6UG6
 
 | | C3 symmetric peptide design number 1, Sporty, crystal form 2 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, C3-1, ... | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-25 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UDW
 | | S2 symmetric peptide design number 3 crystal form 2, Lurch | | Descriptor: | S2-3, Lurch crystal form 2 | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-19 | | Release date: | 2020-09-23 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UGB
 | | C3 symmetric peptide design number 2, Baby Basil | | Descriptor: | C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ... | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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4RV1
 | | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR497. | | Descriptor: | ACETATE ION, Engineered Protein OR497 | | Authors: | Vorobiev, S, Parmeggiani, F, Seetharaman, J, Xiao, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-11-24 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.573 Å) | | Cite: | Crystal Structure of Engineered Protein OR497.
To be Published
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5TXJ
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4TUT
 | | Structure of a Prion peptide | | Descriptor: | Prion peptide: GLY-GLY-TYR-MET-LEU-GLY | | Authors: | Yu, L, Lee, S.-J, Yee, V. | | Deposit date: | 2014-06-24 | | Release date: | 2015-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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4UBY
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6UF7
 | | S2 symmetric peptide design number 5, Uncle Fester | | Descriptor: | S2-5, Uncle Fester | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-23 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UF8
 | | S2 symmetric peptide design number 6, London Bridge | | Descriptor: | S2-6, London Bridge | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-23 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UFU
 | | C2 symmetric peptide design number 1, Zappy, crystal form 1 | | Descriptor: | C2-1, Zappy, crystal form 1 | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-25 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UG3
 | | C3 symmetric peptide design number 1, Sporty, crystal form 1 | | Descriptor: | C3-1, Sporty, crystal form 1, ... | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-25 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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4ZCN
 | | Crystal structure of nvPizza2-S16S58 | | Descriptor: | IODIDE ION, SULFATE ION, nvPizza2-S16S58 | | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Zhang, K.Y.J, Tame, J.R.H. | | Deposit date: | 2015-04-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of nvPizza2-S16S58
To Be Published
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4U7P
 | | Crystal structure of DNMT3A-DNMT3L complex | | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Wang, L, Guo, X, Li, J, Xiao, J, Yin, X, He, S, Wang, J, Xu, Y. | | Deposit date: | 2014-07-31 | | Release date: | 2014-11-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.821 Å) | | Cite: | Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
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6UDR
 | | S2 symmetric peptide design number 3 crystal form 1, Lurch | | Descriptor: | S2-3, Lurch crystal form 1 | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-19 | | Release date: | 2020-09-23 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UD9
 | | S2 symmetric peptide design number 2, Morticia | | Descriptor: | S2-2, Morticia | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-19 | | Release date: | 2020-09-23 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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4U7T
 | | Crystal structure of DNMT3A-DNMT3L in complex with histone H3 | | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Guo, X, Wang, L, Yin, X, Li, J, Xiao, J, He, S, Wang, J, Xu, Y. | | Deposit date: | 2014-07-31 | | Release date: | 2014-11-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
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6UCX
 | | S2 symmetric peptide design number 1, Wednesday | | Descriptor: | S2-1, Wednesday, trifluoroacetic acid | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-18 | | Release date: | 2020-09-23 | | Last modified: | 2021-07-28 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6UDZ
 | | S2 symmetric peptide design number 4 crystal form 1, Pugsley | | Descriptor: | S2-4, Pusgley crystal form 1, trifluoroacetic acid | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-20 | | Release date: | 2020-09-23 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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4UBZ
 | | Crystal structure of a prion peptide | | Descriptor: | SODIUM ION, prion peptide | | Authors: | Yu, L, Lee, S.-J, Yee, V. | | Deposit date: | 2014-08-13 | | Release date: | 2015-05-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.001 Å) | | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
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6ANN
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7NA2
 | | HDM2 in complex with compound 56 | | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2 | | Authors: | Scapin, G. | | Deposit date: | 2021-06-19 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7NA3
 | | HDM2 in complex with compound 62 | | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Scapin, G. | | Deposit date: | 2021-06-19 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7NA1
 | | HDM2 in complex with compound 2 | | Descriptor: | 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid, CITRIC ACID, E3 ubiquitin-protein ligase Mdm2, ... | | Authors: | Scapin, G. | | Deposit date: | 2021-06-19 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7NA4
 | | HDM2 in complex with compound 63 | | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Scapin, G. | | Deposit date: | 2021-06-19 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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5LO4
 | | Engineering protein stability with atomic precision in a monomeric miniprotein | | Descriptor: | PPa-CH3 | | Authors: | Baker, E.G, Williams, C, Hudson, K.L, Bartlett, G.G, Heal, J.W, Sessions, R.B, Crump, M.P, Woolfson, D.N. | | Deposit date: | 2016-08-08 | | Release date: | 2017-05-17 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Engineering protein stability with atomic precision in a monomeric miniprotein.
Nat. Chem. Biol., 13, 2017
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