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6LZ2
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BU of 6lz2 by Molmil
Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb44)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
著者Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D.
登録日2020-02-17
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献An improved fluorescent tag and its nanobodies for membrane protein expression, stability assay, and purification.
Commun Biol, 3, 2020
3KII
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BU of 3kii by Molmil
AGAO 5-phenoxy-2,3-pentadienylamine complex
分子名称: COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ...
著者Nguyen, Y.H, Ernberg, K.E, Guss, J.M.
登録日2009-11-02
公開日2010-10-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AGAO 5-phenoxy-2,3-pentadienylamine complex
To be Published
5C9F
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BU of 5c9f by Molmil
Crystal structure of a retropepsin-like aspartic protease from Rickettsia conorii
分子名称: ApRick protease, CHLORIDE ION, SODIUM ION
著者Li, M, Gustchina, A, Cruz, R, Simoes, M, Curto, P, Martinez, J, Faro, C, Simoes, I, Wlodawer, A.
登録日2015-06-26
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of RC1339/APRc from Rickettsia conorii, a retropepsin-like aspartic protease.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
3JPP
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BU of 3jpp by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-MonoMethyl Methylene triphosphate
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
著者Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
登録日2009-09-04
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
6GB2
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BU of 6gb2 by Molmil
Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the 39S ribosomal subunit.
分子名称: 'Mitochondrial ribosomal protein L30, 'Mitochondrial ribosomal protein L55, 'Mitochondrial ribosomal protein L59, ...
著者Kummer, E, Leibundgut, M, Boehringer, D, Ban, N.
登録日2018-04-13
公開日2018-08-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
6NSI
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BU of 6nsi by Molmil
Crystal structure of Fe(III)-bound YtgA from Chlamydia trachomatis
分子名称: CALCIUM ION, FE (III) ION, Manganese-binding protein, ...
著者Luo, Z, Campbell, R, Begg, S.L, Kobe, B, McDevitt, C.A.
登録日2019-01-24
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.00006342 Å)
主引用文献Structure and Metal Binding Properties of Chlamydia trachomatis YtgA.
J.Bacteriol., 202, 2019
4YMN
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BU of 4ymn by Molmil
Structure of human DNA polymerase beta complexed with N7BG in the template base paired with incoming non-hydrolyzable CTP
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA 10-mer (up-primer), DNA 16-mer (template), ...
著者Lee, S, Koag, M.-C.
登録日2015-03-06
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.591 Å)
主引用文献Structural and kinetic studies of the effect of guanine-N7 alkylation and metal cofactors on DNA replication.
Biochemistry, 2018
6NIB
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BU of 6nib by Molmil
Crystal Structure of Medicago truncatula Agmatine Iminohydrolase (Deiminase)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Porphyromonas-type peptidyl-arginine deiminase, ...
著者Sekula, B, Dauter, Z.
登録日2018-12-27
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Study of Agmatine Iminohydrolase FromMedicago truncatula, the Second Enzyme of the Agmatine Route of Putrescine Biosynthesis in Plants.
Front Plant Sci, 10, 2019
6FRN
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BU of 6frn by Molmil
Structure of F420H2 oxidase (FprA) co-crystallized with 10mM Tb-Xo4 and calcium chloride
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, F420H2 oxidase (FprA), ...
著者Engilberge, S, Riobe, F, Di Pietro, S, Wagner, T, Shima, S, Girard, E, Dumont, E, Maury, O.
登録日2018-02-16
公開日2018-10-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
6FT9
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BU of 6ft9 by Molmil
Crystal structure of CLK1 in complex with inhibitor 16
分子名称: 2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, BROMIDE ION, Dual specificity protein kinase CLK1, ...
著者Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-02-20
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
6NLA
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BU of 6nla by Molmil
Crystal structure of de novo designed metal-controlled dimer of B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-zinc
分子名称: CHLORIDE ION, GLYCEROL, Immunoglobulin G-binding protein G, ...
著者Maniaci, B, Stec, B, Huxford, T.
登録日2019-01-08
公開日2019-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
4YIL
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BU of 4yil by Molmil
OYE1 W116A COMPLEXED WITH (Z)-METHYL 3-CYANO-3-(4-FLUOROPHENYL)ACRYLATE IN A NON PRODUCTIVE BINDING MODE
分子名称: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, NADPH dehydrogenase 1, ...
著者Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W.
登録日2015-03-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams
Adv.Synth.Catal., 357, 2015
4YN4
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BU of 4yn4 by Molmil
Structure of human DNA polymerase beta complexed with N7BG in the template opposite to incoming non-hydrolyzable dTTP WITH MANGANESE IN THE ACTIVE SITE
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA 10-mer (up-primer), DNA 16-mer (template), ...
著者Lee, S, Koag, M.-C.
登録日2015-03-09
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Structural and kinetic studies of the effect of guanine-N7 alkylation and metal cofactors on DNA replication.
Biochemistry, 2018
6N2S
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BU of 6n2s by Molmil
Ternary complex crystal structure of DNA polymerase Beta with 5-carboxy-dC (5-caC) at the templating position
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*(1CC)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2018-11-14
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.457 Å)
主引用文献Molecular basis for the faithful replication of 5-methylcytosine and its oxidized forms by DNA polymerase beta.
J.Biol.Chem., 294, 2019
4YWB
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BU of 4ywb by Molmil
Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid and oxalic acid
分子名称: 3-sulfanylpyridine-2-carboxylic acid, CHLORIDE ION, MANGANESE (II) ION, ...
著者Balan, M.D, Johnson, T.A, Lotosky, W.R, Mcleod, M.J, Holyoak, T.
登録日2015-03-20
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid.
Biochemistry, 54, 2015
4YU6
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BU of 4yu6 by Molmil
Crystal structure of Bacillus anthracis immune inhibitor A2 peptidase zymogen
分子名称: ACETONITRILE, CALCIUM ION, Immune inhibitor A, ...
著者Arolas, J.L, Goulas, T, Gomis-Ruth, F.X.
登録日2015-03-18
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome.
Structure, 24, 2016
6NE6
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BU of 6ne6 by Molmil
Crystal Structure of heterotrimeric G-protein alpha subunit Galpha7 from Naegleria fowleri
分子名称: 1,2-ETHANEDIOL, G-protein alpha subunit Galpha7, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-17
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of heterotrimeric G-protein alpha subunit Galpha7 from Naegleria fowleri
To Be Published
3K6A
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BU of 3k6a by Molmil
Crystal structure of molybdenum cofactor biosynthesis protein mog from shewanella oneidensis
分子名称: Molybdenum cofactor biosynthesis protein Mog, SODIUM ION
著者Chang, C, Bigelow, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-10-08
公開日2009-10-20
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure of Molybdenum Cofactor Biosynthesis Protein Mog from Shewanella Oneidensis
To be Published
2WWF
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BU of 2wwf by Molmil
Plasmodium falciparum thymidylate kinase in complex with TMP and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, SODIUM ION, ...
著者Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D.
登録日2009-10-23
公開日2010-04-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
6NU7
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BU of 6nu7 by Molmil
Structure of sucrose-6-phosphate hydrolase from Lactobacillus gasseri
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, ...
著者Lima, M.Z.T, Muniz, J.R.C.
登録日2019-01-31
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of sucrose-6-phosphate hydrolase from Lactobacillus gasseri
To Be Published
6NXX
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BU of 6nxx by Molmil
Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218K mutant
分子名称: SODIUM ION, Triosephosphate isomerase, cytosolic
著者Jimenez-Sandoval, P, Fuentes-Pascacio, A, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G.
登録日2019-02-10
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
2WOV
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BU of 2wov by Molmil
Trypanosoma brucei trypanothione reductase with bound NADP.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
著者Alphey, M.S, Fairlamb, A.H.
登録日2009-07-30
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
3JPS
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BU of 3jps by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro methyl methylene triphosphate
分子名称: 2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
著者Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
登録日2009-09-04
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
6FYZ
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BU of 6fyz by Molmil
Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor
分子名称: (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide, Histone deacetylase 4, SODIUM ION, ...
著者Luckhurst, C.A, Maillard, M.C, Dominguez, C.
登録日2018-03-13
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor.
Bioorg. Med. Chem. Lett., 29, 2019
6G3S
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BU of 6g3s by Molmil
Structure of tellurium-centred Anderson-Evans polyoxotungstate (TEW) bound to the nucleotide binding domain of HSP70. Second structure of two TEW-HSP70 structures deposited.
分子名称: 6-tungstotellurate(VI), ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1A, ...
著者Mac Sweeney, A, Chambovey, A, Wicki, M, Mueller, M, Artico, N, Lange, R, Bijelic, A, Breibeck, J, Rompel, A.
登録日2018-03-26
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018

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