7ZJ6
 
 | | X-31 Hemagglutinin Precursor HA0 at pH 7.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ... | | Authors: | Garcia-Moro, E, Rosenthal, P.B. | | Deposit date: | 2022-04-08 | | Release date: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1ZGQ
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5MH2
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6BU0
 | | Crystal structure of the PI3KC2alpha C2 domain in complex with IP6 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, FORMIC ACID, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Chen, K.-E, Collins, B.M. | | Deposit date: | 2017-12-08 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.427 Å) | | Cite: | Molecular Basis for Membrane Recruitment by the PX and C2 Domains of Class II Phosphoinositide 3-Kinase-C2 alpha.
Structure, 26, 2018
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5MH6
 | | D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 A resolution) | | Descriptor: | 1,2-ETHANEDIOL, 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, ... | | Authors: | Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J. | | Deposit date: | 2016-11-23 | | Release date: | 2018-06-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
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5MMB
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ434 (compound 6p) | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), GLYCEROL, ... | | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2016-12-09 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
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2OXP
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7ZJ7
 | | X-31 Hemagglutinin Precursor HA0 at pH 4.8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ... | | Authors: | Garcia-Moro, E, Rosenthal, P.B. | | Deposit date: | 2022-04-08 | | Release date: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7LDD
 | | native AMPA receptor | | Descriptor: | 11B8 scFv, 15F1 Fab heavy chain, 15F1 Fab light chain, ... | | Authors: | Yu, J, Rao, P, Gouaux, E. | | Deposit date: | 2021-01-13 | | Release date: | 2021-05-12 | | Last modified: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Hippocampal AMPA receptor assemblies and mechanism of allosteric inhibition.
Nature, 594, 2021
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7ZFV
 | | BRD4 in complex with PepLite-Ala | | Descriptor: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-04-01 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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4AK2
 | | Structure of BT4661, a SusE-like surface located polysaccharide binding protein from the Bacteroides thetaiotaomicron heparin utilisation locus | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, BT_4661, SODIUM ION | | Authors: | Lowe, E.C, Basle, A, Czjzek, M, Thomas, S, Murray, H, Firbank, S.J, Bolam, D.N. | | Deposit date: | 2012-02-21 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | How members of the human gut microbiota overcome the sulfation problem posed by glycosaminoglycans.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7ZJ8
 | | X-31 Hemagglutinin Precursor HA0 at pH 7.5 after reneutralization | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,Fibritin, ... | | Authors: | Garcia-Moro, E, Rosenthal, P.B. | | Deposit date: | 2022-04-08 | | Release date: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Reversible structural changes in the influenza hemagglutinin precursor at membrane fusion pH.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4APP
 | | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide | | Descriptor: | GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4 | | Authors: | Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W. | | Deposit date: | 2012-04-04 | | Release date: | 2012-06-06 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
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4AUN
 | | Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | | Authors: | Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2012-05-18 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
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4K71
 | | Crystal structure of a high affinity Human Serum Albumin variant bound to the Neonatal Fc Receptor | | Descriptor: | Beta-2-microglobulin, IgG receptor FcRn large subunit p51, SULFATE ION, ... | | Authors: | Schmidt, M.M, Townson, S.A, Andreucci, A, Dombrowski, C, Erbe, D.V, King, B, Kovalchin, J.T, Masci, A, Murillo, A, Schirmer, E.B, Furfine, E.S, Barnes, T.M. | | Deposit date: | 2013-04-16 | | Release date: | 2013-10-23 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of an HSA/FcRn complex reveals recycling by competitive mimicry of HSA ligands at a pH-dependent hydrophobic interface.
Structure, 21, 2013
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1N14
 | | Structure and Dynamics of Thioguanine-modified Duplex DNA in Comparison with Unmodified DNA; Structure of Unmodified Duplex DNA | | Descriptor: | 5'-D(*GP*CP*TP*AP*AP*GP*GP*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3' | | Authors: | Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W. | | Deposit date: | 2002-10-16 | | Release date: | 2002-10-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of thioguanine-modified duplex DNA
J.Biol.Chem., 278, 2003
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7ZFO
 | | BRD4 in complex with FragLite28 | | Descriptor: | 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-04-01 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7ZG1
 | | BRD4 in complex with PepLite-Tyr | | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-04-01 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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5MLQ
 | | Structure of CDPS from Nocardia brasiliensis | | Descriptor: | CDPS, CITRIC ACID | | Authors: | Bourgeois, G, Seguin, J, Moutiez, M, Babin, M, Belin, P, Mechulam, Y, Gondry, M, Schmitt, E. | | Deposit date: | 2016-12-07 | | Release date: | 2018-05-02 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Structural basis for partition of the cyclodipeptide synthases into two subfamilies.
J.Struct.Biol., 203, 2018
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4GYG
 | | Crystal structure of the Rio2 kinase from Chaetomium thermophilum | | Descriptor: | Rio2 kinase | | Authors: | Ferreira-Cerca, S, Sagar, V, Schafer, T, Diop, M, Wesseling, A.M, Lu, H, Chai, E, Hurt, E, LaRonde-LeBlanc, N. | | Deposit date: | 2012-09-05 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.482 Å) | | Cite: | ATPase-dependent role of the atypical kinase Rio2 on the evolving pre-40S ribosomal subunit.
Nat.Struct.Mol.Biol., 19, 2012
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6C04
 | | Mtb RNAP Holo/RbpA/double fork DNA -closed clamp | | Descriptor: | DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M. | | Deposit date: | 2017-12-27 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018
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4AE1
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4AJ9
 | | Catalase 3 from Neurospora crassa | | Descriptor: | ACETATE ION, CATALASE-3, PENTAETHYLENE GLYCOL, ... | | Authors: | Zarate-Romero, A, Rudino-Pinera, E. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
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1XMN
 | | Crystal structure of thrombin bound to heparin | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ... | | Authors: | Carter, W.J, Cama, E, Huntington, J.A. | | Deposit date: | 2004-10-04 | | Release date: | 2004-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of thrombin bound to heparin
J.Biol.Chem., 280, 2005
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5ZHE
 | | STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981 | | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | | Authors: | Gao, J, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-03-13 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
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