5A0C
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | Deposit date: | 2015-04-17 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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3MI0
| Crystal Structure of Mycobacterium Tuberculosis Proteasome at 2.2 A | Descriptor: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde, DIMETHYLFORMAMIDE, Proteasome subunit alpha, ... | Authors: | Li, D, Li, H. | Deposit date: | 2010-04-09 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the assembly and gate closure mechanisms of the Mycobacterium tuberculosis 20S proteasome. Embo J., 2010
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6ODG
| SVQIVY, Crystal Structure of a tau protein fragment | Descriptor: | Microtubule-associated protein tau | Authors: | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Seidler, P.M. | Deposit date: | 2019-03-26 | Release date: | 2019-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples. J.Biol.Chem., 294, 2019
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6OAN
| Structure of DBP in complex with human neutralizing antibody 053054 | Descriptor: | Antibody 053054 single chain variable fragment, Duffy binding surface protein region II, SULFATE ION | Authors: | Urusova, D, Tolia, N.H. | Deposit date: | 2019-03-18 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for neutralization of Plasmodium vivax by naturally acquired human antibodies that target DBP. Nat Microbiol, 4, 2019
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5IK4
| Laminin A2LG45 C-form, Apo. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Briggs, D.C, Hohenester, E, Campbell, K.P. | Deposit date: | 2016-03-03 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural basis of laminin binding to the LARGE glycans on dystroglycan. Nat.Chem.Biol., 12, 2016
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7U15
| TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type B case 2 (case 7). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U16
| TMEM106B(120-254) protofilament from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (all cases combined). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U17
| TMEM106B(120-254) T185S singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type B case 2 (case 7). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7LSA
| Ruminococcus bromii Amy12 with maltoheptaose | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Koropatkin, N.M, Cockburn, D.W, Brown, H.A, Kibler, R.D. | Deposit date: | 2021-02-18 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases. J.Struct.Biol., 213, 2021
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7U10
| TMEM106B(120-254) protofilament from progressive supranuclear palsy (PSP) case 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U11
| TMEM106B(120-254) protofilament from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U13
| TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 4) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U12
| TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U18
| TMEM106B(120-254) T185S protofilament from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (all cases combined). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TMEM106B protein | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-20 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U14
| TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type C (case 8) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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3NTQ
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3NW8
| Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, high-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75915 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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4ZRV
| Structure of cow mincle CRD complexed with trehalose mono butyrate | Descriptor: | 6-O-butanoyl-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Feinberg, H, Rambaruth, N.D.S, Taylor, M.E, Drickamer, K, Weis, W.I. | Deposit date: | 2015-05-12 | Release date: | 2016-05-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle. J.Biol.Chem., 291, 2016
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6U77
| yGsy2p in complex with small molecule | Descriptor: | 2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol, 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase isoform 2 | Authors: | Tang, B, Hurley, T.D. | Deposit date: | 2019-08-31 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery and Development of Small-Molecule Inhibitors of Glycogen Synthase. J.Med.Chem., 63, 2020
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6TZ7
| Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | Descriptor: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | Authors: | Fox III, D, Horanyi, P.S. | Deposit date: | 2019-08-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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7LSU
| Ruminococcus bromii Amy12-D392A with 63-a-D-glucosyl-maltotriose | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Koropatkin, N.M, Cockburn, D.W, Brown, H.A, Kibler, R.D. | Deposit date: | 2021-02-18 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases. J.Struct.Biol., 213, 2021
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5W8L
| Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ... | Authors: | Davies, D.R, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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7LSR
| Ruminococcus bromii Amy12-D392A with maltoheptaose | Descriptor: | CALCIUM ION, GLYCEROL, Pullulanase, ... | Authors: | Koropatkin, N.M, Cockburn, D.W, Brown, H.A, Kibler, R.D. | Deposit date: | 2021-02-18 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases. J.Struct.Biol., 213, 2021
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3NWD
| Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, low-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8803 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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1D89
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