7MVV
 
 | | Single particle cryo-EM structure of the Chaetomium thermophilum Nup192-Nic96-Nup53-Nup145N complex (Nup192 residues 1-1756; Nic96 residues 240-301; Nup53 31-67; Nup145N 616-683) | | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP145N, Nucleoporin NUP192, ... | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-05-15 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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7MVZ
 | | Single particle cryo-EM structure of the Chaetomium thermophilum Nup188-Nic96-Nup145N complex (Nup188 residues 1-1858; Nic96 residues 240-301; Nup145N residues 640-732) | | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP145N, Nucleoporin NUP188 | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-05-15 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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7MVX
 | | Crystal structure of the Chaetomium thermophilum Nup188-Nic96 complex (Nup188 residues 1-1858; Nic96 residues 240-301) | | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP188 | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-05-15 | | Release date: | 2022-06-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (4.35 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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7MW0
 | | Crystal structure of Homo sapiens NUP93 solenoid (residues 174-819) | | Descriptor: | 1,2-ETHANEDIOL, Nuclear pore complex protein Nup93 | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-05-15 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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7MW1
 | | Crystal structure of the Homo sapiens NUP93-NUP53 complex (NUP93 residues 174-819; NUP53 residues 84-150) | | Descriptor: | Nuclear pore complex protein Nup93, Nucleoporin Nup35 | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-05-15 | | Release date: | 2022-06-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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7MVU
 | | Single particle cryo-EM structure of the Chaetomium thermophilum Nup192-Nic96 complex (Nup192 residues 1-1756; Nic96 residues 240-301) | | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP192 | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-05-15 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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7MVY
 | | Single particle cryo-EM structure of the Chaetomium thermophilum Nup188-Nic96 complex (Nup188 residues 1-1858; Nic96 residues 240-301) | | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP188 | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-05-15 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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7BHS
 | | Crystal structure of MAT2a with quinazoline fragment 2 bound in the allosteric site | | Descriptor: | 6-chloranyl-2-methoxy-4-phenyl-quinazoline, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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7BHU
 | | Crystal structure of MAT2a with elaborated fragment 26 bound in the allosteric site | | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, ... | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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7BHW
 | | Crystal structure of MAT2a bound to allosteric inhibitor (compound 29) | | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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7BHR
 | | Crystal structure of MAT2a with triazinone fragment 1 bound in the allosteric site | | Descriptor: | 4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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7BHV
 | | Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28 | | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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7BHT
 | | Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site | | Descriptor: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.052 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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7BHX
 | | Crystal structure of MAT2a bound to allosteric inhibitor (compound 31) | | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021
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7BOB
 | | Exo-beta-1,4-mannosidase Op5Man5 from Opitutaceae bacterium strain TAV5 | | Descriptor: | Endo-beta-mannanase | | Authors: | Kalyani, D.C, Reichenbach, T, Keskitalo, M.M, Conrad, J, Aspeborg, H, Divne, C. | | Deposit date: | 2021-01-24 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a homotrimeric verrucomicrobial exo - beta -1,4-mannosidase active in the hindgut of the wood-feeding termite Reticulitermes flavipes .
J Struct Biol X, 5, 2021
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5JFG
 | | Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ... | | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2016-04-19 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Humanisation of RadA from Pyrococcus furiosus
To Be Published
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6RMK
 | | Bacteriorhodopsin, dark state, cell 2, refined using the same protocol as sub-ps time delays | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | | Deposit date: | 2019-05-07 | | Release date: | 2019-06-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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1Z9M
 | | Crystal Structure of Nectin-like molecule-1 protein Domain 1 | | Descriptor: | GAPA225 | | Authors: | Dong, X, Xu, F, Gong, Y, Gao, J, Lin, P, Chen, T, Peng, Y, Qiang, B, Yuan, J, Peng, X, Rao, Z. | | Deposit date: | 2005-04-03 | | Release date: | 2006-02-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the V Domain of Human Nectin-like Molecule-1/Syncam3/Tsll1/Igsf4b, a Neural Tissue-specific Immunoglobulin-like Cell-Cell Adhesion Molecule
J.Biol.Chem., 281, 2006
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4RTH
 | | The crystal structure of PsbP from Zea mays | | Descriptor: | Membrane-extrinsic protein of photosystem II PsbP | | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | | Deposit date: | 2014-11-15 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
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7YYH
 | | Structure of the human CCANdeltaT CENP-A alpha-satellite complex | | Descriptor: | Centromere protein C, Centromere protein H, Centromere protein I, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-17 | | Release date: | 2022-05-18 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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4RTI
 | | The crystal structure of PsbP from Spinacia oleracea | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Oxygen-evolving enhancer protein 2, ... | | Authors: | Cao, P, Xie, Y, Li, M, Pan, X.W, Zhang, H.M, Zhao, X.L, Su, X.D, Cheng, T, Chang, W. | | Deposit date: | 2014-11-15 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure analysis of extrinsic PsbP protein of photosystem II reveals a manganese-induced conformational change.
Mol Plant, 8, 2015
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7YWX
 | | Structure of the human CCAN CENP-A alpha-satellite complex | | Descriptor: | Centromere protein C, Centromere protein H, Centromere protein I, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-05-18 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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5HO8
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-19 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5HO7
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-19 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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7TBK
 | | Composite structure of the dilated human nuclear pore complex (NPC) symmetric core generated with a 37A in situ cryo-ET map of CD4+ T cell NPC | | Descriptor: | NUP107 CTD, NUP107 NTD, NUP133, ... | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-12-22 | | Release date: | 2022-06-15 | | Last modified: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (37 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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