6ZG4
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![BU of 6zg4 by Molmil](/molmil-images/mine/6zg4) | Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A | Descriptor: | Muscarinic acetylcholine receptor M1,Endolysin,Muscarinic acetylcholine receptor M1, OLEIC ACID, PHOSPHATE ION, ... | Authors: | Rucktooa, P, Cooke, R.M. | Deposit date: | 2020-06-18 | Release date: | 2021-10-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease. Cell, 184, 2021
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6ZAK
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![BU of 6zak by Molmil](/molmil-images/mine/6zak) | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. | Descriptor: | Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2022-01-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. To Be Published
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4V33
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![BU of 4v33 by Molmil](/molmil-images/mine/4v33) | Crystal structure of the putative polysaccharide deacetylase BA0330 from bacillus anthracis | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, POLYSACCHARIDE DEACETYLASE-LIKE PROTEIN, ... | Authors: | Giastas, P, Andreou, A, Bouriotis, V, Eliopoulos, E. | Deposit date: | 2014-10-16 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Two Putative Polysaccharide Deacetylases are Required for Osmotic Stability and Cell Shape Maintenance in Bacillus Anthracis. J.Biol.Chem., 290, 2015
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4UUZ
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![BU of 4uuz by Molmil](/molmil-images/mine/4uuz) | MCM2-histone complex | Descriptor: | DNA REPLICATION LICENSING FACTOR MCM2, HISTONE H3, HISTONE H4 | Authors: | Richet, N, Liu, D, Legrand, P, Bakail, M, Compper, C, Besle, A, Guerois, R, Ochsenbein, F. | Deposit date: | 2014-08-01 | Release date: | 2015-02-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insight Into How the Human Helicase Subunit Mcm2 May Act as a Histone Chaperone Together with Asf1 at the Replication Fork. Nucleic Acids Res., 43, 2015
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5MFJ
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![BU of 5mfj by Molmil](/molmil-images/mine/5mfj) | Designed armadillo repeat protein YIII(Dq.V2)4CqI in complex with peptide (KR)5 | Descriptor: | (KR)5, YIII(Dq.V2)4CqI | Authors: | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | Deposit date: | 2016-11-18 | Release date: | 2017-09-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Curvature of designed armadillo repeat proteins allows modular peptide binding. J. Struct. Biol., 201, 2018
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8FAK
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![BU of 8fak by Molmil](/molmil-images/mine/8fak) | DNA replication fork binding triggers structural changes in the PriA DNA helicase that regulate the PriA-PriB replication restart pathway in E. coli | Descriptor: | DNA (5'-D(P*CP*AP*GP*AP*CP*TP*CP*AP*TP*TP*TP*AP*GP*CP*CP*CP*TP*TP*AP*TP*CP*CP*G)-3'), DNA (5'-D(P*CP*GP*GP*AP*TP*AP*AP*GP*GP*GP*CP*TP*GP*AP*GP*CP*AP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(P*TP*CP*GP*GP*CP*GP*TP*GP*CP*TP*C)-3'), ... | Authors: | Duckworth, A.T, Ducos, P.L, McMillan, S.D, Satyshur, K.A, Blumenthal, K.H, Deorio, H.R, Larson, J.A, Sandler, S.J, Grant, T, Keck, J.L. | Deposit date: | 2022-11-28 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Replication fork binding triggers structural changes in the PriA helicase that govern DNA replication restart in E. coli. Nat Commun, 14, 2023
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8FG0
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![BU of 8fg0 by Molmil](/molmil-images/mine/8fg0) | |
4UUO
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![BU of 4uuo by Molmil](/molmil-images/mine/4uuo) | |
4UTG
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![BU of 4utg by Molmil](/molmil-images/mine/4utg) | Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | Deposit date: | 2014-07-21 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery. Chem.Biol., 22, 2015
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4USM
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![BU of 4usm by Molmil](/molmil-images/mine/4usm) | WcbL complex with glycerol bound to sugar site | Descriptor: | CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE | Authors: | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | Deposit date: | 2014-07-10 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery. Chem.Biol., 22, 2015
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8FE5
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![BU of 8fe5 by Molmil](/molmil-images/mine/8fe5) | Structure of J-PKAc chimera complexed with Aplithianine B | Descriptor: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | Deposit date: | 2022-12-05 | Release date: | 2023-10-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases. J.Nat.Prod., 86, 2023
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7TJA
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![BU of 7tja by Molmil](/molmil-images/mine/7tja) | Structure of the Light Harvesting Complex PE545 from Proteomonas sulcata | Descriptor: | 15,16-DIHYDROBILIVERDIN, MAGNESIUM ION, PHYCOERYTHROBILIN, ... | Authors: | Jeffrey, P.D, Spangler, L.C, Scholes, G.D. | Deposit date: | 2022-01-15 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae. Acs Cent.Sci., 8, 2022
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8F9E
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6XLU
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![BU of 6xlu by Molmil](/molmil-images/mine/6xlu) | Structure of SARS-CoV-2 spike at pH 4.0 | 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 | Authors: | Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D. | Deposit date: | 2020-06-29 | Release date: | 2020-08-12 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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8F9S
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![BU of 8f9s by Molmil](/molmil-images/mine/8f9s) | |
8F9V
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![BU of 8f9v by Molmil](/molmil-images/mine/8f9v) | Crystal structure of Ky15.8 Fab in complex with circumsporozoite protein KQPA peptide | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein KQPA peptide, Ky15.8 Antibody, ... | Authors: | Thai, E, Prieto, K, Julien, J.P. | Deposit date: | 2022-11-24 | Release date: | 2023-11-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep, 42, 2023
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8FAN
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![BU of 8fan by Molmil](/molmil-images/mine/8fan) | Crystal structure of Ky15.1 Fab in complex with circumsporozoite protein KQPA peptide | Descriptor: | Circumsporozoite protein KQPA peptide, Ky15.1 Antibody, heavy chain, ... | Authors: | Burn Aschner, C, Thai, E, Julien, J.P. | Deposit date: | 2022-11-28 | Release date: | 2023-11-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep, 42, 2023
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8FA7
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![BU of 8fa7 by Molmil](/molmil-images/mine/8fa7) | |
6XCM
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![BU of 6xcm by Molmil](/molmil-images/mine/6xcm) | |
8F95
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![BU of 8f95 by Molmil](/molmil-images/mine/8f95) | |
8F9T
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![BU of 8f9t by Molmil](/molmil-images/mine/8f9t) | |
8F9F
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5M7M
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![BU of 5m7m by Molmil](/molmil-images/mine/5m7m) | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | Descriptor: | CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ... | Authors: | Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L. | Deposit date: | 2016-10-28 | Release date: | 2017-08-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors. J. Med. Chem., 60, 2017
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8F9W
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![BU of 8f9w by Molmil](/molmil-images/mine/8f9w) | Crystal structure of Ky15.8 Fab in complex with circumsporozoite protein NPDP peptide | Descriptor: | 1,2-ETHANEDIOL, Circumsporozoite protein NPDP peptide, Ky15.8 Antibody, ... | Authors: | Thai, E, Prieto, K, Julien, J.P. | Deposit date: | 2022-11-24 | Release date: | 2023-11-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep, 42, 2023
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8FDD
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![BU of 8fdd by Molmil](/molmil-images/mine/8fdd) | |