3Q9U
 
 | | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-01-10 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
|
|
3Q9N
 | | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | | Descriptor: | CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ... | | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-01-09 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
|
|
7BPL
 | | Solution NMR structure of NF1; de novo designed protein with a novel fold | | Descriptor: | NF1 | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
|
|
3QA9
 | |
1OVV
 | |
1OVU
 | |
1OVR
 | | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Mn(II)-DF1-L13 | | Descriptor: | MANGANESE (II) ION, four-helix bundle model di-Mn(II)-DF1-L13 | | Authors: | Di Costanzo, L, Geremia, S. | | Deposit date: | 2003-03-27 | | Release date: | 2004-05-18 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography.
J.Am.Chem.Soc., 127, 2005
|
|
8IJW
 | | Cryo-EM structure of the gastric proton pump with bound DQ-06 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | | Deposit date: | 2023-02-28 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
|
|
8IJX
 | | Cryo-EM structure of the gastric proton pump with bound DQ-18 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | | Deposit date: | 2023-02-28 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.08 Å) | | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
|
|
8IJV
 | | Cryo-EM structure of the gastric proton pump with bound DQ-02 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine, ... | | Authors: | Abe, K, Yokoshima, S, Yoshimori, A. | | Deposit date: | 2023-02-28 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
|
|
2MN4
 | | NMR solution structure of a computational designed protein based on structure template 1cy5 | | Descriptor: | Computational designed protein based on structure template 1cy5 | | Authors: | Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H. | | Deposit date: | 2014-03-28 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
|
|
6L63
 | | Human Coagulation Factor XIIa (FXIIa) bound with the macrocyclic peptide F3 containing two (1S,2S)-2-ACHC residues | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL GROUP, ... | | Authors: | Sengoku, T, Katoh, T, Hirata, K, Suga, H, Ogata, K. | | Deposit date: | 2019-10-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Ribosomal synthesis and de novo discovery of bioactive foldamer peptides containing cyclic beta-amino acids.
Nat.Chem., 12, 2020
|
|
4ZN8
 | |
5BOP
 | | Crystal structure of the artificial nanobody octarellinV.1 complex | | Descriptor: | Nanobody, Octarellin V.1 | | Authors: | Figueroa, M, Sleutel, M, Pardon, E, Steyaert, J, Martial, J.A, van de Weerdt, C. | | Deposit date: | 2015-05-27 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
|
|
1QP6
 | | SOLUTION STRUCTURE OF ALPHA2D | | Descriptor: | PROTEIN (ALPHA2D) | | Authors: | Hill, R.B, DeGrado, W.F. | | Deposit date: | 1999-06-01 | | Release date: | 1999-06-09 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Alpha2D, A Nativelike De Novo Designed Protein
J.Am.Chem.Soc., 120, 1998
|
|
6RA4
 | | Human ARGONAUTE-2 PAZ DOMAIN (214-347) IN COMPLEX WITH CGUGACUCU | | Descriptor: | GLYCEROL, Protein argonaute-2, RNA (5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3') | | Authors: | Rondeau, J.-M, Bourgier, E. | | Deposit date: | 2019-04-05 | | Release date: | 2019-05-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | How to Computationally Stack the Deck for Hit-to-Lead Generation: In Silico Molecular Interaction Energy Profiling for de Novo siRNA Guide Strand Surrogate Selection.
J.Chem.Inf.Model., 59, 2019
|
|
7A4Y
 | | Crystal structure of the P5P6 coiled-coil in complex with nanobody Nb34. | | Descriptor: | 1,2-ETHANEDIOL, Coiled-coil P5 peptide, Coiled-coil P6 peptide, ... | | Authors: | Hadzi, S. | | Deposit date: | 2020-08-20 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.157 Å) | | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7A4T
 | | Crystal structure of the GCN coiled-coil in complex with nanobody Nb39 | | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, GCN4 isoform 1, ... | | Authors: | Hadzi, S. | | Deposit date: | 2020-08-20 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.124 Å) | | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7A50
 | | Crystal structure of the APH coiled-coil in complex with nanobody Nb26 | | Descriptor: | 1,2-ETHANEDIOL, Coiled-coil APH, Nanobody Nb26 | | Authors: | Hadzi, S. | | Deposit date: | 2020-08-20 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7A4D
 | |
7A48
 | | Crystal structure of the APH coiled-coil in complex with Nb49 | | Descriptor: | APH colied-coil, Nanobody 49 | | Authors: | Hadzi, S. | | Deposit date: | 2020-08-19 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.547 Å) | | Cite: | A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
4F2V
 | | Crystal Structure of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR165 | | Descriptor: | DI(HYDROXYETHYL)ETHER, DODECYL-ALPHA-D-MALTOSIDE, De novo designed serine hydrolase | | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-05-08 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
|
|
2K6R
 | | Protein folding on a highly rugged landscape: Experimental observation of glassy dynamics and structural frustration | | Descriptor: | Full Sequence Design 1 Synthetic Superstable | | Authors: | Sadqi, M, de Alba, E, Perez-Jimenez, R, Sanchez-Ruiz, J.M, Munoz, V. | | Deposit date: | 2008-07-18 | | Release date: | 2009-06-16 | | Last modified: | 2016-06-08 | | Method: | SOLUTION NMR | | Cite: | A designed protein as experimental model of primordial folding
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
2N4E
 | | Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34 | | Descriptor: | OR34 | | Authors: | Liu, G, Chan, K, Basanta, B, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-06-17 | | Release date: | 2015-12-09 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
To be Published
|
|
2N41
 | | Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34 | | Descriptor: | OR34 | | Authors: | Liu, G, Chan, K, Basanta, B, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-06-16 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34
To be Published
|
|
