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6YVY
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BU of 6yvy by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
Descriptor: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Focal adhesion kinase 1, SULFATE ION
Authors:Musil, D, Amaral, M.
Deposit date:2020-04-28
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YXV
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BU of 6yxv by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-{3-[(2-phenylamino-5-trifluoromethyl-pyrimidin-4-ylamino)-methyl]-pyridin-2-yl}-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-05-04
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YVS
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BU of 6yvs by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-5-trifluoromethyl-pyrimidin-2-ylamino}-1,3-dihydro-indol-2-one
Descriptor: 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one, Focal adhesion kinase 1, SULFATE ION
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-04-28
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
1L0Q
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BU of 1l0q by Molmil
Tandem YVTN beta-propeller and PKD domains from an archaeal surface layer protein
Descriptor: Surface layer protein
Authors:Jing, H, Takagi, J, Liu, J.-H, Lindgren, S, Zhang, R.-G, Joachimiak, A, Wang, J.-H, Springer, T.A.
Deposit date:2002-02-12
Release date:2002-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Archaeal Surface Layer Proteins Contain beta Propeller, PKD, and beta Helix Domains and Are Related to Metazoan Cell Surface Proteins.
Structure, 10, 2002
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
4M57
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BU of 4m57 by Molmil
Crystal structure of the pentatricopeptide repeat protein PPR10 from maize
Descriptor: Chloroplast pentatricopeptide repeat protein 10
Authors:Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
7L8O
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BU of 7l8o by Molmil
OXA-48 bound by Compound 4.3
Descriptor: 1,2-ETHANEDIOL, 9H-fluorene-2,7-disulfonate, Beta-lactamase, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
Deposit date:2020-12-31
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
8IYD
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BU of 8iyd by Molmil
Tail cap of phage lambda tail
Descriptor: Tail tube protein, Tail tube terminator protein
Authors:Wang, J.W, Wang, C.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
8IYK
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BU of 8iyk by Molmil
Tail tip conformation 1 of phage lambda tail
Descriptor: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
Authors:Wang, J.W, Wang, C.
Deposit date:2023-04-05
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
4ZNQ
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BU of 4znq by Molmil
Crystal structure of Dln1 complexed with Man(alpha1-2)Man
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
Deposit date:2015-05-05
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
8IYL
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BU of 8iyl by Molmil
Tail tip conformation 2 of phage lambda tail
Descriptor: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
Authors:Wang, J.W, Wang, C.
Deposit date:2023-04-05
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
4ZNO
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BU of 4zno by Molmil
Crystal structure of Dln1 complexed with sucrose
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Natterin-like protein, ...
Authors:Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
Deposit date:2015-05-05
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
4ZNR
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BU of 4znr by Molmil
Crystal structure of Dln1 complexed with Man(alpha1-3)Man
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
Deposit date:2015-05-05
Release date:2016-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
8KGE
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BU of 8kge by Molmil
Dimeric tail tube protein gpVs of bacteriophage lambda
Descriptor: Tail tube protein
Authors:Wang, J.W.
Deposit date:2023-08-18
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
4TZ7
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BU of 4tz7 by Molmil
Crystal structure of type I phosphatidylinositol 4-phosphate 5-kinase alpha from Zebrafish
Descriptor: Phosphatidylinositol-4-phosphate 5-kinase, type I, alpha
Authors:Hu, J, Qin, Y, Wang, J, Li, L, Wu, D, Ha, Y.
Deposit date:2014-07-09
Release date:2015-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Resolution of structure of PIP5K1A reveals molecular mechanism for its regulation by dimerization and dishevelled.
Nat Commun, 6, 2015
7R6Z
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BU of 7r6z by Molmil
OXA-48 bound by Compound 3.3
Descriptor: 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.
Deposit date:2021-06-24
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
8JY6
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BU of 8jy6 by Molmil
Structure of TbAQP2 in complex with anti-trypanosomatid drug melarsoprol
Descriptor: Aquaglyceroporin 2, [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
8JY7
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BU of 8jy7 by Molmil
Structure of the TbAQP2 in the apo conformation
Descriptor: Aquaglyceroporin 2
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
8JY8
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BU of 8jy8 by Molmil
Structure of TbAQP2 in complex with anti-trypanosomatid drug pentamidine
Descriptor: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, Aquaglyceroporin 2
Authors:Chen, W, Wang, C.
Deposit date:2023-07-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural insights into drug transport by an aquaglyceroporin.
Nat Commun, 15, 2024
8DZB
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BU of 8dzb by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11
Descriptor: 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-06
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
8DZC
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BU of 8dzc by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17
Descriptor: (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-06
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
6EB0
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BU of 6eb0 by Molmil
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI
Descriptor: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, ACETATE ION
Authors:Zhou, D, Kandavelu, P, Zhang, H, Wang, B.C, Yan, Y, Rose, J.
Deposit date:2018-08-03
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019

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数据于2024-07-24公开中

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