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6OEA
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BU of 6oea by Molmil
Crystal structure of HMCES SRAP domain in complex with longer 3' overhang DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*TP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ...
著者Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-03-27
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
6U49
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BU of 6u49 by Molmil
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
分子名称: Alpha-hemolysin, SULFATE ION, fos-choline-14
著者Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M.
登録日2019-08-23
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
4HJM
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BU of 4hjm by Molmil
Crystal structure of Glutaredoxin 1 from Plasmodium falciparum (PfGrx1) solved by S-SAD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin
著者Manickam, Y, Sharma, A.
登録日2012-10-13
公開日2013-12-25
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.5462 Å)
主引用文献Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
6OEU
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BU of 6oeu by Molmil
Structure of human Patched1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1
著者Qi, X, Li, X, Wang, J.
登録日2019-03-27
公開日2019-04-10
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of human Patched and its complex with native palmitoylated sonic hedgehog.
Nature, 560, 2018
6OEW
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BU of 6oew by Molmil
Structure of a Cytidylyltransferase from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytidylyltransferase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-03-27
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a Cytidylyltransferase from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
to be published
6S0F
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BU of 6s0f by Molmil
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
著者Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
登録日2019-06-14
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
6S2G
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BU of 6s2g by Molmil
Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And Epigallocatechin Gallate (Egcg)
分子名称: (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-06-20
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous.
Sci Rep, 9, 2019
6ORF
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BU of 6orf by Molmil
Crystal structure of SpGH29
分子名称: 1,2-ETHANEDIOL, SpGH29, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose
著者Pluvinage, B, Boraston, A.B.
登録日2019-04-30
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
6U9D
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BU of 6u9d by Molmil
Saccharomyces cerevisiae acetohydroxyacid synthase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Acetolactate synthase catalytic subunit, mitochondrial, ...
著者Guddat, L.W, Lonhienne, T.
登録日2019-09-08
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.194 Å)
主引用文献Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
3INQ
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BU of 3inq by Molmil
Crystal structure of BCL-XL in complex with W1191542
分子名称: 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ...
著者Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F.
登録日2009-08-12
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands
J. Biol. Chem., 284, 2009
6OWO
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BU of 6owo by Molmil
CRYO-EM STRUCTURE OF PHOSPHORYLATED AP-2 CORE BOUND TO NECAP
分子名称: AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
著者Partlow, E.A, Baker, R.W, Beacham, G.M, Chappie, J.S, Leschziner, A.E, Hollopeter, G.
登録日2019-05-10
公開日2019-09-11
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A structural mechanism for phosphorylation-dependent inactivation of the AP2 complex.
Elife, 8, 2019
6S4M
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BU of 6s4m by Molmil
Crystal structure of the human organic anion transporter MFSD10 (TETRAN)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Major facilitator superfamily domain-containing protein 10
著者Pascoa, T.C, Pike, A.C.W, Bushell, S.R, Quigley, A, Chu, A, Mukhopadhyay, S.M.M, Shrestha, L, Venkaya, S, Chalk, R, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-06-28
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the human organic anion transporter TETRAN (MFSD10)
To be published
6UHM
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BU of 6uhm by Molmil
Crystal Structure of a Physical Mixture of C148 mGFP and scDNA-1
分子名称: C148 mGFP
著者Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
登録日2019-09-27
公開日2020-03-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
3VGO
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BU of 3vgo by Molmil
Crystal structure of the N-terminal fragment of Cbl-b
分子名称: E3 ubiquitin-protein ligase CBL-B
著者Kobashigawa, Y, Noda, N.N, Inagaki, F.
登録日2011-08-18
公開日2011-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Autoinhibition and phosphorylation-induced activation mechanisms of human cancer and autoimmune disease-related E3 protein Cbl-b
Proc.Natl.Acad.Sci.USA, 108, 2011
6OR4
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BU of 6or4 by Molmil
Crystal structure of SpGH29
分子名称: Glycoside hydrolase, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Pluvinage, B, Boraston, A.B.
登録日2019-04-29
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
6UOG
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BU of 6uog by Molmil
Asparaginase II from Escherichia coli
分子名称: ASPARTIC ACID, L-asparaginase 2
著者Araujo, T.S, Almeida, M.S, Lima, L.M.T.R.
登録日2019-10-14
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2.
Biophys.Chem., 271, 2021
6S7L
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BU of 6s7l by Molmil
Arbitrium receptor from a Bacillus subtilis Katmira33 phage
分子名称: Arbitrium receptor, GLY-ILE-VAL-ARG-GLY-ALA, GLYCEROL
著者Marina, A, Gallego del Sol, F.
登録日2019-07-05
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insights into the mechanism of action of the arbitrium communication system in SPbeta phages.
Nat Commun, 13, 2022
6UQS
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BU of 6uqs by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
分子名称: 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, CHLORIDE ION
著者Scapin, G.
登録日2019-10-21
公開日2019-10-30
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
4HYK
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BU of 4hyk by Molmil
Dbh Ternary Complex (substrates partially disordered)
分子名称: DNA (5'-D(*GP*GP*GP*AP*AP*GP*CP*CP*GP*G)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*CP*CP*CP*CP*GP*GP*CP*TP*TP*CP*CP*C)-3'), DNA polymerase IV
著者Pata, J.D, Wilson, R.C.
登録日2012-11-13
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013
4DUM
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BU of 4dum by Molmil
Co-crystal structure of eIF4E with inhibitor
分子名称: (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E
著者Min, X, Johnstone, S, Walker, N, Wang, Z.
登録日2012-02-22
公開日2012-04-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
4DDO
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BU of 4ddo by Molmil
Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase ii from burkholderia vietnamiensis
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-01-19
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3IC2
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BU of 3ic2 by Molmil
Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-266
分子名称: 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P.
登録日2009-07-17
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents
To be Published
3VWQ
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BU of 3vwq by Molmil
6-aminohexanoate-dimer hydrolase S112A/G181D/R187A/H266N/D370Y mutant complexd with 6-aminohexanoate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
to be published
6OP7
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BU of 6op7 by Molmil
Structure of oxidized VIM-20
分子名称: ACETATE ION, Metallo-beta-lactamase VIM-20, ZINC ION
著者Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C.
登録日2019-04-24
公開日2019-10-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
4HJX
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BU of 4hjx by Molmil
Crystal structure of F2YRS complexed with F2Y
分子名称: 3,5-difluoro-L-tyrosine, Tyrosine-tRNA ligase
著者Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W.
登録日2012-10-14
公開日2013-03-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013

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