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5L2Z
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BU of 5l2z by Molmil
Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid
分子名称: 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ...
著者Wei, A.
登録日2016-08-02
公開日2016-09-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
6J8L
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BU of 6j8l by Molmil
Phytophthora sojae effector PsAvh240 inhibits a host aspartic protease secretion to promote infection
分子名称: Avh240, SULFATE ION
著者Guo, B.
登録日2019-01-19
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Phytophthora sojae Effector PsAvh240 Inhibits Host Aspartic Protease Secretion to Promote Infection.
Mol Plant, 12, 2019
5GPP
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BU of 5gpp by Molmil
Crystal structure of zebrafish ASC PYD domain
分子名称: ACETATE ION, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, ...
著者Jin, T, Li, Y.
登録日2016-08-04
公開日2017-08-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
5GPQ
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BU of 5gpq by Molmil
Crystal Structure of zebrafish ASC CARD Domain
分子名称: CITRIC ACID, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Jin, T, Li, Y.
登録日2016-08-04
公開日2017-08-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
6EAZ
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BU of 6eaz by Molmil
Apo structure of the mitochondrial calcium uniporter protein MICU2
分子名称: Calcium uptake protein 2, mitochondrial, GLYCEROL
著者Kamer, K.J, Grabarek, Z.
登録日2018-08-03
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Crystal structure of MICU2 and comparison with MICU1 reveal insights into the uniporter gating mechanism.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6IIO
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BU of 6iio by Molmil
Cryo-EM structure of CV-A10 native empty particle
分子名称: VP0, VP1, VP3
著者Chen, J.H, Ye, X.H, Cong, Y, Huang, Z.
登録日2018-10-07
公開日2018-11-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses.
Cell Discov, 5, 2019
6IIJ
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BU of 6iij by Molmil
Cryo-EM structure of CV-A10 mature virion
分子名称: SPHINGOSINE, VP1, VP2, ...
著者Chen, J.H, Ye, X.H, Cong, Y, Huang, Z.
登録日2018-10-06
公開日2018-11-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses.
Cell Discov, 5, 2019
7TVA
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BU of 7tva by Molmil
Stat5a Core in complex with AK2292
分子名称: DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2022-02-04
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.835 Å)
主引用文献A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
7TVB
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BU of 7tvb by Molmil
Stat5A Core in Complex with AK305
分子名称: GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A
著者Meagher, J.L, Stuckey, J.A.
登録日2022-02-04
公開日2023-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
4A3N
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BU of 4a3n by Molmil
Crystal Structure of HMG-BOX of Human SOX17
分子名称: TRANSCRIPTION FACTOR SOX-17, ZINC ION
著者Gao, N, Gao, H, Qian, H, Si, S, Xie, Y.
登録日2011-10-01
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Human Transcription Factor Sry-Related Box 17 Binding to DNA.
Protein Pept.Lett., 20, 2013
4O1H
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BU of 4o1h by Molmil
Crystal Structure of the regulatory domain of AmeGlnR
分子名称: Transcription regulator GlnR
著者Lin, W, Wang, C, Zhang, P.
登録日2013-12-16
公開日2014-04-23
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
4O1I
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BU of 4o1i by Molmil
Crystal Structure of the regulatory domain of MtbGlnR
分子名称: Transcriptional regulatory protein
著者Lin, W, Wang, C, Zhang, P.
登録日2013-12-16
公開日2014-04-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
6C3L
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BU of 6c3l by Molmil
Crystal structure of BCL6 BTB domain with compound 15f
分子名称: B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
著者Linhares, B, Cheng, H, Cierpicki, T, Xue, F.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.46092153 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6C3N
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BU of 6c3n by Molmil
Crystal structure of BCL6 BTB domain in complex with compound 7CC5
分子名称: B-cell lymphoma 6 protein, N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
著者Linhares, B, Cheng, H, Xue, F, Cierpicki, T.
登録日2018-01-10
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53170586 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
6CQ1
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BU of 6cq1 by Molmil
BCL6 BTB domain in complex with 15a
分子名称: 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide, B-cell lymphoma 6 protein
著者Linhares, B.M, Cheng, H, Xue, F, Cierpicki, T.
登録日2018-03-14
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69921041 Å)
主引用文献Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design.
J.Med.Chem., 61, 2018
7RI5
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BU of 7ri5 by Molmil
Structure of a BAM in MSP1E3D1 nanodiscs at 4 Angstrom resolution
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Wu, R.R, Noinaj, N.
登録日2021-07-19
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
7RJ5
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BU of 7rj5 by Molmil
The structure of BAM in complex with EspP at 7 Angstrom resolution
分子名称: Maltodextrin-binding protein,Autotransporter outer membrane beta-barrel domain-containing protein chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
著者Wu, R.R, Noinaj, N.
登録日2021-07-20
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
7RI9
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BU of 7ri9 by Molmil
The structure of BAM in MSP1E3D1 at 6.9 Angstrom resolution
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Wu, R.R, Noinaj, N.
登録日2021-07-19
公開日2021-12-22
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
7RI8
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BU of 7ri8 by Molmil
The structure of BAM in MSP2N2 nanodiscs
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Wu, R.R, Noinaj, N.
登録日2021-07-19
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
7RI6
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BU of 7ri6 by Molmil
Structure of BAM in MSP1E3D1 nanodiscs prepared from E. coli outer membranes
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Wu, R.R, Noinaj, N.
登録日2021-07-19
公開日2021-12-22
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
7RI4
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BU of 7ri4 by Molmil
Structure of a BAM/EspP(beta9-12) hybrid-barrel intermediate
分子名称: EspPbeta9-12, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
著者Wu, R.R, Noinaj, N.
登録日2021-07-19
公開日2021-12-22
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
7RI7
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BU of 7ri7 by Molmil
The structure of BAM in MSP1D1 nanodiscs
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Wu, R.R, Noinaj, N.
登録日2021-07-19
公開日2021-12-22
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
分子名称: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
著者Wang, X, Wang, N.
登録日2020-08-29
公開日2020-12-16
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWL
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BU of 7cwl by Molmil
SARS-CoV-2 spike protein and P17 fab complex with one RBD in close state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab P17 heavy chain, Fab P17 light chain, ...
著者Wang, X, Wang, N.
登録日2020-08-29
公開日2021-01-27
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWM
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BU of 7cwm by Molmil
Complex of SARS-CoV-2 spike protein and Fab P17 with one RBD in open state and two RBD in closed state
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, P17 heavy chain, ...
著者Wang, N, Wang, X.
登録日2020-08-29
公開日2020-12-16
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021

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