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7MZP
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BU of 7mzp by Molmil
Crystal structure of the UclD lectin-binding domain
分子名称: F17-like fimbril adhesin subunit UclD, IODIDE ION
著者Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
登録日2021-05-24
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
7MZR
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Crystal structure of the UcaD lectin-binding domain in complex with glucose
分子名称: CHLORIDE ION, Fimbrial adhesin UcaD, beta-D-glucopyranose
著者Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
登録日2021-05-24
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
4I4K
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BU of 4i4k by Molmil
Streptomyces globisporus C-1027 9-membered enediyne conserved protein SgcE6
分子名称: CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ...
著者Kim, Y, Bigelow, L, Clancy, S, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2012-11-27
公開日2012-12-12
最終更新日2016-12-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of SgcJ, an NTF2-like superfamily protein involved in biosynthesis of the nine-membered enediyne antitumor antibiotic C-1027.
J Antibiot (Tokyo), 69, 2016
4IAG
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BU of 4iag by Molmil
Crystal structure of ZbmA, the zorbamycin binding protein from Streptomyces flavoviridis
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Zbm binding protein
著者Cuff, M.E, Bigelow, L, Bruno, C.J.P, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2012-12-06
公開日2013-02-20
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
8DEH
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BU of 8deh by Molmil
Ankyrin domain of SKD3
分子名称: Caseinolytic peptidase B protein homolog
著者Lee, S, Tsai, F.T.F.
登録日2022-06-20
公開日2023-04-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.815 Å)
主引用文献Structural basis of impaired disaggregase function in the oxidation-sensitive SKD3 mutant causing 3-methylglutaconic aciduria.
Nat Commun, 14, 2023
3LC3
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BU of 3lc3 by Molmil
Benzothiophene Inhibitors of Factor IXa
分子名称: 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION, Coagulation factor IX
著者Wang, S, Beck, R.
登録日2010-01-09
公開日2010-02-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Studies of Benzothiophene Template as Potent Factor IXa (FIXa) Inhibitors in Thrombosis.
J.Med.Chem., 53, 2010
8E4V
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BU of 8e4v by Molmil
Solution structure of the WH domain of MORF
分子名称: Isoform 3 of Histone acetyltransferase KAT6B
著者Zhang, Y, Kutateladze, T.G.
登録日2022-08-19
公開日2023-05-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献MORF and MOZ acetyltransferases target unmethylated CpG islands through the winged helix domain.
Nat Commun, 14, 2023
8SQX
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BU of 8sqx by Molmil
Solution structure of the basal pilin SpaB from Corynebacterium diphtheriae
分子名称: Putative surface anchored protein
著者Sue, C.K, Mahoney, B.J, Cheung, N.A, Clubb, R.T.
登録日2023-05-04
公開日2023-06-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The basal and major pilins in the Corynebacterium diphtheriae SpaA pilus adopt similar structures that competitively react with the pilin polymerase.
Biopolymers, 115, 2024
3QYF
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BU of 3qyf by Molmil
Crystal structure of the CRISPR-associated protein SSO1393 from Sulfolobus solfataricus
分子名称: CRISPR-ASSOCIATED PROTEIN, MAGNESIUM ION
著者Petit, P, Xu, X, Chang, C, Savchenko, A, Yakunin, A.F.
登録日2011-03-03
公開日2011-03-23
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the CRISPR-associated protein SSO1393 from Sulfolobus solfataricus
To be Published
5C00
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BU of 5c00 by Molmil
MdbA protein, a thiol-disulfide oxidoreductase from Corynebacterium diphtheriae
分子名称: MdbA protein
著者OSIPIUK, J, REARDON-ROBINSON, M.E, TON-THAT, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-06-11
公開日2015-07-15
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A thiol-disulfide oxidoreductase of the Gram-positive pathogen Corynebacterium diphtheriae is essential for viability, pilus assembly, toxin production and virulence.
Mol.Microbiol., 98, 2015
4HSS
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BU of 4hss by Molmil
Structure of the Full-Length Major Pilin SpaD from Corynebacterium diphtheriae
分子名称: CALCIUM ION, Putative fimbrial subunit
著者Paterson, N.G, Kang, H.J, Baker, E.N.
登録日2012-10-30
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A slow-forming isopeptide bond in the structure of the major pilin SpaD from Corynebacterium diphtheriae has implications for pilus assembly.
Acta Crystallogr.,Sect.D, 70, 2014
4HSQ
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Crystal Structure of Domains D2 and D3 of the Major Pilin SpaD from Corynebacterium diphtheriae
分子名称: CALCIUM ION, Putative fimbrial subunit
著者Paterson, N.G, Kang, H.J, Baker, E.N.
登録日2012-10-30
公開日2013-11-13
最終更新日2014-06-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A slow-forming isopeptide bond in the structure of the major pilin SpaD from Corynebacterium diphtheriae has implications for pilus assembly.
Acta Crystallogr.,Sect.D, 70, 2014
3TX6
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BU of 3tx6 by Molmil
The Structure of a putative ABC-transporter periplasmic component from Rhodopseudomonas palustris
分子名称: 1,2-ETHANEDIOL, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, ...
著者Cuff, M.E, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-09-22
公開日2011-11-09
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
4EVR
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BU of 4evr by Molmil
Crystal structure of ABC transporter from R. palustris - solute binding protein (RPA0668) in complex with benzoate
分子名称: BENZOIC ACID, Putative ABC transporter subunit, substrate-binding component
著者Michalska, K, Mack, J.C, Zerbs, S, Collart, F.R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-04-26
公開日2012-05-23
最終更新日2013-01-09
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins.
J.Mol.Biol., 423, 2012
4EVQ
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BU of 4evq by Molmil
Crystal structure of ABC transporter from R. palustris - solute binding protein (RPA0668) in complex with 4-hydroxybenzoate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Michalska, K, Mack, J.C, Zerbs, S, Collart, F.R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-04-26
公開日2012-05-23
最終更新日2013-01-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins.
J.Mol.Biol., 423, 2012
4ASG
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BU of 4asg by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, NICKEL (II) ION, [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
著者Roe, S.M, Prodromou, C.
登録日2012-05-01
公開日2013-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein Hsp90.
Nat.Chem., 5, 2013
4ASA
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BU of 4asa by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, CHLORIDE ION, [(3R,5S,6R,7R,12E)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
著者Roe, S.M, Prodromou, C.
登録日2012-04-30
公開日2013-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein Hsp90.
Nat.Chem., 5, 2013
4GE4
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BU of 4ge4 by Molmil
Kynurenine Aminotransferase II Inhibitors
分子名称: (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
著者Pandit, J.
登録日2012-08-01
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
6KP7
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BU of 6kp7 by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12154
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-08-14
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6KP2
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Quadruple mutant plasmodium falciparum dihydrofolate reductase complexed with B10042
分子名称: 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-08-14
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
4F8J
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BU of 4f8j by Molmil
The structure of an aromatic compound transport protein from Rhodopseudomonas palustris in complex with p-coumarate
分子名称: 4'-HYDROXYCINNAMIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Cuff, M.E, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-05-17
公開日2012-09-26
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
4K6Z
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The Jak1 kinase domain in complex with compound 37
分子名称: (1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile, Tyrosine-protein kinase JAK1
著者Fong, R, Lupardus, P.J.
登録日2013-04-16
公開日2013-10-02
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4K77
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JAK1 kinase (JH1 domain) in complex with compound 6
分子名称: 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Shia, S.
登録日2013-04-16
公開日2013-10-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6KOT
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Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12128 and NADPH
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-08-13
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6KPR
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Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12155 inhibitor
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vanichtanankul, J, Vitsupakorn, D.
登録日2019-08-15
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019

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