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3P2H
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BU of 3p2h by Molmil
Crystal structure of TofI in a ternary complex with an inhibitor and MTA
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, AHL synthase, N-(3-oxocyclohex-1-en-1-yl)octanamide
著者Yu, S, Rhee, S.
登録日2010-10-02
公開日2011-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011
4L3O
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BU of 4l3o by Molmil
Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent protein deacetylase sirtuin-2, ...
著者Yamagata, K, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2013-06-06
公開日2014-02-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.518 Å)
主引用文献Structural Basis for Potent Inhibition of SIRT2 Deacetylase by a Macrocyclic Peptide Inducing Dynamic Structural Change
Structure, 22, 2013
6XS8
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BU of 6xs8 by Molmil
Crystal structure of Chaetomium thermophilum Vps29 complexed with RaPID-derived cyclic peptide RT-D3
分子名称: 48V-DTY-GLY-TYR-ASP-PRO-LEU-GLY-LEU-LYS-TYR-PHE-ALA, Vacuolar protein sorting-associated protein 29
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95009851 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS7
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BU of 6xs7 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D2
分子名称: 48V-DTY-THR-THR-ILE-TYR-TRP-THR-PRO-LEU-GLY-THR-PHE-PRO-ARG-ILE-ARG, FORMIC ACID, GLYCEROL, ...
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XSA
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BU of 6xsa by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L2
分子名称: 48V-TYR-LEU-PRO-THR-ILE-THR-GLY-VAL-GLY-HIS-LEU-TRP-HIS-PRO-LEU, SULFATE ION, Vacuolar protein sorting-associated protein 29
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS5
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BU of 6xs5 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D1
分子名称: 48V-DTY-ILE-ILE-ASP-THR-PRO-LEU-GLY-VAL-PHE-LEU-SER-SER-LEU-LYS-ARG, FORMIC ACID, GLYCEROL, ...
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS9
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BU of 6xs9 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L1
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 48V-TYR-ILE-LYS-THR-PRO-LEU-GLY-THR-PHE-PRO-ASN-ARG-HIS-GLY, GLYCEROL, ...
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
5B4W
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BU of 5b4w by Molmil
Crystal structure of Plexin inhibitor complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-B1, Synthesized cyclic peptide
著者Matsunaga, Y, Kitago, Y, Arimori, T, Takagi, J.
登録日2016-04-19
公開日2016-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric Inhibition of a Semaphorin 4D Receptor Plexin B1 by a High-Affinity Macrocyclic Peptide
Cell Chem Biol, 23, 2016
5VXB
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BU of 5vxb by Molmil
Crystal structure of Caulobacter crescentus ProXp-ala at 1.69 Angstrom
分子名称: ProXp-ala
著者Foster, M.P, Musier-Forsyth, K, Nakanishi, K, Ma, X.
登録日2017-05-23
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Conformational and chemical selection by a trans-acting editing domain.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KEZ
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BU of 5kez by Molmil
Selective and potent inhibition of the glycosidase human amylase by the short and extremely compact peptide piHA from mRNA display
分子名称: ACE-DTY-PRO-TYR-SER-CYS-TRP-VAL-ARG-HIS-NH2, CALCIUM ION, CHLORIDE ION, ...
著者Caner, S, Brayer, G.D.
登録日2016-06-10
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides.
Cell Chem Biol, 24, 2017
5LY1
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BU of 5ly1 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
分子名称: CHLORIDE ION, CP2, GLYCEROL, ...
著者King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
7TO9
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BU of 7to9 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.4xE (diAcK.4xE)
分子名称: 2xAcK.4xE (diAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
著者Mackay, J.P, Low, J.K.K, Patel, K.
登録日2022-01-23
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TOA
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BU of 7toa by Molmil
BRD3-BD1 in complex with RaPID linear peptide 3xAcK.1 (triAcK.1)
分子名称: 3xAcK.1 (triAcK.1), Bromodomain-containing protein 3, GLYCEROL
著者Patel, K, Low, J.K.K, Mackay, J.P.
登録日2022-01-23
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TO8
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BU of 7to8 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.1 (diAcK.1)
分子名称: 2xAcK.1 (diAcK.1), Bromodomain-containing protein 3, GLYCEROL
著者Patel, K, Low, J.K.K, Mackay, J.P.
登録日2022-01-23
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TO7
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BU of 7to7 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 1xAcK.4XE (monoAcK.4xE)
分子名称: 1xAcK.4xE (monoAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
著者Mackay, J.P, Low, J.K.K, Patel, K.
登録日2022-01-23
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
6ULQ
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BU of 6ulq by Molmil
BRD2-BD1 in complex with the cyclic peptide 4.2_3
分子名称: Bromodomain-containing protein 2, Cyclic peptide 4.2_3
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
登録日2019-10-08
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ULP
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BU of 6ulp by Molmil
BRD3-BD2 in complex with the cyclic peptide 3.2_3
分子名称: Bromodomain-containing protein 3, Cyclic peptide 3.2_3
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
登録日2019-10-08
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ULV
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BU of 6ulv by Molmil
BRD4-BD1 in complex with the cyclic peptide 4.2_1
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bromodomain-containing protein 4, Cyclic peptide 4.2_3, ...
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
登録日2019-10-08
公開日2020-12-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U74
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BU of 6u74 by Molmil
BRD4-BD1 in complex with the cyclic peptide 3.1_2
分子名称: Bromodomain-containing protein 4, cyclic peptide 3.1_2
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
登録日2019-08-31
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U8I
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BU of 6u8i by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.2_2
分子名称: AMINO GROUP, Bromodomain-containing protein 4, cyclic peptide 3.2_2
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
登録日2019-09-05
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ULT
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BU of 6ult by Molmil
BRD2-BD2 in complex with the cyclic peptide 4.2_3
分子名称: Bromodomain-containing protein 2, Cyclic peptide 4.2_3
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
登録日2019-10-08
公開日2021-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
8CV7
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BU of 8cv7 by Molmil
Peptide 2.2E in complex with BRD2-BD2
分子名称: ACETYL GROUP, AMINO GROUP, Isoform 3 of Bromodomain-containing protein 2, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
8CV6
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BU of 8cv6 by Molmil
Peptide 4.2B in complex with BRD4.2
分子名称: ACETYL GROUP, AMINO GROUP, BRD4 protein, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
8CV4
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BU of 8cv4 by Molmil
Peptide 4.2C in complex with BRD4.2
分子名称: ACETYL GROUP, AMINO GROUP, BRD4 protein, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
8CV5
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BU of 8cv5 by Molmil
Peptide 4.2B in complex with BRD3.2
分子名称: ACETYL GROUP, AMINO GROUP, Bromodomain-containing protein 3, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023

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