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7WCN
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BU of 7wcn by Molmil
Cryo-EM structure of GPR119-Gs Complex with small molecule agonist AR231453
分子名称: Glucose-dependent insulinotropic receptor, 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Qiao, A.N, Wu, S, Ye, S.
登録日2021-12-20
公開日2022-12-21
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
7VKV
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NMR structure of the zeta-subunit of the F1F0-ATPase from Sinorhizobium meliloti
分子名称: zeta-subunit
著者Yang, L.Y, Mendoza-Hoffmann, F, Buratto, D.
登録日2021-10-01
公開日2021-10-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inhibitory to non-inhibitory evolution of the zeta subunit of the F 1 F O -ATPase of Paracoccus denitrificans and alpha-proteobacteria as related to mitochondrial endosymbiosis.
Front Mol Biosci, 10, 2023
8F5Y
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Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1
分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2
著者Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T.
登録日2022-11-15
公開日2024-02-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR.
Nucleic Acids Res., 52, 2024
7EWQ
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BU of 7ewq by Molmil
Structure of Mumps virus nucleocapsid ring
分子名称: Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3')
著者Su, X, Shen, Q, Shan, H.
登録日2021-05-25
公開日2021-06-23
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural plasticity of mumps virus nucleocapsids with cryo-EM structures.
Commun Biol, 4, 2021
7EXA
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Structure of mumps virus nucleoprotein without C-arm
分子名称: Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3')
著者Shen, Q, Shan, H, Zhang, N, Qin, Y.
登録日2021-05-26
公開日2024-08-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural plasticity of mumps virus nucleocapsids with cryo-EM structures.
Commun Biol, 4, 2021
7V1Q
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Leifsonia Alcohol Dehydrogenases LnADH
分子名称: Alcohol Dehydrogenases, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Song, Y, Qu, X.
登録日2021-08-05
公開日2021-12-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Engineering Leifsonia Alcohol Dehydrogenase for Thermostability and Catalytic Efficiency by Enhancing Subunit Interactions.
Chembiochem, 22, 2021
7V1R
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BU of 7v1r by Molmil
Leifsonia Alcohol Dehydrogenases LnADH
分子名称: Alcohol Dehydrogenases, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Song, Y, Qu, X.
登録日2021-08-05
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Engineering Leifsonia Alcohol Dehydrogenase for Thermostability and Catalytic Efficiency by Enhancing Subunit Interactions.
Chembiochem, 22, 2021
8T4S
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BU of 8t4s by Molmil
MERS-CoV Nsp1 protein bound to the Human 40S Ribosomal subunit
分子名称: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Devarkar, S.C, Xiong, Y.
登録日2023-06-09
公開日2023-10-04
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for translation inhibition by MERS-CoV Nsp1 reveals a conserved mechanism for betacoronaviruses.
Cell Rep, 42, 2023
6BG5
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Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1
分子名称: Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
著者Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
登録日2017-10-27
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
6BG3
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BU of 6bg3 by Molmil
Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl acetate bound to DCN1
分子名称: Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea
著者Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
登録日2017-10-27
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
4NQF
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BU of 4nqf by Molmil
Crystal structure of HEPN domain protein
分子名称: Nucleotidyltransferase
著者Padavannil, A, Jobichen, C, Sivaraman, J.
登録日2013-11-25
公開日2014-03-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dimerization of VirD2 Binding Protein Is Essential for Agrobacterium Induced Tumor Formation in Plants
Plos Pathog., 10, 2014
8UVR
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BU of 8uvr by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with spectinomycin, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.60A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Killam, B.Y, Phelps, G.A, Lee, R.E, Polikanov, Y.S.
登録日2023-11-03
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UVS
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BU of 8uvs by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with spectinomycin derivative 2694, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.75A resolution
分子名称: (2R,4R,4aS,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)-4-({[2-(oxan-4-yl)ethyl]amino}methyl)octahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4a,7,9(10aH)-tetrol, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Killam, B.Y, Phelps, G.A, Lee, R.E, Polikanov, Y.S.
登録日2023-11-03
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus.
Proc.Natl.Acad.Sci.USA, 121, 2024
5XS4
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BU of 5xs4 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus A-particle
分子名称: Genome polyprotein
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
7JN5
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BU of 7jn5 by Molmil
Crystal structure of SARS-CoV receptor binding domain in complex with human antibody CR3022
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, CR3022 heavy chain, ...
著者Wu, N.C, Yuan, M, Zhu, X, Wilson, I.A.
登録日2020-08-03
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献A natural mutation between SARS-CoV-2 and SARS-CoV determines neutralization by a cross-reactive antibody.
Plos Pathog., 16, 2020
7JJG
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Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZ20
分子名称: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, GLYCEROL, ...
著者Karim, M.R, Schonbrunn, E.
登録日2020-07-25
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
5XS7
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BU of 5xs7 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5
分子名称: Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T.
登録日2017-06-12
公開日2017-09-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
7JJH
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Crystal structure of the unliganded tandem bromodomain (BD1, BD2) of human TAF1
分子名称: 1,2-ETHANEDIOL, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2020-07-25
公開日2021-01-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7JSP
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BU of 7jsp by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738
分子名称: 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, SULFATE ION, ...
著者Karim, M.R, Schonbrunn, E.
登録日2020-08-15
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K0D
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Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to mTORC1/2 inhibitor AZD3147
分子名称: N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2020-09-04
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K0U
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Crystal structure of the second bromodomain (BD2) of human TAF1 bound to PLK1 kinase inhibitor BI2536
分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2020-09-06
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K03
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BU of 7k03 by Molmil
Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738
分子名称: 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2020-09-03
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K42
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Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, SULFATE ION, ...
著者Karim, M.R, Schonbrunn, E.
登録日2020-09-14
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K1P
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Crystal structure of the second bromodomain (BD2) of human TAF1 bound to bromosporine
分子名称: 1,2-ETHANEDIOL, Bromosporine, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2020-09-08
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K27
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Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR inhibitor AZ20
分子名称: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, DIMETHYL SULFOXIDE, ...
著者Karim, M.R, Schonbrunn, E.
登録日2020-09-08
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022

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