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8HE2
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The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici
分子名称: Chitin deacetylase, ZINC ION, tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate
著者Liu, L, Li, Y.C, Zhou, Y, Yang, Q.
登録日2022-11-07
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
8HE1
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The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici
分子名称: BENZHYDROXAMIC ACID, Chitin deacetylase, ZINC ION
著者Liu, L, Li, Y.C, Zhou, Y, Yang, Q.
登録日2022-11-07
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
8HF9
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The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici
分子名称: Chitin deacetylase, ZINC ION
著者Liu, L, Li, Y.C, Zhou, Y, Yang, Q.
登録日2022-11-10
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023
4RB1
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Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-E. coli Fur box
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*AP*TP*GP*AP*TP*AP*AP*TP*CP*AP*TP*TP*AP*TP*CP*CP*GP*C)-3'), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
5D4Y
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A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase
分子名称: beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, xylanase
著者Zheng, Y, Guo, R.T.
登録日2015-08-10
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
5DDT
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Crystal structure of IspD from Bacillus subtilis at 1.80 Angstroms resolution, crystal form I
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2015-08-25
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
6WJL
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BU of 6wjl by Molmil
Crystal structure of Glypican-2 core protein in complex with D3 Fab
分子名称: D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ...
著者Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P.
登録日2020-04-14
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope.
Cell Rep Med, 2, 2021
7RN2
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Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2
分子名称: 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4
著者Stachowski, T.R, Fischer, M.
登録日2021-07-28
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
7RMD
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Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1
分子名称: 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4
著者Stachowski, T.R, Fischer, M.
登録日2021-07-27
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors.
Eur.J.Med.Chem., 251, 2023
6VTW
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BU of 6vtw by Molmil
De novo protein design enables the precise induction of RSV-neutralizing antibodies
分子名称: 101F Fab Heavy Chain, 101F Fab Light Chain, S4_2.45
著者Jardetzky, T, Correia, B.
登録日2020-02-13
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
5DDV
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Crystal structure of IspD from Bacillus subtilis at 2.30 Angstroms resolution, crystal form II
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2015-08-25
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
8F1D
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BU of 8f1d by Molmil
Voltage-gated potassium channel Kv3.1 apo
分子名称: CHOLESTEROL, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1, ...
著者Chen, Y, Ishchenko, A.
登録日2022-11-04
公開日2023-10-25
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1C
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BU of 8f1c by Molmil
Voltage-gated potassium channel Kv3.1 with novel positive modulator (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one (compound 4)
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one, POTASSIUM ION, ...
著者Chen, Y, Ishchenko, A.
登録日2022-11-04
公開日2023-10-25
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
2PL5
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BU of 2pl5 by Molmil
Crystal Structure of Homoserine O-acetyltransferase from Leptospira interrogans
分子名称: GLYCEROL, Homoserine O-acetyltransferase
著者Liu, L, Wang, M, Wang, Y, Wei, Z, Xu, H, Gong, W.
登録日2007-04-19
公開日2007-11-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans
Biochem.Biophys.Res.Commun., 363, 2007
3LHG
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BU of 3lhg by Molmil
Bace1 in complex with the aminohydantoin Compound 4g
分子名称: (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2010-01-22
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2QX0
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BU of 2qx0 by Molmil
Crystal Structure of Yersinia pestis HPPK (Ternary Complex)
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Blaszczyk, J, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
登録日2007-08-10
公開日2007-10-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and activity of Yersinia pestis 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as a novel target for the development of antiplague therapeutics.
Acta Crystallogr.,Sect.D, 63, 2007
6A63
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Placental protein 13/galectin-13 variant R53HH57R with Lactose
分子名称: Galactoside-binding soluble lectin 13, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Su, J.
登録日2018-06-26
公開日2018-12-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose
Biosci. Rep., 38, 2018
6A66
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Placental protein 13/galectin-13 variant R53H with Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Galactoside-binding soluble lectin 13
著者Su, J.Y.
登録日2018-06-26
公開日2018-12-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose
Biosci. Rep., 38, 2018
6L50
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Crystal structure of Zika NS2B-NS3 protease with compound 16
分子名称: 2-sulfanylidene-1,3-thiazolidin-4-one, NS3 protease, Serine protease subunit NS2B
著者Quek, J.P.
登録日2019-10-21
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
7DW5
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BU of 7dw5 by Molmil
Crystal structure of DUX4 HD1-HD2 domain complexed with ERG sites
分子名称: BROMIDE ION, DNA (5'-D(P*CP*GP*AP*CP*TP*TP*GP*AP*TP*GP*AP*GP*AP*TP*TP*AP*GP*AP*CP*TP*G)-3'), Double homeobox protein 4-like protein 2
著者Zhang, H, Cheng, N, Li, Z, Zhang, W, Dong, X, Huang, J, Meng, G.
登録日2021-01-15
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献DNA crosslinking and recombination-activating genes 1/2 (RAG1/2) are required for oncogenic splicing in acute lymphoblastic leukemia.
Cancer Commun (Lond), 41, 2021
1RU1
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CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK(V83G/DEL84-89) WITH MGAMPCPP AND 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 1.40 ANGSTROM RESOLUTION (MONOCLINIC FORM)
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2003-12-10
公開日2004-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004
4EML
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Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with bicarbonate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BICARBONATE ION, CHLORIDE ION, ...
著者Song, H.G.
登録日2012-04-12
公開日2012-06-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.043 Å)
主引用文献Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Biochemistry, 51, 2012
1RTZ
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CRYSTAL STRUCTURE OF E.COLI APO-HPPK(V83G/DEL84-89) AT 1.33 ANGSTROM RESOLUTION
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, GLYCEROL, ...
著者Blaszczyk, J, Ji, X.
登録日2003-12-10
公開日2004-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004
2HNA
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Solution Structure of a bacterial apo-flavodoxin
分子名称: Protein mioC
著者Hu, Y, Jin, C.
登録日2006-07-12
公開日2006-09-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structures and backbone dynamics of a flavodoxin MioC from Escherichia coli in both Apo- and Holo-forms: implications for cofactor binding and electron transfer
J.Biol.Chem., 281, 2006
1RU2
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CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E.COLI HPPK(V83G/DEL84-89) WITH MGAMPCPP AND 6-HYDROXYMETHYLPTERIN AT 1.48 ANGSTROM RESOLUTION (ORTHORHOMBIC FORM)
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN, CHLORIDE ION, ...
著者Blaszczyk, J, Ji, X.
登録日2003-12-10
公開日2004-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Essential Roles of a Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry, 43, 2004

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