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6YI6
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BU of 6yi6 by Molmil
Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
分子名称: (2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid, CALCIUM ION, CESIUM ION, ...
著者Kljajic, M, Heine, A, Klebe, G.
登録日2020-04-01
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
To Be Published
6YMS
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BU of 6yms by Molmil
Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
分子名称: (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Kljajic, M, Heine, A, Klebe, G.
登録日2020-04-09
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
To Be Published
3CFV
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BU of 3cfv by Molmil
Structural basis of the interaction of RbAp46/RbAp48 with histone H4
分子名称: ARSENIC, Histone H4 peptide, Histone-binding protein RBBP7
著者Pei, X.-Y, Murzina, N.V, Zhang, W, McLaughlin, S, Verreault, A, Luisi, B.F, Laue, E.D.
登録日2008-03-04
公開日2008-06-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for the Recognition of Histone H4 by the Histone-Chaperone RbAp46.
Structure, 16, 2008
6YMR
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BU of 6ymr by Molmil
Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
分子名称: (((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leucinate, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Kljajic, M, Heine, A, Klebe, G.
登録日2020-04-09
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin
To Be Published
4OV8
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BU of 4ov8 by Molmil
Crystal Structure of the TMH1-lock mutant of the mature form of pleurotolysin B
分子名称: CHLORIDE ION, GLYCEROL, Pleurotolysin B, ...
著者Kondos, S.C, Law, R.H.P, Whisstock, J.C, Dunstone, M.A.
登録日2014-02-20
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin
Plos Biol., 13, 2015
6S3E
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BU of 6s3e by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in apo form
分子名称: PIF1 helicase
著者Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
登録日2019-06-25
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.787 Å)
主引用文献Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
4PRW
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BU of 4prw by Molmil
Xylanase T6 (XT6) from Geobacillus Stearothermophilus in complex with xylohexaose
分子名称: CHLORIDE ION, Endo-1,4-beta-xylanase, SULFATE ION, ...
著者Dann, R.D, Solomon, H.V, Lansky, S, Ben-David, A, Lavid, N, Salama, R, Shoham, Y, Shoham, G.
登録日2014-03-06
公開日2015-03-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Xylanase T6 (XT6) from Geobacillus Stearothermophilus in complex with xylohexaose
To be Published
5HZZ
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BU of 5hzz by Molmil
Crystal structure of DR2231_E47A mutant in complex with dUMP and manganese
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DR2231, MANGANESE (II) ION
著者Mota, C.S, Goncalves, A.M.D, de Sanctis, D.
登録日2016-02-03
公開日2016-10-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP.
FEBS J., 283, 2016
3SYR
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BU of 3syr by Molmil
Glycogen phosphorylase b in complex with beta-D-glucopyranonucleoside 5-fluorouracil
分子名称: 5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Skamnaki, V.T, Kantsadi, A.L, Kontou, M, Leonidas, D.D.
登録日2011-07-18
公開日2012-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why.
Chem.Biol.Drug Des., 79, 2012
1ZNY
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BU of 1zny by Molmil
Crystal Structure Of Mycobacterium tuberculosis Guanylate Kinase In Complex With GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanylate kinase
著者Hible, G, Christova, P, Renault, L, Seclaman, E, Thompson, A, Girard, E, Munier-Lehmann, H, Cherfils, J.
登録日2005-05-12
公開日2005-11-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unique GMP-binding site in Mycobacterium tuberculosis guanosine monophosphate kinase
Proteins, 62, 2006
5I07
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BU of 5i07 by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 1,2-ETHANEDIOL, 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ...
著者Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G.
登録日2016-02-03
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
1P0B
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BU of 1p0b by Molmil
Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed With Archaeosine Precursor, Preq0
分子名称: 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, Queuine tRNA-ribosyltransferase, ZINC ION
著者Brenk, R, Stubbs, M.T, Heine, A, Reuter, K, Klebe, G.
登録日2003-04-10
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Chembiochem, 4, 2003
6S3N
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BU of 6s3n by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai in complex with ssDNA (dT)18 and ADP-VO4
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
著者Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
登録日2019-06-25
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.533 Å)
主引用文献Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
4PIC
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BU of 4pic by Molmil
YwlE arginine phosphatase from Geobacillus stearothermophilus
分子名称: Arginine phosphatase Ywle, PHOSPHATE ION, SULFATE ION
著者Clausen, T, Fuhrmann, J.
登録日2014-05-08
公開日2014-05-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Chasing phosphoarginine proteins: development of a selective enrichment method using a phosphatase trap.
Mol.Cell Proteomics, 2014
3U6D
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BU of 3u6d by Molmil
MutM set 1 GpGo
分子名称: DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*TP*CP*CP*CP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*GP*(8OG)P*GP*AP*(TX)P*CP*TP*AP*CP*C)-3'), Formamidopyrimidine-DNA glycosylase, ...
著者Sung, R.J, Zhang, M, Qi, Y, Verdine, G.L.
登録日2011-10-12
公開日2012-04-25
最終更新日2013-09-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Sequence-dependent structural variation in DNA undergoing intrahelical inspection by the DNA glycosylase MutM.
J.Biol.Chem., 287, 2012
3TI0
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BU of 3ti0 by Molmil
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to DNA and ddGTP-dC in Closed Conformation
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*C*AP*TP*CP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3', ...
著者Wang, W, Beese, L.S.
登録日2011-08-19
公開日2011-10-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
1RWJ
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BU of 1rwj by Molmil
c7-type three-heme cytochrome domain
分子名称: Cytochrome c family protein, HEME C
著者Pokkuluri, P.R, Londer, Y.Y, Duke, N.E.C, Erickson, J, Pessanha, M, Salgueiro, C.A, Schiffer, M.
登録日2003-12-16
公開日2004-08-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of a novel c7-type three-heme cytochrome domain from a multidomain cytochrome c polymer.
Protein Sci., 13, 2004
3EEA
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BU of 3eea by Molmil
The crystal structure of the GAF domain/HD domain protein from Geobacter sulfurreducens
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, GAF domain/HD domain protein
著者Zhang, R, Hatzos, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-09-04
公開日2008-11-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of the GAF domain/HD domain protein from Geobacter sulfurreducens
To be Published
3VPO
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BU of 3vpo by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
分子名称: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
著者Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
登録日2012-03-05
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Essential role of E106 in the proton-coupled electron transfer in human
to be published
5I06
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BU of 5i06 by Molmil
tRNA-guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 1,2-ETHANEDIOL, 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-02-03
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
2B2W
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BU of 2b2w by Molmil
Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4
分子名称: Chromodomain-helicase-DNA-binding protein 1, Histone H3
著者Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S.
登録日2005-09-19
公開日2005-12-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
4OAO
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BU of 4oao by Molmil
A mutant of Axe2 (R55A), and acetyl-xylooligosaccharide esterase from Geobacillus Stearmophilus
分子名称: Acetyl xylan esterase, CHLORIDE ION, GLYCEROL
著者Lansky, S, Alalouf, O, Solomon, H.V, Belrhali, H, Shoham, Y, Shoham, G.
登録日2014-01-06
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A mutant of Axe2 (R55A), and acetyl-xylooligosaccharide esterase from Geobacillus Stearmophilus
To be Published
4OEJ
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BU of 4oej by Molmil
Structure of membrane binding protein pleurotolysin B from Pleurotus ostreatus
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Dunstone, M.A, Caradoc-Davies, T.T, Whisstock, J.C, Law, R.H.P.
登録日2014-01-13
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
5I00
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BU of 5i00 by Molmil
tRNA guanine transglycosylase (TGT) in co-crystallized complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 1,2-ETHANEDIOL, 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-02-03
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
8B4H
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BU of 8b4h by Molmil
IstA transposase cleaved donor complex
分子名称: DNA (55-MER) / right IS21 transposon end (insertion sequence IS5376), DNA (57-MER) / right IS21 transposon end (insertion sequence IS5376), MAGNESIUM ION, ...
著者Spinola-Amilibia, M, de la Gandara, A, Araujo-Bazan, L, Berger, J.M, Arias-Palomo, E.
登録日2022-09-20
公開日2023-05-03
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献IS21 family transposase cleaved donor complex traps two right-handed superhelical crossings.
Nat Commun, 14, 2023

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