8ZN3
 
 | | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ... | | Authors: | Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution.
To Be Published
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6E5C
 | | Solution NMR structure of a de novo designed double-stranded beta-helix | | Descriptor: | De novo beta protein | | Authors: | Marcos, E, Chidyausiku, T.M, McShan, A, Evangelidis, T, Nerli, S, Sgourakis, N, Tripsianes, K, Baker, D. | | Deposit date: | 2018-07-19 | | Release date: | 2018-11-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | De novo design of a non-local beta-sheet protein with high stability and accuracy.
Nat. Struct. Mol. Biol., 25, 2018
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9FQ2
 | | Poliovirus 3C protease in H32 spacegroup | | Descriptor: | Protease 3C | | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | | Deposit date: | 2024-06-14 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Poliovirus 3C protease in H32 spacegroup
To Be Published
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9FS7
 | | Coxsackievirus A16 3C protease in C2 2 21 spacegroup | | Descriptor: | Genome polyprotein | | Authors: | Fairhead, M, Lithgo, R, MacLean, M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | | Deposit date: | 2024-06-20 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Coxsackievirus A16 3C protease in C2 2 21 spacegroup
To Be Published
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8V5K
 | | Structure of the Human Respirovirus 3 Fusion Protein Bound to Camelid Nanobodies 4C03 and 4C06 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Camelid Nanobody 4C03, Camelid Nanobody 4C06, ... | | Authors: | Johnson, N.V, Ramamohan, A.R, McLellan, J.S. | | Deposit date: | 2023-11-30 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis for potent neutralization of human respirovirus type 3 by protective single-domain camelid antibodies.
Nat Commun, 15, 2024
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8V62
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9FWC
 | | Coxsackievirus B3 3C protease in C121 spacegroup | | Descriptor: | Genome polyprotein | | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | | Deposit date: | 2024-06-28 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Coxsackievirus B3 3C protease in C121 spacegroup
To Be Published
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7WX7
 | | complex of a legionella acetyltransferase VipF and COA/ACO | | Descriptor: | ACETYL COENZYME *A, COENZYME A, N-acetyltransferase | | Authors: | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | | Deposit date: | 2022-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
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7WX5
 | | a Legionella acetyltransferase effector VipF | | Descriptor: | ACETYL COENZYME *A, N-acetyltransferase | | Authors: | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | | Deposit date: | 2022-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.392 Å) | | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
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3MU6
 | | Inhibiting the Binding of Class IIa Histone Deacetylases to Myocyte Enhancer Factor-2 by Small Molecules | | Descriptor: | (3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide, DNA (5'-D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3'), ... | | Authors: | Jayathilaka, N, Han, A, Gaffney, K, Dey, R, He, J, Ye, J, Gao, T, Petasis, N.A, Chen, L. | | Deposit date: | 2010-05-01 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.434 Å) | | Cite: | Inhibition of the function of class IIa HDACs by blocking their interaction with MEF2.
Nucleic Acids Res., 40, 2012
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4GQB
 | | Crystal Structure of the human PRMT5:MEP50 Complex | | Descriptor: | (2S,5S,6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3H)-ylidene]hexanoic acid, Histone H4 peptide, Methylosome protein 50, ... | | Authors: | Antonysamy, S, Bonday, Z, Campbell, R, Doyle, B, Druzina, Z, Gheyi, T, Han, B, Jungheim, L.N, Qian, Y, Rauch, C, Russell, M, Sauder, J.M, Wasserman, S.R, Weichert, K, Willard, F.S, Zhang, A, Emtage, S. | | Deposit date: | 2012-08-22 | | Release date: | 2012-10-17 | | Last modified: | 2018-11-21 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structure of the human PRMT5:MEP50 complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7E72
 | | Crystal structure of Tie2-agonistic antibody in complex with human Tie2 Fn2-3 | | Descriptor: | 1,2-ETHANEDIOL, Angiopoietin-1 receptor, the chimeric Fab fragment of 3H7 (heavy chain), ... | | Authors: | Kim, H.M, Jo, G.H, Hong, H.J, Han, A. | | Deposit date: | 2021-02-25 | | Release date: | 2021-11-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.094 Å) | | Cite: | Structural insights into the clustering and activation of Tie2 receptor mediated by Tie2 agonistic antibody.
Nat Commun, 12, 2021
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7ONS
 | | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | | Descriptor: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7ONT
 | | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | | Descriptor: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7ONR
 | | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | | Descriptor: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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2AS5
 | | Structure of the DNA binding domains of NFAT and FOXP2 bound specifically to DNA. | | Descriptor: | 5'-D(AP*AP*CP*TP*AP*TP*GP*AP*AP*AP*CP*AP*AP*AP*TP*TP*TP*TP*CP*CP*TP*)-3', 5'-D(TP*TP*AP*GP*GP*AP*AP*AP*AP*TP*TP*TP*GP*TP*TP*TP*CP*AP*TP*AP*GP*)-3', Forkhead box protein P2, ... | | Authors: | Wu, Y, Stroud, J.C, Borde, M, Bates, D.L, Guo, L, Han, A, Rao, A, Chen, L. | | Deposit date: | 2005-08-22 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | FOXP3 Controls Regulatory T Cell Function through Cooperation with NFAT.
Cell(Cambridge,Mass.), 126, 2006
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2H8N
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9BVS
 | | NMR structure of TLP-1 in solution | | Descriptor: | Temporin-1Tl | | Authors: | Jia, R, McShan, A.C. | | Deposit date: | 2024-05-20 | | Release date: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
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9BVU
 | | NMR structure of TLP-2 in solution | | Descriptor: | Temporin-1Tl | | Authors: | Jia, R, McShan, A.C. | | Deposit date: | 2024-05-20 | | Release date: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
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9BVV
 | | NMR structure of TLP-3 in solution | | Descriptor: | Temporin-1Tl | | Authors: | Jia, R, McShan, A.C. | | Deposit date: | 2024-05-20 | | Release date: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
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5ZA3
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3KOV
 | | Structure of MEF2A bound to DNA reveals a completely folded MADS-box/MEF2 domain that recognizes DNA and recruits transcription co-factors | | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte-specific enhancer factor 2A | | Authors: | Wu, Y, Dey, R, Han, A, Jayathilaka, N, Philips, M, Ye, J, Chen, L. | | Deposit date: | 2009-11-14 | | Release date: | 2010-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the MADS-box/MEF2 Domain of MEF2A Bound to DNA and Its Implication for Myocardin Recruitment.
J.Mol.Biol., 397, 2010
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7WX6
 | | A Legionella acetyltransferase VipF | | Descriptor: | CHLORAMPHENICOL, COENZYME A, N-acetyltransferase | | Authors: | Chen, T.T, Lin, Y.L, Chen, Z, Han, A.D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.273 Å) | | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
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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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