3R15
| Structure Treponema Denticola Factor H Binding Protein | Descriptor: | Factor H binding protein, THIOCYANATE ION | Authors: | Miller, D.P, McDowell, J.V, Burgner, J, Heroux, A, Bell, J.K, Marconi, R.T. | Deposit date: | 2011-03-09 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Structure Treponema Denticola Factor H Binding Protein To be Published
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8QN6
| Amyloid-beta 40 type 2 filament from the leptomeninges of individual with Alzheimer's disease and cerebral amyloid angiopathy | Descriptor: | Amyloid-beta A4 protein | Authors: | Yang, Y, Murzin, A.S, Peak-Chew, S.Y, Franco, C, Newell, K.L, Ghetti, B, Goedert, M, Scheres, S.H.W. | Deposit date: | 2023-09-25 | Release date: | 2023-12-13 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Cryo-EM structures of A beta 40 filaments from the leptomeninges of individuals with Alzheimer's disease and cerebral amyloid angiopathy. Acta Neuropathol Commun, 11, 2023
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8TU9
| Cryo-EM structure of HGSNAT-acetyl-CoA complex at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, Enhanced green fluorescent protein,Heparan-alpha-glucosaminide N-acetyltransferase,Isoform 2 of Heparan-alpha-glucosaminide N-acetyltransferase | Authors: | Navratna, V, Kumar, A, Mosalaganti, S. | Deposit date: | 2023-08-15 | Release date: | 2024-02-07 | Last modified: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structure of the human heparan-alpha-glucosaminide N -acetyltransferase (HGSNAT). Elife, 13, 2024
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8QCL
| A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L. | Deposit date: | 2023-08-27 | Release date: | 2023-12-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol., 90, 2024
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5H40
| Crystal Structure of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans in complex with sophorose | Descriptor: | CALCIUM ION, GLYCEROL, Uncharacterized protein, ... | Authors: | Nakajima, M, Tanaka, N, Furukawa, N, Nihira, T, Kodutsumi, Y, Takahashi, Y, Sugimoto, N, Miyanaga, A, Fushinobu, S, Taguchi, H, Nakai, H. | Deposit date: | 2016-10-28 | Release date: | 2017-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanistic insight into the substrate specificity of 1,2-beta-oligoglucan phosphorylase from Lachnoclostridium phytofermentans Sci Rep, 7, 2017
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8J9C
| Crystal structure of M61 peptidase (apo-form) from Xanthomonas campestris | Descriptor: | GLYCEROL, Putative glycyl aminopeptidase, SODIUM ION, ... | Authors: | Yadav, P, Kumar, A, Jamdar, S.N, Makde, R.D. | Deposit date: | 2023-05-03 | Release date: | 2024-05-01 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a newly identified M61 family aminopeptidase with broad substrate specificity that is solely responsible for recycling acidic amino acids. Febs J., 291, 2024
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6P29
| N-demethylindolmycin synthase (PluN2) in complex with N-demethylindolmycin | Descriptor: | (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one, N-demethylindolmycin synthase (PluN2), TRIETHYLENE GLYCOL | Authors: | Du, Y.L, Higgins, M.A, Zhao, G, Ryan, K.S. | Deposit date: | 2019-05-21 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Convergent biosynthetic transformations to a bacterial specialized metabolite. Nat.Chem.Biol., 15, 2019
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8THE
| Cryo-EM structure of Pseudomonas aeruginosa TonB-dependent transporter PhuR in complex with synthetic antibody and heme | Descriptor: | (2~{R},4~{R},5~{S},6~{S})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{S})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Heme/hemoglobin uptake outer membrane receptor PhuR, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Knejski, P, Erramilli, S.K, Kossiakoff, A.A. | Deposit date: | 2023-07-15 | Release date: | 2024-01-31 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Chaperone-assisted cryo-EM structure of P. aeruginosa PhuR reveals molecular basis for heme binding. Structure, 32, 2024
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8ATL
| Discovery of IRAK4 Inhibitor 23 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-08-23 | Release date: | 2023-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.464 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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5CAA
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7QAR
| Serial crystallography structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-methyl uric acid at room temperature | Descriptor: | (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, Uricase | Authors: | Bui, S, Catapano, L, Zielinski, K, Yefanov, O, Murshudov, G.N, Oberthuer, D, Steiner, R.A. | Deposit date: | 2021-11-17 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive. Iucrj, 9, 2022
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7QBJ
| bacterial IMPDH chimera | Descriptor: | Inosine-5'-monophosphate dehydrogenase | Authors: | Labesse, G, Gelin, M, Munier-Lehmann, H, Gedeon, A, Haouz, A. | Deposit date: | 2021-11-19 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases. Protein Sci., 32, 2023
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8EAS
| Yeast VO in complex with Vma12-22p | Descriptor: | V-type proton ATPase assembly factor Vma12p, V-type proton ATPase subunit F, V-type proton ATPase subunit a, ... | Authors: | Wang, H, Bueler, S.A, Rubinstein, J.L. | Deposit date: | 2022-08-29 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis of V-ATPase V O region assembly by Vma12p, 21p, and 22p. Proc.Natl.Acad.Sci.USA, 120, 2023
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7QAB
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3AZB
| Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in complex with NAS91-11 | Descriptor: | 5-chloro-8-[(3-chlorobenzyl)oxy]quinoline, Beta-hydroxyacyl-ACP dehydratase, GLYCEROL | Authors: | Maity, K, Venkata, B.S, Kapoor, N, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2011-05-21 | Release date: | 2012-02-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the functional and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Plasmodium falciparum J.Struct.Biol., 176, 2011
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6XZ3
| Crystal structure of TLNRD1 4-helix bundle | Descriptor: | 1,2-ETHANEDIOL, Talin rod domain-containing protein 1 | Authors: | Cowell, A, Singh, A.K, Brown, D.G, Goult, B.T. | Deposit date: | 2020-02-01 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Talin rod domain-containing protein 1 (TLNRD1) is a novel actin-bundling protein which promotes filopodia formation. J.Cell Biol., 220, 2021
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8AW1
| c-MET Y1235D mutant in complex with Tepotinib | Descriptor: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, Hepatocyte growth factor receptor | Authors: | Graedler, U, Lammens, A. | Deposit date: | 2022-08-29 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding. J.Biol.Chem., 299, 2023
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5CG5
| Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION | Authors: | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | Deposit date: | 2015-07-09 | Release date: | 2015-10-14 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION | Cite: | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase J.Med.Chem., 58, 2015
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6S6Q
| Crystal structure of the LRR ectodomain of the plant membrane receptor kinase GASSHO1/SCHENGEN3 from Arabidopsis thaliana in complex with CASPARIAN STRIP INTEGRITY FACTOR 2. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LRR receptor-like serine/threonine-protein kinase GSO1, ... | Authors: | Okuda, S, Moretti, A, Hothorn, M. | Deposit date: | 2019-07-03 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Molecular mechanism for the recognition of sequence-divergent CIF peptides by the plant receptor kinases GSO1/SGN3 and GSO2. Proc.Natl.Acad.Sci.USA, 117, 2020
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6S11
| Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | Kinase Scaffold Repurposing in the Public Domain To be published
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6S14
| Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Kinase Scaffold Repurposing in the Public Domain To be published
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6P62
| HIV Env BG505 NFL TD+ in complex with antibody E70 fragment antigen binding | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env BG505 NFL TD+, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2019-05-31 | Release date: | 2019-11-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Vaccination with Glycan-Modified HIV NFL Envelope Trimer-Liposomes Elicits Broadly Neutralizing Antibodies to Multiple Sites of Vulnerability. Immunity, 51, 2019
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6XCE
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8FMU
| Crystal structure of human Brachyury G177D variant in complex with SJF-4601 | Descriptor: | N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide, T-box transcription factor T | Authors: | Bebenek, A, Linhares, B, Jaime-Figueroa, S, Butrin, A, Crews, C. | Deposit date: | 2022-12-24 | Release date: | 2024-02-28 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Development of a Small Molecule Downmodulator for the Transcription Factor Brachyury. Angew.Chem.Int.Ed.Engl., 63, 2024
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3R9U
| Thioredoxin-disulfide reductase from Campylobacter jejuni. | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase | Authors: | Osipiuk, J, Zhou, M, Kwon, K, Anderson, K.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-03-25 | Release date: | 2011-04-06 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Thioredoxin-disulfide reductase from Campylobacter jejuni. To be Published
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