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5I88
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BU of 5i88 by Molmil
BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide)
分子名称: 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
2OG8
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BU of 2og8 by Molmil
crystal structure of aminoquinazoline 36 bound to Lck
分子名称: N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者Huang, X.
登録日2007-01-05
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
5I80
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BU of 5i80 by Molmil
BRD4 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4501 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I7Y
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BU of 5i7y by Molmil
BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide)
分子名称: 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 9
著者Murray, J.M.
登録日2016-02-18
公開日2016-10-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4514 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I1Q
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BU of 5i1q by Molmil
Second bromodomain of TAF1 bound to a pyrrolopyridone compound
分子名称: 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1
著者Tang, Y, Poy, F, Bellon, S.F.
登録日2016-01-09
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5BKA
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BU of 5bka by Molmil
2.1 Angstrom structure of ActVI-ORFA from Streptomyces Coelicolor
分子名称: Hydroxylacyl-CoA dehydrogenase
著者Vuksanovic, N, Silvaggi, N.R.
登録日2019-06-02
公開日2020-06-03
最終更新日2020-09-02
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural characterization of three noncanonical NTF2-like superfamily proteins: implications for polyketide biosynthesis.
Acta Crystallogr.,Sect.F, 76, 2020
6AZU
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BU of 6azu by Molmil
Holo IDO1 crystal structure
分子名称: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Lewis, H.A, Yan, C.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.822 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AZW
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BU of 6azw by Molmil
IDO1/FXB-001116 crystal structure
分子名称: (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1
著者Lewis, H.A, Lammens, A, Steinbacher, S.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BKQ
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BU of 6bkq by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin E190D mutant in complex with 6'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-11-09
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6BKO
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BU of 6bko by Molmil
Crystal structure of the A/Wyoming/3/2003 (H3N2) influenza virus hemagglutinin D190E mutant apo form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-11-09
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6BKS
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BU of 6bks by Molmil
Crystal structure of the A/Wyoming/3/2003 (H3N2) influenza virus hemagglutinin D190E mutant in complex with 6'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-11-09
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6BKT
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BU of 6bkt by Molmil
Crystal structure of the A/Michigan/15/2014 (H3N2) influenza virus hemagglutinin in complex with 6'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-11-09
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6BKR
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BU of 6bkr by Molmil
Crystal structure of the A/Wyoming/3/2003 (H3N2) influenza virus hemagglutinin in complex with 6'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-11-09
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6BKP
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BU of 6bkp by Molmil
Crystal structure of the A/Michigan/15/2014 (H3N2) influenza virus hemagglutinin apo form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-11-09
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6BKN
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BU of 6bkn by Molmil
Crystal structure of the A/Wyoming/3/2003 (H3N2) influenza virus hemagglutinin apo form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-11-09
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6CNV
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BU of 6cnv by Molmil
INFLUENZA B/BRISBANE HEMAGGLUTININ FAB CR9115 SD84H COMPLEX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR9114 Fab heavy chain, ...
著者Luo, J, Obmolova, G.
登録日2018-03-09
公開日2018-11-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
6CNW
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BU of 6cnw by Molmil
STRUCTURE OF HUMANIZED SINGLE DOMAIN ANTIBODY SD84
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, humanized antibody SD84h
著者Luo, J, Obmolova, O.
登録日2018-03-09
公開日2018-11-14
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
6AZV
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BU of 6azv by Molmil
IDO1/BMS-978587 crystal structure
分子名称: (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1
著者Lewis, H.A.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.755 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BKM
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BU of 6bkm by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin E190D mutant apo form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-11-09
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6DF4
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BU of 6df4 by Molmil
TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
分子名称: 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit
著者Murray, J.M, Tang, Y.
登録日2018-05-14
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
6DF7
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BU of 6df7 by Molmil
TAF1-BD2 in complex with Cpd27 (6-(but-3-en-1-yl)-4-(1-methyl-6-(morpholine-4-carbonyl)-1H-benzo[d]imidazol-4-yl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
分子名称: 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit
著者Murray, J.M.
登録日2018-05-14
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
8JPN
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BU of 8jpn by Molmil
Cryo-EM structure of succinate receptor bound to cis-epoxysuccinic acid coupling to Gi
分子名称: (2R,3S)-oxirane-2,3-dicarboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
登録日2023-06-12
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024
8JPP
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BU of 8jpp by Molmil
Cryo-EM structure of succinate receptor bound to succinate acid coupling MiniGsq
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
登録日2023-06-12
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024
6JG9
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BU of 6jg9 by Molmil
Crystal structure of AimR in complex with arbitrium peptide
分子名称: AimR transcriptional regulator, arbitrium peptide
著者Guan, Z.Y, Pei, K, Zou, T.T.
登録日2019-02-13
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural insights into DNA recognition by AimR of the arbitrium communication system in the SPbeta phage.
Cell Discov, 5, 2019
6JG8
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BU of 6jg8 by Molmil
Crystal structure of AimR in complex with DNA
分子名称: AimR transcriptional regulator, DNA (31-MER)
著者Guan, Z.Y, Pei, K, Zou, T.T.
登録日2019-02-13
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Structural insights into DNA recognition by AimR of the arbitrium communication system in the SPbeta phage.
Cell Discov, 5, 2019

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