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8GRO
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BU of 8gro by Molmil
AtOSCA3.1 contracted state
分子名称: CSC1-like protein ERD4
著者Zhang, M.F.
登録日2022-09-02
公開日2023-06-14
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
8GRN
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BU of 8grn by Molmil
AtOSCA1.1 extended state
分子名称: Protein OSCA1, [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
著者Zhang, M.F.
登録日2022-09-02
公開日2023-06-14
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
8GSO
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BU of 8gso by Molmil
AtOSCA3.1 channel extended state
分子名称: CSC1-like protein ERD4
著者Zhang, M.F.
登録日2022-09-06
公開日2023-06-14
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
8GRS
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BU of 8grs by Molmil
human TMEM63A
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CSC1-like protein 1
著者Zhang, M.F.
登録日2022-09-02
公開日2023-06-14
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A mechanical-coupling mechanism in OSCA/TMEM63 channel mechanosensitivity.
Nat Commun, 14, 2023
5EYI
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BU of 5eyi by Molmil
Structure of PRRSV apo-NSP11 at 2.16A
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CHLORIDE ION, Non-structural protein 11, ...
著者Zhang, M.F, Chen, Z.
登録日2015-11-25
公開日2016-10-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
5HC1
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BU of 5hc1 by Molmil
Structure of EAV NSP11 H141A mutant at 3.10A
分子名称: Non-structural protein 11
著者Zhang, M.F, Chen, Z.Z.
登録日2016-01-04
公開日2016-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
5HBZ
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BU of 5hbz by Molmil
Structure of EAV NSP11 K170A mutant at 3.10A
分子名称: Non-structural protein 11
著者Zhang, M.F, Chen, Z.Z.
登録日2016-01-04
公開日2016-10-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
7V1U
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BU of 7v1u by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
著者Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y.
登録日2021-08-06
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
7V2J
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BU of 7v2j by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33
分子名称: Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide
著者Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y.
登録日2021-08-09
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
2KJM
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BU of 2kjm by Molmil
Solution structure of SLBP RNA binding domain fragment
分子名称: Histone RNA hairpin-binding protein
著者Thapar, R.
登録日2009-06-03
公開日2010-06-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Interaction of the histone mRNA hairpin with stem-loop binding protein (SLBP) and regulation of the SLBP-RNA complex by phosphorylation and proline isomerization.
Biochemistry, 51, 2012
7YIJ
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BU of 7yij by Molmil
Human KCNH5 pore dilation but the non-conducting state
分子名称: POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5
著者Zhang, M.F.
登録日2022-07-16
公開日2023-04-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel.
Nat Commun, 14, 2023
6LKC
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BU of 6lkc by Molmil
Crystal structure of PfaD from Shewanella piezotolerans in complex with FMN
分子名称: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Zhang, M.L, Li, Q, Meng, S.S, Guo, L.J, He, L, Huang, J.Z, Li, L, Zhang, H.D.
登録日2019-12-19
公開日2020-12-23
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 the Trans -Acting Enoyl Reductase in the Biosynthesis of Long-Chain Polyunsaturated Fatty Acids in Shewanella piezotolerans .
J.Agric.Food Chem., 69, 2021
4MGS
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BU of 4mgs by Molmil
BiXyn10A CBM1 APO
分子名称: Putative glycosyl hydrolase family 10
著者Chekan, J.R, Nair, S.K.
登録日2013-08-28
公開日2014-08-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MGQ
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BU of 4mgq by Molmil
PbXyn10C CBM APO
分子名称: CALCIUM ION, Glycosyl hydrolase family 10
著者Chekan, J.R, Nair, S.K.
登録日2013-08-28
公開日2014-08-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QPW
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BU of 4qpw by Molmil
BiXyn10A CBM1 with Xylohexaose Bound
分子名称: beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, glycosyl hydrolase family 10
著者Chekan, J.R, Nair, S.K.
登録日2014-06-25
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
1D3Q
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BU of 1d3q by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE, ALPHA-THROMBIN, ...
著者Chirgadze, N.Y.
登録日1999-09-30
公開日2000-10-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000
1D3T
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BU of 1d3t by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUGEN, ...
著者Chirgadze, N.Y.
登録日1999-09-30
公開日2000-10-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000
1D3D
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BU of 1d3d by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZOTHIOPHENE INHIBITOR 4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL, ALPHA-THROMBIN, ...
著者Chirgadze, N.Y.
登録日1999-09-29
公開日2000-10-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors
Protein Sci., 9, 2000
1D3P
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BU of 1d3p by Molmil
CRYSTAL STRUCTURE OF HUMAN APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL, ALPHA-THROMBIN, ...
著者Chirgadze, N.Y.
登録日1999-09-30
公開日2000-10-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000
4UT3
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BU of 4ut3 by Molmil
X-ray structure of the human PP1 gamma catalytic subunit treated with hydrogen peroxide
分子名称: MANGANESE (II) ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
著者Zeh Silva, M, Kopec, J, Fotinou, D, Steiner, R.A.
登録日2014-07-17
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Targeted Redox Inhibition of Protein Phosphatase 1 by Nox4 Regulates Eif2Alpha-Mediated Stress Signaling.
Embo J., 35, 2016
4UT2
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BU of 4ut2 by Molmil
X-ray structure of the human PP1 gamma catalytic subunit treated with ascorbate
分子名称: MANGANESE (II) ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT
著者Kopec, J, Zeh Silva, M, Fotinou, C, Steiner, R.A.
登録日2014-07-17
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Targeted Redox Inhibition of Protein Phosphatase 1 by Nox4 Regulates Eif2Alpha-Mediated Stress Signaling.
Embo J., 35, 2016
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
分子名称: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
著者Greasley, S.E, Johnson, E, Brodsky, O.
登録日2022-06-17
公開日2023-07-05
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
5MG1
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BU of 5mg1 by Molmil
Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
著者Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M.
登録日2016-11-20
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017

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