6Q1F
| Atomic structure of the Human Herpesvirus 6B Capsid and Capsid-Associated Tegument Complexes | Descriptor: | Large structural phosphoprotein, Major capsid protein, Small capsomere-interacting protein, ... | Authors: | Zhang, Y.B, Liu, W, Li, Z.H, Kumar, V, Alvarez-Cabrera, A.L, Leibovitch, E, Cui, Y.X, Mei, Y, Bi, G.Q, Jacobson, S, Zhou, Z.H. | Deposit date: | 2019-08-03 | Release date: | 2019-12-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Atomic structure of the human herpesvirus 6B capsid and capsid-associated tegument complexes. Nat Commun, 10, 2019
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2VLC
| Crystal structure of Natural Cinnamomin (Isoform III) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein, beta-D-mannopyranose, ... | Authors: | Azzi, A, Wang, T, Zhu, D.-W, Zou, Y.-S, Liu, W.-Y, Lin, S.-X. | Deposit date: | 2008-01-11 | Release date: | 2009-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of Native Cinnamomin Isoform III and its Comparison with Other Ribosome Inactivating Proteins. Proteins: Struct., Funct., Bioinf., 74, 2009
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5U16
| Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR | Descriptor: | 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Keller, A.N, Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2016-11-27 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells. Nat. Immunol., 18, 2017
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5M4Z
| Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate | Descriptor: | GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | Deposit date: | 2016-10-19 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.179 Å) | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies. Int J Mol Sci, 22, 2021
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6PS4
| XFEL beta2 AR structure by ligand exchange from Timolol to ICI-118551. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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8QUC
| Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1 | Descriptor: | (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B. | Deposit date: | 2023-10-16 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels. Nat Commun, 15, 2024
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2V83
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1Z6J
| Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor | Descriptor: | 5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE, CALCIUM ION, Coagulation factor VII, ... | Authors: | Schweitzer, B.A, Neumann, W.L, Rahman, H.K, Kusturin, C.L, Sample, K.R, Poda, G.I, Kurumbail, R.G, Stevens, A.M, Stegeman, R.A, Stallings, W.C. | Deposit date: | 2005-03-22 | Release date: | 2005-05-03 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa. Bioorg.Med.Chem.Lett., 15, 2005
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5M70
| Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2016-10-26 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
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1ZHL
| Crystal structure of HLA-B*3508 presenting 13-mer EBV antigen LPEPLPQGQLTAY | Descriptor: | Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ... | Authors: | Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J. | Deposit date: | 2005-04-26 | Release date: | 2005-05-17 | Last modified: | 2014-04-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance J.Biol.Chem., 280, 2005
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8QAW
| Medicago truncatula HISN5 (IGPD) in complex with MN, IMD, EDO, FMT, GOL and TRS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Witek, W, Ruszkowski, M. | Deposit date: | 2023-08-23 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting. Front Plant Sci, 15, 2024
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5M8N
| Crystal structure of human tyrosinase related protein 1 in complex with mimosine | 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-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | Deposit date: | 2016-10-29 | Release date: | 2017-07-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis. Angew. Chem. Int. Ed. Engl., 56, 2017
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2KA9
| Solution structure of PSD-95 PDZ12 complexed with cypin peptide | Descriptor: | Disks large homolog 4, cypin peptide | Authors: | Wang, W.N, Weng, J.W, Zhang, X, Liu, M.L, Zhang, M.J. | Deposit date: | 2008-11-03 | Release date: | 2009-06-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Creating conformational entropy by increasing interdomain mobility in ligand binding regulation: a revisit to N-terminal tandem PDZ domains of PSD-95 J.Am.Chem.Soc., 131, 2009
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6PS8
| XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin. | Descriptor: | Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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1FI1
| FhuA in complex with lipopolysaccharide and rifamycin CGP4832 | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | Authors: | Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W. | Deposit date: | 2000-08-03 | Release date: | 2001-08-29 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA. Structure, 9, 2001
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5MD9
| The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=6 | Descriptor: | Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | Deposit date: | 2016-11-10 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions. Science, 354, 2016
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8QAY
| Medicago truncatula HISN5 (IGPD) in complex with MN, FMT, ACT, CIT, EDO, SO4 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CITRIC ACID, ... | Authors: | Witek, W, Ruszkowski, M. | Deposit date: | 2023-08-23 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting imidazole-glycerol phosphate dehydratase in plants: novel approach for structural and functional studies, and inhibitor blueprinting. Front Plant Sci, 15, 2024
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5MD7
| The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=-12 | Descriptor: | Capsid protein p24 | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | Deposit date: | 2016-11-10 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions. Science, 354, 2016
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5MD3
| The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=12 | Descriptor: | Capsid protein p24 | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | Deposit date: | 2016-11-10 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.5 Å) | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions. Science, 354, 2016
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5MDE
| The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=23, twist=0 | Descriptor: | Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain | Authors: | Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G. | Deposit date: | 2016-11-10 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | The structure and flexibility of conical HIV-1 capsids determined within intact virions. Science, 354, 2016
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3IK9
| Human GST A1-1-GIMF with GSDHN | Descriptor: | (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid, Glutathione S-transferase A1 | Authors: | Balogh, L.M, Le Trong, I, Atkins, W.M, Stenkamp, R.E. | Deposit date: | 2009-08-05 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate specificity combined with stereopromiscuity in glutathione transferase A4-4-dependent metabolism of 4-hydroxynonenal. Biochemistry, 49, 2010
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8TWZ
| ELIC with Propylamine in spNW15 nanodiscs with 2:1:1 POPC:POPE:POPG | Descriptor: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | Deposit date: | 2023-08-21 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel. Nat Commun, 15, 2024
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4Q6Q
| Structural analysis of the Zn-form II of Helicobacter pylori Csd4, a D,L-carboxypeptidase | Descriptor: | 2,6-DIAMINOPIMELIC ACID, CALCIUM ION, Conserved hypothetical secreted protein, ... | Authors: | Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W. | Deposit date: | 2014-04-23 | Release date: | 2014-11-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape Acta Crystallogr.,Sect.D, 70, 2014
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4Q7O
| The crystal structure of an immunity protein NMB0503 from Neisseria meningitidis MC58 | Descriptor: | BROMIDE ION, FORMIC ACID, Immunity protein | Authors: | Tan, K, Stols, L, Eschenfeldt, W, Babnigg, G, Low, D.A, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | Deposit date: | 2014-04-25 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of a contact-dependent growth-inhibition (CDI) immunity protein from Neisseria meningitidis MC58. Acta Crystallogr F Struct Biol Commun, 71, 2015
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8TWV
| ELIC5 with Propylamine in spNW15 nanodiscs with 2:1:1 POPC:POPE:POPG | Descriptor: | 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1 | Authors: | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | Deposit date: | 2023-08-21 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel. Nat Commun, 15, 2024
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