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7NQJ
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BU of 7nqj by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ...
著者Chung, C.
登録日2021-03-01
公開日2021-04-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.734 Å)
主引用文献Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
7NQ1
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BU of 7nq1 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-((S)-hydroxy(phenyl)methyl)-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-2,4-dicarboxamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
著者Chung, C.
登録日2021-02-28
公開日2021-07-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 64, 2021
7NPZ
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BU of 7npz by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-N5-cyclopropyl-N3-methyl-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-3,5-dicarboxamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide
著者Chung, C.
登録日2021-02-28
公開日2021-07-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 64, 2021
7NPY
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BU of 7npy by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-benzyl-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-2,4-dicarboxamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide
著者Chung, C.
登録日2021-02-28
公開日2021-07-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 64, 2021
7NQ2
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BU of 7nq2 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N4-cyclopropyl-N2-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide
著者Chung, C.
登録日2021-02-28
公開日2021-07-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 64, 2021
7NQ0
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BU of 7nq0 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH oxabicyclo(hexan-6-yl)-N2-methyl-6-((S)-1-phenylethyl)pyridine-2,4-dicarboxamide
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Bromodomain-containing protein 2, ...
著者Chung, C.
登録日2021-02-28
公開日2021-07-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 64, 2021
7NQ3
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BU of 7nq3 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N4-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-6-((S)-methoxy(phenyl)methyl)-N2-methylpyridine-2,4-dicarboxamide
分子名称: 1,2-ETHANEDIOL, 6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide, Bromodomain-containing protein 2
著者Chung, C.
登録日2021-02-28
公開日2021-07-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins.
J.Med.Chem., 64, 2021
7NQ8
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BU of 7nq8 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
著者Chung, C.W.
登録日2021-03-01
公開日2021-03-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
7NQI
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BU of 7nqi by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
分子名称: 1,2-ETHANEDIOL, 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide, Bromodomain-containing protein 2
著者Chung, C.W.
登録日2021-03-01
公開日2021-03-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
7NQ9
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BU of 7nq9 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
分子名称: 1,2-ETHANEDIOL, 6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide, Bromodomain-containing protein 2
著者Chung, C.W.
登録日2021-03-01
公開日2021-03-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
7S58
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BU of 7s58 by Molmil
Crystal Structure of the tick evasin EVA-P974 complexed to human chemokine CCL7
分子名称: C-C motif chemokine 7, Evasin P974
著者Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2021-09-10
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
1VPC
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BU of 1vpc by Molmil
C-TERMINAL DOMAIN (52-96) OF THE HIV-1 REGULATORY PROTEIN VPR, NMR, 1 STRUCTURE
分子名称: VPR PROTEIN
著者Schueler, W, De Rocquigny, H, Baudat, Y, Sire, J, Roques, B.P.
登録日1998-02-20
公開日1999-03-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the (52-96) C-terminal domain of the HIV-1 regulatory protein Vpr: molecular insights into its biological functions.
J.Mol.Biol., 285, 1999
7S4N
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BU of 7s4n by Molmil
Crystal structure of the tick evasin EVA-P974 complexed to human chemokine CCL17
分子名称: C-C motif chemokine 17, Evasin P974
著者Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2021-09-09
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
4UYG
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BU of 4uyg by Molmil
C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)
分子名称: 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION
著者Chung, C, Bamborough, P, Gosmini, R.
登録日2014-08-31
公開日2014-10-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
4H3B
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BU of 4h3b by Molmil
Crystal Structure of JNK3 in Complex with SAB Peptide
分子名称: Mitogen-activated protein kinase 10, SH3 domain-binding protein 5
著者Nwachukwu, J.C, Laughlin, J.D, Figuera-Losada, M, Cherry, L, Nettles, K.W, LoGrasso, P.V.
登録日2012-09-13
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases.
Structure, 20, 2012
7S5A
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BU of 7s5a by Molmil
Crystal structure of human chemokine CCL8
分子名称: C-C motif chemokine 8
著者Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2021-09-10
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SDN
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BU of 7sdn by Molmil
[C:Ag+:U] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4.32 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7SDF
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BU of 7sdf by Molmil
[C:Ag+:S] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(IMC)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7SDG
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BU of 7sdg by Molmil
[C:Ag+:C] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*CP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.63 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7SDY
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BU of 7sdy by Molmil
[C:Hg2+:U] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*UP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4.45 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7SGB
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BU of 7sgb by Molmil
[C-C] DNA mismatch in a self-assembling rhombohedral lattice at pH 5.5
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*CP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Sha, R, Seeman, N.C.
登録日2021-10-05
公開日2022-10-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (5.2 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7SGA
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BU of 7sga by Molmil
[C-S] DNA mismatch in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(IMC)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Vecchioni, S, Lu, B, Bernfeld, W, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-10-05
公開日2022-10-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7SE2
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BU of 7se2 by Molmil
[C:Ag+:mC] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(5CM)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4.03 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7SDS
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BU of 7sds by Molmil
[C:Ag+:T] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7DRE
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BU of 7dre by Molmil
Cryo-EM structure of DfgA-B at 2.54 angstrom resolution
分子名称: DfgB, Sugar phosphate isomerase/epimerase
著者Mori, T, Moriya, T, Adachi, N, Senda, T, Abe, I.
登録日2020-12-28
公開日2021-12-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021

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