3RC9
 
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3RC7
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3R3K
 | | Crystal structure of a parallel 6-helix coiled coil | | Descriptor: | 1,2-ETHANEDIOL, CChex-Phi22 helix, CHLORIDE ION, ... | | Authors: | Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L. | | Deposit date: | 2011-03-16 | | Release date: | 2011-11-16 | | Last modified: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (2.2009 Å) | | Cite: | A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
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3RIK
 | | The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease | | Descriptor: | (3S,4R,5R,6S)-1-(2-hydroxyethyl)azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ... | | Authors: | Orwig, S.D, Lieberman, R.L. | | Deposit date: | 2011-04-13 | | Release date: | 2012-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Biochemistry, 50, 2011
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3R46
 | | Crystal structure of a parallel 6-helix coiled coil CC-hex-D24 | | Descriptor: | CHLORIDE ION, GLYCEROL, SODIUM ION, ... | | Authors: | Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L. | | Deposit date: | 2011-03-17 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
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3R4A
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3RC1
 | | Crystal Structure of KijD10, a 3-ketoreductase from Actinomadura kijaniata incomplex with NADP and TDP-benzene | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, CHLORIDE ION, ... | | Authors: | Holden, H.M, Kubiak, R.L. | | Deposit date: | 2011-03-30 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
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3R48
 | | Crystal structure of a hetero-hexamer coiled coil | | Descriptor: | GLYCEROL, coiled coil helix W22-L24H, coiled coil helix Y15-L24D | | Authors: | Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L. | | Deposit date: | 2011-03-17 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.0011 Å) | | Cite: | A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
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3R4H
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3R6B
 | | Crystal Structure of Thrombospondin-1 TSR Domains 2 and 3 | | Descriptor: | 1,2-ETHANEDIOL, Thrombospondin-1 | | Authors: | Page, R.C, Klenotic, P.A, Misra, S, Silverstein, R.L. | | Deposit date: | 2011-03-21 | | Release date: | 2011-08-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Expression, purification and structural characterization of functionally replete thrombospondin-1 type 1 repeats in a bacterial expression system.
Protein Expr.Purif., 80, 2011
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3RIL
 | | The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease | | Descriptor: | (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ... | | Authors: | Orwig, S.D, Lieberman, R.L. | | Deposit date: | 2011-04-13 | | Release date: | 2012-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Biochemistry, 50, 2011
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3RA3
 | | Crystal structure of a section of a de novo design gigaDalton protein fibre | | Descriptor: | SODIUM ION, p1c, p2f | | Authors: | Zaccai, N.R, Sharp, T.H, Bruning, M, Woolfson, D.N, Brady, R.L. | | Deposit date: | 2011-03-27 | | Release date: | 2012-08-08 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Cryo-transmission electron microscopy structure of a gigadalton peptide fiber of de novo design
Proc.Natl.Acad.Sci.USA, 109, 2012
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5T9W
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 5) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, P, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5T9U
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 3) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5T9Z
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 6) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5T3S
 | | HIV gp140 trimer MD39-10MUTA in complex with Fabs PGT124 and 35022 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2016-08-26 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | HIV Vaccine Design to Target Germline Precursors of Glycan-Dependent Broadly Neutralizing Antibodies.
Immunity, 45, 2016
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5TA2
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5TA4
 | | Discovery of a Potent Cyclophilin Inhibitor (Compound 8) based on Structural Simplification of Sanglifehrin A | | Descriptor: | 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A, SULFATE ION | | Authors: | Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B. | | Deposit date: | 2016-09-09 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
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5TIU
 | | Crystal structure of SYK kinase domain with inhibitor | | Descriptor: | 5-{[(2S)-2-aminopropyl]amino}-3-(1H-indol-2-yl)pyrazine-2-carboxamide, Tyrosine-protein kinase SYK | | Authors: | Ellis, J.M, Altman, M.D, Cash, B, Haidle, A.M, Kubiak, R.L, Maddess, M.L, Yan, Y, Northrup, A.B. | | Deposit date: | 2016-10-03 | | Release date: | 2017-01-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization.
ACS Med Chem Lett, 7, 2016
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5U7G
 | | Crystal Structure of the Catalytic Core of CBP | | Descriptor: | CREB-binding protein, ZINC ION | | Authors: | Park, S, Stanfield, R.L, Martinez-Yamout, M.M, Dyson, H.J, Wilson, I.A, Wright, P.E. | | Deposit date: | 2016-12-12 | | Release date: | 2017-06-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Role of the CBP catalytic core in intramolecular SUMOylation and control of histone H3 acetylation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TTZ
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5U65
 | | Camel Nanobody VHH-5 | | Descriptor: | SULFATE ION, VHH-5 | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2016-12-07 | | Release date: | 2017-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Selection of nanobodies with broad neutralizing potential against primary HIV-1 strains using soluble subtype C gp140 envelope trimers.
Sci Rep, 7, 2017
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5U7E
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5U64
 | | Camel nanobody VHH-28 | | Descriptor: | VHH-28 | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2016-12-07 | | Release date: | 2017-09-20 | | Method: | X-RAY DIFFRACTION (1.153 Å) | | Cite: | Selection of nanobodies with broad neutralizing potential against primary HIV-1 strains using soluble subtype C gp140 envelope trimers.
Sci Rep, 7, 2017
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5U7F
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