
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![BU of 8x6b by Molmil](/molmil-images/mine/8x6b) | Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG | Authors: | Hu, S.T, Han, P, Wang, H, Qi, J.X. | Deposit date: | 2023-11-21 | Release date: | 2024-04-24 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2. Structure, 32, 2024
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7F9O
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![BU of 7f9o by Molmil](/molmil-images/mine/7f9o) | PSI-NDH supercomplex of Barley | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X. | Deposit date: | 2021-07-04 | Release date: | 2021-12-22 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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7EW6
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![BU of 7ew6 by Molmil](/molmil-images/mine/7ew6) | Barley photosystem I-LHCI-Lhca5 supercomplex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | Deposit date: | 2021-05-24 | Release date: | 2021-12-22 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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7EU3
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![BU of 7eu3 by Molmil](/molmil-images/mine/7eu3) | Chloroplast NDH complex | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | Deposit date: | 2021-05-15 | Release date: | 2021-12-29 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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7EWK
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![BU of 7ewk by Molmil](/molmil-images/mine/7ewk) | Barley photosystem I-LHCI-Lhca6 supercomplex | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R. | Deposit date: | 2021-05-25 | Release date: | 2022-01-12 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare. Nature, 601, 2022
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7YMN
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![BU of 7ymn by Molmil](/molmil-images/mine/7ymn) | Cryo-EM structure of in vitro PHF fibril | Descriptor: | Isoform Tau-D of Microtubule-associated protein tau | Authors: | Li, X, Liu, C. | Deposit date: | 2022-07-28 | Release date: | 2022-12-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Subtle change of fibrillation condition leads to substantial alteration of recombinant Tau fibril structure. Iscience, 25, 2022
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