4RJV
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![BU of 4rjv by Molmil](/molmil-images/mine/4rjv) | Crystal Structure of a De Novo Designed Ferredoxin Fold, Northeast Structural Genomics Consortium (NESG) Target OR461 | Descriptor: | OR461 | Authors: | O'Connell, P.T, Lin, Y.-R, Guan, R, Koga, N, Koga, R, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-10-09 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Northeast Structural Genomics Consortium Target OR461 To be published
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2I1P
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![BU of 2i1p by Molmil](/molmil-images/mine/2i1p) | Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor-related protein 2 | Authors: | Wolf, C.A, Dancea, F, Shi, M, Bade-Noskova, V, Rueterjans, H, Kerjaschki, D, Luecke, C. | Deposit date: | 2006-08-14 | Release date: | 2007-02-13 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin. J.Biomol.Nmr, 37, 2007
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5JQZ
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![BU of 5jqz by Molmil](/molmil-images/mine/5jqz) | Designed two-ring homotetramer at 3.8A resolution | Descriptor: | De novo designed homotetramer | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Oberdorfer, G, Boyken, S.E, Chen, Z. | Deposit date: | 2016-05-05 | Release date: | 2016-06-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.83 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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6W2Q
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![BU of 6w2q by Molmil](/molmil-images/mine/6w2q) | Junction 34, DHR53-DHR4 | Descriptor: | CALCIUM ION, Junction 34 | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | Deposit date: | 2020-03-08 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modular repeat protein sculpting using rigid helical junctions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3D
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![BU of 6w3d by Molmil](/molmil-images/mine/6w3d) | Rd1NTF2_05 with long sheet | Descriptor: | Rd1NTF2_05 | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3G
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![BU of 6w3g by Molmil](/molmil-images/mine/6w3g) | Rd1NTF2_04 with long sheet | Descriptor: | Rd1NTF2_04 | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W2W
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![BU of 6w2w by Molmil](/molmil-images/mine/6w2w) | Junction 24, DHR14-DHR18 | Descriptor: | Junction 24 DHR14-DHR18 | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | Deposit date: | 2020-03-08 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Modular repeat protein sculpting using rigid helical junctions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W2R
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![BU of 6w2r by Molmil](/molmil-images/mine/6w2r) | Junction 19, DHR54-DHR79 | Descriptor: | Junction 19 DHR54-DHR79 | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | Deposit date: | 2020-03-08 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.344 Å) | Cite: | Modular repeat protein sculpting using rigid helical junctions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3F
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![BU of 6w3f by Molmil](/molmil-images/mine/6w3f) | |
6W40
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![BU of 6w40 by Molmil](/molmil-images/mine/6w40) | |
4RTD
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![BU of 4rtd by Molmil](/molmil-images/mine/4rtd) | Escherichia coli alpha-2-macroglobulin activated by porcine elastase | Descriptor: | Uncharacterized lipoprotein YfhM | Authors: | Fyfe, C.D, Grinter, R, Roszak, A.W, Josts, I, Cogdell, R.J, Walker, D. | Deposit date: | 2014-11-14 | Release date: | 2015-07-15 | Last modified: | 2015-07-29 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Structure of protease-cleaved Escherichia coli alpha-2-macroglobulin reveals a putative mechanism of conformational activation for protease entrapment. Acta Crystallogr.,Sect.D, 71, 2015
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5KCI
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![BU of 5kci by Molmil](/molmil-images/mine/5kci) | Crystal Structure of HTC1 | Descriptor: | GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ... | Authors: | Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A. | Deposit date: | 2016-06-06 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.833 Å) | Cite: | Determining crystal structures through crowdsourcing and coursework. Nat Commun, 7, 2016
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5A0E
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![BU of 5a0e by Molmil](/molmil-images/mine/5a0e) | Crystal structure of cyclophilin D in complex with CsA analogue, JW47. | Descriptor: | JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL | Authors: | Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L. | Deposit date: | 2015-04-19 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis. J.Biol.Chem., 291, 2016
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4ILS
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![BU of 4ils by Molmil](/molmil-images/mine/4ils) | Crystal structure of engineered protein. northeast structural genomics Consortium target or117 | Descriptor: | Engineered protein | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-12-31 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of engineered protein. northeast structural genomics Consortium target or117 To be Published
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4IKE
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![BU of 4ike by Molmil](/molmil-images/mine/4ike) | |
3UZJ
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![BU of 3uzj by Molmil](/molmil-images/mine/3uzj) | Designed protein KE59 R13 3/11H with benzotriazole | Descriptor: | 1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-07 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UY8
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![BU of 3uy8 by Molmil](/molmil-images/mine/3uy8) | Designed protein KE59 R5_11/5F | Descriptor: | Kemp eliminase KE59 R5_11/5F, SULFATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UXD
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![BU of 3uxd by Molmil](/molmil-images/mine/3uxd) | Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT) | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-05 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UY7
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![BU of 3uy7 by Molmil](/molmil-images/mine/3uy7) | Designed protein KE59 R1 7/10H with G130S mutation | Descriptor: | Kemp eliminase KE59 R1 7/10H, SODIUM ION, SULFATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UXA
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![BU of 3uxa by Molmil](/molmil-images/mine/3uxa) | Designed protein KE59 R1 7/10H | Descriptor: | Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-05 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UZ5
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![BU of 3uz5 by Molmil](/molmil-images/mine/3uz5) | Designed protein KE59 R13 3/11H | Descriptor: | 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION, ... | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-07 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UYC
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![BU of 3uyc by Molmil](/molmil-images/mine/3uyc) | Designed protein KE59 R8_2/7A | Descriptor: | Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-06 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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5KWD
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![BU of 5kwd by Molmil](/molmil-images/mine/5kwd) | |
8FYE
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![BU of 8fye by Molmil](/molmil-images/mine/8fye) | 4-F, 5-MeO-PyrT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | Descriptor: | 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | Deposit date: | 2023-01-26 | Release date: | 2024-05-15 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural pharmacology and therapeutic potential of 5-methoxytryptamines. Nature, 630, 2024
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8FY8
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![BU of 8fy8 by Molmil](/molmil-images/mine/8fy8) | 5-MeO-DMT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | Descriptor: | 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | Deposit date: | 2023-01-25 | Release date: | 2024-05-15 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structural pharmacology and therapeutic potential of 5-methoxytryptamines. Nature, 630, 2024
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