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6LS4
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BU of 6ls4 by Molmil
A novel anti-tumor agent S-40 in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ...
著者Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H.
登録日2020-01-17
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
6M4Q
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BU of 6m4q by Molmil
Cytochrome P450 monooxygenase StvP2 substrate-free structure
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Sun, G, Hu, C, Mei, Q, Luo, M, Chen, X, Li, Z, Liu, Y, Deng, Z, Zhang, Z, Sun, Y.
登録日2020-03-08
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Uncovering the cytochrome P450-catalyzed methylenedioxy bridge formation in streptovaricins biosynthesis.
Nat Commun, 11, 2020
4RTS
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BU of 4rts by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoMet and a 5-bp non-canonical site (GTCTA)
分子名称: DNA (5'-D(*AP*CP*TP*TP*AP*GP*AP*CP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*GP*TP*CP*TP*AP*AP*G)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
6DQF
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BU of 6dqf by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
分子名称: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献To be determined
To Be Published
6DQC
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BU of 6dqc by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献To be determined
To Be Published
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献To be determined
To Be Published
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献To be determined
To Be Published
7YHN
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BU of 7yhn by Molmil
ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ...
著者Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X.
登録日2022-07-14
公開日2023-07-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site.
J.Med.Chem., 65, 2022
7CK6
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BU of 7ck6 by Molmil
Protein translocase of mitochondria
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ...
著者Yang, M, Wang, W, Zhang, L, Chen, X.
登録日2020-07-15
公開日2020-11-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Atomic structure of human TOM core complex.
Cell Discov, 6, 2020
7YCK
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BU of 7yck by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, FP-12A Fab light chain, ...
著者Nguyen, V.H.T, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7YCL
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BU of 7ycl by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ...
著者Mohapatra, A, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7YCN
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BU of 7ycn by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IY-2A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IY-2A Fab heavy chain, IY-2A Fab light chain, ...
著者Mohapatra, A, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7EKA
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BU of 7eka by Molmil
crystal structure of epigallocatechin binding with alpha-lactalbumin
分子名称: 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, Alpha-lactalbumin
著者Ma, J, Yao, Q, Chen, X, Zang, J.
登録日2021-04-05
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Weak Binding of Epigallocatechin to alpha-Lactalbumin Greatly Improves Its Stability and Uptake by Caco-2 Cells.
J.Agric.Food Chem., 69, 2021
1F0O
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BU of 1f0o by Molmil
PVUII ENDONUCLEASE/COGNATE DNA COMPLEX (GLUTARALDEHYDE-CROSSLINKED CRYSTAL) AT PH 7.5 WITH TWO CALCIUM IONS AT EACH ACTIVE SITE
分子名称: (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C-3'), CALCIUM ION, TYPE II RESTRICTION ENZYME PVUII
著者Horton, J.R, Cheng, X.
登録日2000-05-16
公開日2000-11-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献PvuII endonuclease contains two calcium ions in active sites.
J.Mol.Biol., 300, 2000
4QVZ
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BU of 4qvz by Molmil
FMRP N-terminal domain
分子名称: 1,2-ETHANEDIOL, Fragile X mental retardation protein 1
著者Myrick, L.K, Hashimoto, H, Cheng, X, Warren, S.T.
登録日2014-07-16
公開日2014-12-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.195 Å)
主引用文献Human FMRP contains an integral tandem Agenet (Tudor) and KH motif in the amino terminal domain.
Hum.Mol.Genet., 24, 2015
2ZO2
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BU of 2zo2 by Molmil
Mouse NP95 SRA domain non-specific DNA complex
分子名称: DNA (5'-D(*DAP*DAP*DCP*DTP*DGP*DCP*DGP*DCP*DAP*DGP*DTP*DT)-3'), E3 ubiquitin-protein ligase UHRF1, PHOSPHATE ION
著者Hashimoto, H, Horton, J.R, Cheng, X.
登録日2008-05-05
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
2ZO1
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BU of 2zo1 by Molmil
Mouse NP95 SRA domain DNA specific complex 2
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), ...
著者Hashimoto, H, Horton, J.R, Cheng, X.
登録日2008-05-05
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
2ZO0
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BU of 2zo0 by Molmil
mouse NP95 SRA domain DNA specific complex 1
分子名称: DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), E3 ubiquitin-protein ligase UHRF1
著者Hashimoto, H, Horton, J.R, Cheng, X.
登録日2008-05-05
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
1EYU
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BU of 1eyu by Molmil
HIGH RESOLUTION STRUCTURE OF THE PVUII ENDONCULEASE/COGNATE DNA COMPLEX AT PH 4.6
分子名称: DNA (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C)-3'), TYPE II RESTRICTION ENZYME PVUII
著者Horton, J.R, Cheng, X.
登録日2000-05-09
公開日2000-07-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献PvuII endonuclease contains two calcium ions in active sites.
J.Mol.Biol., 300, 2000
4RTO
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BU of 4rto by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with Sinefungin and with DNA Containing Proximal Pap Regulon Sequence
分子名称: DNA (5'-D(*AP*CP*GP*AP*TP*CP*TP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*AP*GP*AP*TP*CP*G)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTR
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BU of 4rtr by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoMet and a 5-bp non-canonical site (GTTTA )
分子名称: DNA (5'-D(*AP*CP*TP*TP*AP*AP*AP*CP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*GP*TP*TP*TP*AP*AP*G)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTJ
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BU of 4rtj by Molmil
A non-cognate complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with DNA and Sinefungin
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*CP*TP*AP*GP*AP*TP*CP*TP*AP*GP*A)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTQ
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BU of 4rtq by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoHcy and a 5-bp non-canonical site (GTTTA )
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*TP*TP*AP*AP*AP*CP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*GP*TP*TP*TP*AP*AP*G)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTN
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BU of 4rtn by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoHcy and with DNA Containing Proximal Pap Regulon Sequence
分子名称: DNA (5'-D(*AP*CP*GP*AP*TP*CP*TP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*AP*GP*AP*TP*CP*G)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015

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