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5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
7YBN
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BU of 7ybn by Molmil
SARS-CoV-2 C.1.2 variant spike (Open state)
分子名称: Spike glycoprotein
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-11-29
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
分子名称: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
著者Park, C.H.
登録日2014-07-16
公開日2015-07-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
7YBL
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BU of 7ybl by Molmil
SARS-CoV-2 B.1.620 variant spike (close 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-08-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
7YBK
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BU of 7ybk by Molmil
SARS-CoV-2 B.1.620 variant spike (open 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-09-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
7YBH
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BU of 7ybh by Molmil
SARS-CoV-2 lambda variant spike
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, Spike glycoprotein, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-08-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
7YBM
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BU of 7ybm by Molmil
SARS-CoV-2 C.1.2 variant spike (Close 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-08-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
6CDX
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BU of 6cdx by Molmil
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
分子名称: cystine knot (fluoropropylated)
著者Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V.
登録日2018-02-09
公開日2019-08-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
6VIY
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BU of 6viy by Molmil
BRD2_Bromodomain2 complex with pyrrolopyridone compound 27
分子名称: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
8E7E
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BU of 8e7e by Molmil
Cryo-EM structure of cardiac amyloid fibril from a variant ATTR I84S amyloidosis patient
分子名称: Transthyretin
著者Nguyen, B.A, Singh, V, Afrin, S, Saelices, L.
登録日2022-08-23
公開日2023-08-30
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Structural polymorphism of amyloid fibrils in ATTR amyloidosis revealed by cryo-electron microscopy.
Nat Commun, 15, 2024
8E7J
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BU of 8e7j by Molmil
Cryo-EM structure of cardiac amyloid fibril from a variant ATTR I84S amyloidosis patient
分子名称: Transthyretin
著者Nguyen, B.A, Saelices, L.
登録日2022-08-24
公開日2023-08-30
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural polymorphism of amyloid fibrils in ATTR amyloidosis revealed by cryo-electron microscopy.
Nat Commun, 15, 2024
4DK5
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BU of 4dk5 by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor
分子名称: 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-02-03
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases.
J.Med.Chem., 55, 2012
5ZXK
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BU of 5zxk by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
7BOZ
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BU of 7boz by Molmil
N-teminal of mature bacteriophage T7 tail fiber protein gp17
分子名称: N-teminal of mature bacteriophage T7 tail fiber protein gp17
著者Chen, W.Y, Xiao, H.
登録日2020-03-20
公開日2021-03-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
7BOY
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BU of 7boy by Molmil
Mature bacteriorphage t7 tail nozzle protein gp12
分子名称: Tail tubular protein gp12
著者Chen, W.Y, Xiao, H.
登録日2020-03-20
公開日2021-03-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
7BP0
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BU of 7bp0 by Molmil
Packing Bacteriophage T7 portal protein GP8
分子名称: Portal protein
著者Chen, W.Y, Xiao, H.
登録日2020-03-20
公開日2021-03-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
7BOX
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BU of 7box by Molmil
Mature bacteriorphage t7 tail adaptor protein gp11
分子名称: Tail adaptor protein gp11
著者Chen, W.Y, Xiao, H.
登録日2020-03-20
公開日2021-03-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
7BOU
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BU of 7bou by Molmil
GP8 of Mature Bacteriophage T7
分子名称: Portal protein
著者Chen, W.Y, Xiao, H.
登録日2020-03-19
公開日2021-03-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural changes of a bacteriophage upon DNA packaging and maturation.
Protein Cell, 11, 2020
4R91
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BU of 4r91 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Caldwell, J.P, Strickland, C.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6PXG
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BU of 6pxg by Molmil
Crystal Structure of MERS-CoV neutralizing antibody G2 Fab
分子名称: G2 Fab Heavy Chain, G2 Fab Light chain
著者Wang, N, McLellan, J.S.
登録日2019-07-26
公開日2019-09-25
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD.
Cell Rep, 28, 2019
6W7F
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BU of 6w7f by Molmil
Structure of EED bound to inhibitor 5285
分子名称: 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED
著者Petrunak, E.M, Stuckey, J.A.
登録日2020-03-19
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
6PXH
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BU of 6pxh by Molmil
Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab
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, DIHYDROFOLIC ACID, ...
著者Wang, N, McLellan, J.S.
登録日2019-07-26
公開日2019-09-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD.
Cell Rep, 28, 2019
4R95
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BU of 4r95 by Molmil
BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6W7G
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BU of 6w7g by Molmil
Structure of EED bound to inhibitor 1056
分子名称: 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2020-03-19
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
5JXT
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BU of 5jxt by Molmil
Crystal structure of MtISWI bound with histone H4 tail
分子名称: Chromatin-remodeling complex ATPase-like protein, Histone H4
著者Chen, Z, Yan, L.
登録日2016-05-13
公開日2016-12-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.009 Å)
主引用文献Structure and regulation of the chromatin remodeller ISWI
Nature, 540, 2016

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