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6DEN
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BU of 6den by Molmil
Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide iodomuron ethyl
分子名称: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, CARBON DIOXIDE, ...
著者Garcia, M.D, Guddat, L.W.
登録日2018-05-12
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.806 Å)
主引用文献Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8R06
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BU of 8r06 by Molmil
CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
分子名称: (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ...
著者Offen, W.A, Davies, G.J, Breen, I.Z.
登録日2023-10-30
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
JACS, 40, 2017
7U20
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BU of 7u20 by Molmil
Crystal structure of human METTL1 and WDR4 complex
分子名称: SULFATE ION, tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4
著者Li, J, Nowak, R.P, Fischer, E.S, Gregory, R.
登録日2022-02-22
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
5VO4
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BU of 5vo4 by Molmil
Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile
分子名称: 5-(2-fluoro-4-hydroxyphenyl)-1-methyl-1H-pyrrole-2-carbonitrile, Androgen receptor
著者Parris, K, Unwalla, R.
登録日2017-05-02
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators.
J. Med. Chem., 60, 2017
8CAO
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BU of 8cao by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CA24
分子名称: 1,2-ETHANEDIOL, 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione, DI(HYDROXYETHYL)ETHER, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAP
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BU of 8cap by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CB28
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative ferric reductase, [4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAL
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BU of 8cal by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M34
分子名称: 3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CB0
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BU of 8cb0 by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 and NADP+
分子名称: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAK
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BU of 8cak by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41
分子名称: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, DIMETHYL SULFOXIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
7LAT
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BU of 7lat by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with Mg2+
分子名称: Ketol-acid reductoisomerase, MAGNESIUM ION
著者Guddat, L.W.
登録日2021-01-06
公開日2022-01-12
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8P66
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BU of 8p66 by Molmil
Structural basis of aggregate binding/recognition by the AAA+ disaggregase ClpG
分子名称: Clp protease ClpC,Heat shock survival AAA family ATPase ClpK, ZINC ION
著者Simon, B, Hennig, J, Mogk, A.
登録日2023-05-25
公開日2023-11-01
最終更新日2023-11-22
実験手法SOLUTION NMR
主引用文献Structural basis of aggregate binding by the AAA+ disaggregase ClpG.
J.Biol.Chem., 299, 2023
6PCZ
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BU of 6pcz by Molmil
Crystal structure of the bacterial cellulose synthase subunit G (BcsG) catalytic domain from Escherichia coli, selenomethionine variant
分子名称: Cellulose biosynthesis protein BcsG, MAGNESIUM ION, ZINC ION
著者Anderson, A.C, Brenner, T, Weadge, J.T.
登録日2019-06-18
公開日2020-03-18
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献TheEscherichia colicellulose synthase subunit G (BcsG) is a Zn2+-dependent phosphoethanolamine transferase.
J.Biol.Chem., 295, 2020
7MYX
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BU of 7myx by Molmil
Crystal structure of the PH domain (R86A) of Akt1
分子名称: RAC-alpha serine/threonine-protein kinase
著者Bae, H, Park, E, Cole, P.A, Eck, M.J.
登録日2021-05-22
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献PH domain-mediated autoinhibition and oncogenic activation of Akt.
Elife, 11, 2022
6VJ7
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BU of 6vj7 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S.
登録日2020-01-15
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
4ZRZ
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BU of 4zrz by Molmil
PlyCB mutant R66E
分子名称: PlyCB
著者Gallagher, D.T, Nelson, D.C, Shen, Y.
登録日2015-05-12
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A bacteriophage endolysin that eliminates intracellular streptococci.
Elife, 5, 2016
6GSF
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BU of 6gsf by Molmil
Solution structure of lipase binding domain LID1 of foldase from Pseudomonas aeruginosa
分子名称: Lipase chaperone
著者Viegas, A, Jaeger, K.-E, Etzkorn, M, Gohlke, H, Verma, N, Dollinger, P, Kovacic, F.
登録日2018-06-14
公開日2018-12-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation.
Sci Rep, 10, 2020
3W09
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BU of 3w09 by Molmil
Influenza virus neuraminidase subtype N9 (TERN) complexed with 2,3-dif guanidino-neu5ac2en inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid, ...
著者Streltsov, V.A.
登録日2012-10-25
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism-based covalent neuraminidase inhibitors with broad-spectrum influenza antiviral activity
Science, 340, 2013
5OVM
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BU of 5ovm by Molmil
Solution structure of lipase binding domain LID1 of foldase from Pseudomonas aeruginosa
分子名称: Lipase chaperone
著者Viegas, A, Jaeger, K.-E, Etzkorn, M, Gohlke, H, Verma, N, Dollinger, P, Kovacic, F.
登録日2017-08-29
公開日2018-12-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation.
Sci Rep, 10, 2020
7K9R
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BU of 7k9r by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain
分子名称: CHLORIDE ION, Hsp90-like protein
著者Kuntz, D.A, Kenney, T, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7KE2
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BU of 7ke2 by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+ and NSC116565
分子名称: 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION
著者Kurz, J.L, Patel, K.P, Guddat, L.W.
登録日2020-10-09
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase.
Chemistry, 27, 2021
7JVX
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BU of 7jvx by Molmil
Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED)
分子名称: PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-24
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
7JUK
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BU of 7juk by Molmil
Crystal structure of PTEN with a tetra-phosphorylated tail (4p-crPTEN-13sp-T2, SDTTDSDPENEG)
分子名称: PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-19
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
7JUL
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BU of 7jul by Molmil
Crystal structure of non phosphorylated PTEN (n-crPTEN-13sp-T1, SDTTDSDPENEG)
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-20
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
7JTX
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BU of 7jtx by Molmil
the structural basis of PTEN regulation by multi-site phosphorylation
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Park, E, Dempsey, D.R, Cole, P.
登録日2020-08-18
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
7KH7
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BU of 7kh7 by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+, NADPH, and NSC116565
分子名称: 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ...
著者Kurz, J.L, Patel, K.P, Guddat, L.W.
登録日2020-10-20
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase.
Chemistry, 27, 2021
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