6WXP
| De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | Deposit date: | 2020-05-11 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WXO
| De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE | Descriptor: | GLYCEROL, SULFATE ION, TFD-HE | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | Deposit date: | 2020-05-11 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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7MCD
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6WVS
| Hyperstable de novo TIM barrel variant DeNovoTIM15 | Descriptor: | DeNovoTIM15 hyperstable de novo TIM barrel | Authors: | Bick, M.J, Haydon, I.C, Caldwell, S.J, Zeymer, C, Huang, P, Fernandez-Velasco, D.A, Baker, D. | Deposit date: | 2020-05-06 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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6D0T
| De novo design of a fluorescence-activating beta barrel - BB1 | Descriptor: | BB1 | Authors: | Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D. | Deposit date: | 2018-04-10 | Release date: | 2018-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
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7SMJ
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7MCC
| Crystal structure of an AI-designed TIM-barrel F2C | Descriptor: | AI-designed TIM-barrel F2C, SULFATE ION | Authors: | Mathews, I.I, Anand-Achim, N, Perez, C.P, Huang, P.S. | Deposit date: | 2021-04-02 | Release date: | 2022-01-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Protein sequence design with a learned potential. Nat Commun, 13, 2022
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7UEK
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7RA9
| Designed StabIL-2 seq1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Interleukin-2, PHOSPHATE ION | Authors: | Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C. | Deposit date: | 2021-06-30 | Release date: | 2022-03-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Interleukin-2 superkines by computational design. Proc.Natl.Acad.Sci.USA, 119, 2022
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6ZV9
| Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W) | Descriptor: | 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE | Authors: | Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C. | Deposit date: | 2020-07-24 | Release date: | 2020-11-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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8JAY
| CrtSPARTA Octamer bound with guide-target | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-07 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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4NDL
| Computational design and experimental verification of a symmetric homodimer | Descriptor: | ENH-c2b, computational designed homodimer | Authors: | Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L. | Deposit date: | 2013-10-26 | Release date: | 2014-11-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Computational design and experimental verification of a symmetric protein homodimer. Proc.Natl.Acad.Sci.USA, 112, 2015
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7RAA
| Designed StabIL-2 seq15 | Descriptor: | Interleukin-2, MAGNESIUM ION | Authors: | Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C. | Deposit date: | 2021-06-30 | Release date: | 2022-03-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Interleukin-2 superkines by computational design. Proc.Natl.Acad.Sci.USA, 119, 2022
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3DZU
| Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with BVT.13, 9-cis Retinoic Acid and NCOA2 Peptide | Descriptor: | (9cis)-retinoic acid, 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, DNA (5'-D(*DCP*DAP*DAP*DAP*DCP*DTP*DAP*DGP*DGP*DTP*DCP*DAP*DAP*DAP*DGP*DGP*DTP*DCP*DAP*DG)-3'), ... | Authors: | Chandra, V, Huang, P, Hamuro, Y, Raghuram, S, Wang, Y, Burris, T.P, Rastinejad, F. | Deposit date: | 2008-07-30 | Release date: | 2008-10-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA. Nature, 456, 2008
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3E00
| Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with GW9662, 9-cis Retinoic Acid and NCOA2 Peptide | Descriptor: | (9cis)-retinoic acid, 2-chloro-5-nitro-N-phenylbenzamide, DNA (5'-D(*DCP*DAP*DAP*DAP*DCP*DTP*DAP*DGP*DGP*DTP*DCP*DAP*DAP*DAP*DGP*DGP*DTP*DCP*DAP*DG)-3'), ... | Authors: | Chandra, V, Huang, P, Hamuro, Y, Raghuram, S, Wang, Y, Burris, T.P, Rastinejad, F. | Deposit date: | 2008-07-30 | Release date: | 2008-10-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA. Nature, 456, 2008
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3DZY
| Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with Rosiglitazone, 9-cis Retinoic Acid and NCOA2 Peptide | Descriptor: | (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ... | Authors: | Chandra, V, Huang, P, Hamuro, Y, Raghuram, S, Wang, Y, Burris, T.P, Rastinejad, F. | Deposit date: | 2008-07-30 | Release date: | 2008-10-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA. Nature, 456, 2008
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8J9G
| CrtSPARTA hetero-dimer bound with guide-target, state 1 | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-03 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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8J8H
| SPARTA monomer bound with guide-target, state 2 | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-01 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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8J9P
| SPARTA dimer bound with guide-target | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-04 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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5GM2
| Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1 | Descriptor: | (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H. | Deposit date: | 2016-07-12 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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5GM1
| Crystal structure of methyltransferase TleD complexed with SAH | Descriptor: | O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H. | Deposit date: | 2016-07-12 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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3TYG
| Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with a glycosylated engineered gp120 outer domain with miniV3 (eODmV3) | Descriptor: | Envelope glycoprotein gp160, PGT128 heavy chain, Ig gamma-1 chain C region, ... | Authors: | Pejchal, R, Huang, P.S, Schief, W.R, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2011-09-25 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | A potent and broad neutralizing antibody recognizes and penetrates the HIV glycan shield. Science, 334, 2011
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1PF8
| Crystal Structure of Human Cyclin-Dependent Kinase 2 Complexed with a Nucleoside Inhibitor | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cell division protein kinase 2 | Authors: | Moshinsky, D.J, Bellamacina, R.C, Boisvert, D.C, Huang, P, Hui, T, Jancarik, J, Kim, S.H, Rice, A.G. | Deposit date: | 2003-05-24 | Release date: | 2003-12-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | SU9516: biochemical analysis of cdk inhibition and crystal structure in complex with cdk2. Biochem.Biophys.Res.Commun., 310, 2003
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3PUM
| Crystal structure of P domain dimer of Norovirus VA207 | Descriptor: | Capsid | Authors: | Chen, Y, Tan, M, Xia, M, Hao, N, Zhang, X.C, Huang, P, Jiang, X, Li, X, Rao, Z. | Deposit date: | 2010-12-06 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Crystallography of a Lewis-binding norovirus, elucidation of strain-specificity to the polymorphic human histo-blood group antigens Plos Pathog., 7, 2011
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3PVD
| Crystal structure of P domain dimer of Norovirus VA207 complexed with 3'-sialyl-Lewis x tetrasaccharide | Descriptor: | Capsid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose | Authors: | Chen, Y, Tan, M, Xia, M, Hao, N, Zhang, X.C, Huang, P, Jiang, X, Li, X, Rao, Z. | Deposit date: | 2010-12-06 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallography of a Lewis-binding norovirus, elucidation of strain-specificity to the polymorphic human histo-blood group antigens Plos Pathog., 7, 2011
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