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4I0R
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BU of 4i0r by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
著者Chen, S.J, Ye, F.
登録日2016-08-31
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
6T6R
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BU of 6t6r by Molmil
Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
分子名称: (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-ETHANEDIOL, D-MALATE, ...
著者Rowland, P.
登録日2019-10-18
公開日2020-03-18
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation.
J.Med.Chem., 63, 2020
5GUV
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BU of 5guv by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D
分子名称: DNA (cytosine-5)-methyltransferase 1, ZINC ION
著者Ye, F, Chen, S.J.
登録日2016-08-31
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.078 Å)
主引用文献Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
6JQH
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BU of 6jqh by Molmil
Crystal structure of MaDA
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MaDA
著者Du, X.X, Lei, X.G.
登録日2019-03-31
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
5Z2S
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BU of 5z2s by Molmil
Crystal structure of DUX4-HD2 domain
分子名称: Double homeobox protein 4
著者Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
登録日2018-01-03
公開日2018-04-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
登録日2019-05-07
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
1XA8
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BU of 1xa8 by Molmil
Crystal Structure Analysis of Glutathione-dependent formaldehyde-activating enzyme (Gfa)
分子名称: GLUTATHIONE, GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, ...
著者Neculai, A.M, Neculai, D, Griesinger, C, Vorholt, J.A, Becker, S.
登録日2004-08-25
公開日2004-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
3HW3
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BU of 3hw3 by Molmil
The crystal structure of avian influenza virus PA_N in complex with UMP
分子名称: MAGNESIUM ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
6U5Z
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BU of 6u5z by Molmil
Cryo-EM structure of E. coli LonA S679A
分子名称: Lon protease
著者Botos, I, Lountos, G.T, Weimin, W, Wlodawer, A.
登録日2019-08-28
公開日2020-02-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of substrate-free E. coli Lon protease provides insights into the dynamics of Lon machinery
Curr Res Struct Biol, 1, 2020
6CFB
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BU of 6cfb by Molmil
Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti
分子名称: barrettide A
著者Rosengren, K.J, Carstens, B.B, Clark, R.J, Goransson, U.
登録日2018-02-14
公開日2018-03-21
最終更新日2020-01-01
実験手法SOLUTION NMR
主引用文献Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti.
J. Nat. Prod., 78, 2015
4YZ9
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BU of 4yz9 by Molmil
Crystal Structure of human phosphorylated IRE1alpha in complex with a type III kinase inhibitor (GSK2850163A)
分子名称: (5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Concha, N.O.
登録日2015-03-24
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.463 Å)
主引用文献Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
4YZC
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BU of 4yzc by Molmil
Crystal structure of pIRE1alpha in complex with staurosporine
分子名称: STAUROSPORINE, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Concha, N.O.
登録日2015-03-24
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
7Y43
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BU of 7y43 by Molmil
Crystal structure of the KAT6A WH domain and its bound double stranded DNA
分子名称: DNA (5'-D(*GP*GP*AP*GP*TP*GP*CP*GP*CP*AP*CP*TP*CP*C)-3'), Histone acetyltransferase KAT6A, MAGNESIUM ION
著者Wang, Z, Jia, Y.
登録日2022-06-13
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The histone acetyltransferase KAT6A is recruited to unmethylated CpG islands via a DNA binding winged helix domain.
Nucleic Acids Res., 51, 2023
3HW6
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BU of 3hw6 by Molmil
Crystal structure of avian influenza virus PA_N in complex with Mn
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
5Z2T
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BU of 5z2t by Molmil
Crystal structure of DNA-bound DUX4-HD2
分子名称: 5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*TP*T)-3', 5'-D(P*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3', Double homeobox protein 4
著者Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
登録日2018-01-04
公開日2018-04-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
4YZD
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BU of 4yzd by Molmil
Crystal Structure of human phosphorylated IRE1alpha in complex with ADP-Mg
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Concha, N.O.
登録日2015-03-24
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
3HW4
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BU of 3hw4 by Molmil
Crystal structure of avian influenza A virus in complex with TMP
分子名称: MAGNESIUM ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE
著者Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z.
登録日2009-06-17
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center
J.Virol., 83, 2009
4O2P
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BU of 4o2p by Molmil
Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine
分子名称: 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Richters, A, Rauh, D.
登録日2013-12-17
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma.
J.Med.Chem., 58, 2015
2OK3
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BU of 2ok3 by Molmil
X-ray structure of human cyclophilin J at 2.0 angstrom
分子名称: NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3
著者Xia, Z.
登録日2007-01-15
公開日2008-01-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
1X6M
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BU of 1x6m by Molmil
Crystal structure of the glutathione-dependent formaldehyde-activating enzyme (Gfa)
分子名称: GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, SULFATE ION, ...
著者Neculai, A.M, Neculai, D, Vorholt, J.A, Becker, S.
登録日2004-08-11
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
2OJU
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BU of 2oju by Molmil
X-ray structure of complex of human cyclophilin J with cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3
著者Xia, Z, Huang, L.
登録日2007-01-14
公開日2008-01-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma
To be Published
5LHL
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BU of 5lhl by Molmil
Crystal Structure of Two-Domain Laccase from Streptomyces griseoflavus
分子名称: CHLORIDE ION, COPPER (II) ION, OXYGEN MOLECULE, ...
著者Gabdulkhakov, A.G.
登録日2016-07-12
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Two-Domain Laccase from Streptomyces griseoflavus
To Be Published
6EWX
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BU of 6ewx by Molmil
Structure of Pragmin pseudo-kinase reveals a dimerization mechanism to regulate protein tyrosine phosphorylation and nuclear transcription
分子名称: PEAK1-related kinase-activating pseudokinase 1, SULFATE ION
著者Gelin, M, Allemand, F, Fournet, A, Labesse, G.
登録日2017-11-06
公開日2018-01-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.771 Å)
主引用文献Dimerization of the Pragmin Pseudo-Kinase Regulates Protein Tyrosine Phosphorylation.
Structure, 26, 2018
3RZ3
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BU of 3rz3 by Molmil
Human Cdc34 E2 in complex with CC0651 inhibitor
分子名称: 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid, Ubiquitin-conjugating enzyme E2 R1
著者Ceccarelli, D.F, Webb, D.R, Sicheri, F.
登録日2011-05-11
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An allosteric inhibitor of the human cdc34 ubiquitin conjugating enzyme
Cell(Cambridge,Mass.), 145, 2011

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