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7MZP
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BU of 7mzp by Molmil
Crystal structure of the UclD lectin-binding domain
Descriptor: F17-like fimbril adhesin subunit UclD, IODIDE ION
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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BU of 7mzr by Molmil
Crystal structure of the UcaD lectin-binding domain in complex with glucose
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD, beta-D-glucopyranose
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ...
Authors: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)
Deposit date:2012-11-27
Release date:2012-12-12
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Zbm binding protein
Authors: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)
Deposit date:2012-12-06
Release date:2013-02-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Caseinolytic peptidase B protein homolog
Authors:Lee, S, Tsai, F.T.F.
Deposit date:2022-06-20
Release date:2023-04-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.815 Å)
Cite: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
Descriptor: 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION, Coagulation factor IX
Authors:Wang, S, Beck, R.
Deposit date:2010-01-09
Release date:2010-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Isoform 3 of Histone acetyltransferase KAT6B
Authors:Zhang, Y, Kutateladze, T.G.
Deposit date:2022-08-19
Release date:2023-05-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Putative surface anchored protein
Authors:Sue, C.K, Mahoney, B.J, Cheung, N.A, Clubb, R.T.
Deposit date:2023-05-04
Release date:2023-06-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: CRISPR-ASSOCIATED PROTEIN, MAGNESIUM ION
Authors:Petit, P, Xu, X, Chang, C, Savchenko, A, Yakunin, A.F.
Deposit date:2011-03-03
Release date:2011-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: MdbA protein
Authors:OSIPIUK, J, REARDON-ROBINSON, M.E, TON-THAT, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-11
Release date:2015-07-15
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: CALCIUM ION, Putative fimbrial subunit
Authors:Paterson, N.G, Kang, H.J, Baker, E.N.
Deposit date:2012-10-30
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 4hsq by Molmil
Crystal Structure of Domains D2 and D3 of the Major Pilin SpaD from Corynebacterium diphtheriae
Descriptor: CALCIUM ION, Putative fimbrial subunit
Authors:Paterson, N.G, Kang, H.J, Baker, E.N.
Deposit date:2012-10-30
Release date:2013-11-13
Last modified:2014-06-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, ...
Authors:Cuff, M.E, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-09-22
Release date:2011-11-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: BENZOIC ACID, Putative ABC transporter subunit, substrate-binding component
Authors:Michalska, K, Mack, J.C, Zerbs, S, Collart, F.R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-04-26
Release date:2012-05-23
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Michalska, K, Mack, J.C, Zerbs, S, Collart, F.R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-04-26
Release date:2012-05-23
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 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
Authors:Roe, S.M, Prodromou, C.
Deposit date:2012-05-01
Release date:2013-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Roe, S.M, Prodromou, C.
Deposit date:2012-04-30
Release date:2013-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: (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
Authors:Pandit, J.
Deposit date:2012-08-01
Release date:2012-11-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite: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
Descriptor: 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, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-14
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6KP2
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BU of 6kp2 by Molmil
Quadruple mutant plasmodium falciparum dihydrofolate reductase complexed with B10042
Descriptor: 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-14
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.973 Å)
Cite: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
Descriptor: 4'-HYDROXYCINNAMIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Cuff, M.E, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-05-17
Release date:2012-09-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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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BU of 4k6z by Molmil
The Jak1 kinase domain in complex with compound 37
Descriptor: (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
Authors:Fong, R, Lupardus, P.J.
Deposit date:2013-04-16
Release date:2013-10-02
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4K77
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BU of 4k77 by Molmil
JAK1 kinase (JH1 domain) in complex with compound 6
Descriptor: 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one, Tyrosine-protein kinase JAK1
Authors:Eigenbrot, C, Shia, S.
Deposit date:2013-04-16
Release date:2013-10-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6KOT
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BU of 6kot by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12128 and NADPH
Descriptor: 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, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-13
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6KPR
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BU of 6kpr by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12155 inhibitor
Descriptor: 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, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-15
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019

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