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4WQ9
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BU of 4wq9 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - dithionite soak
分子名称: 1,2-ETHANEDIOL, HEME C, HYDROSULFURIC ACID, ...
著者Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
登録日2014-10-21
公開日2015-02-18
最終更新日2021-09-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
5LKB
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BU of 5lkb by Molmil
Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae
分子名称: GLYCEROL, Glutathione S-transferase omega-like 2
著者Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F.
登録日2016-07-22
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of Saccharomyces cerevisiae ECM4, a Xi-Class Glutathione Transferase that Reacts with Glutathionyl-(hydro)quinones.
Plos One, 11, 2016
8JLA
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BU of 8jla by Molmil
Cryo-EM structure of the human nucleosome lacking N-terminal region of H2A, H2B, H3, and H4
分子名称: DNA (193-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Oishi, T, Hatazawa, S, Kujirai, T, Kato, J, Kobayashi, Y, Ogasawara, M, Akatsu, M, Takizawa, Y, Kurumizaka, H.
登録日2023-06-02
公開日2023-10-04
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Contributions of histone tail clipping and acetylation in nucleosome transcription by RNA polymerase II.
Nucleic Acids Res., 51, 2023
6TOT
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BU of 6tot by Molmil
Crystal structure of the Orexin-1 receptor in complex with lemborexant
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 1, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-11
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
5LFP
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BU of 5lfp by Molmil
Crystal Structure of the Bacterial Proteasome Activator Bpa of Mycobacterium tuberculosis (space group P6322, SeMet)
分子名称: Bacterial proteasome activator
著者Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E.
登録日2016-07-04
公開日2016-11-23
最終更新日2016-12-14
実験手法X-RAY DIFFRACTION (3.303 Å)
主引用文献Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome.
Structure, 24, 2016
6TP3
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BU of 6tp3 by Molmil
Crystal structure of the Orexin-1 receptor in complex with daridorexant
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Orexin receptor type 1, SULFATE ION, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-12
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
7MSA
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BU of 7msa by Molmil
GDC-9545 in complex with estrogen receptor alpha
分子名称: (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol, Estrogen receptor
著者Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F.
登録日2021-05-10
公開日2021-06-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献GDC-9545 (Giredestrant): A Potent and Orally Bioavailable Selective Estrogen Receptor Antagonist and Degrader with an Exceptional Preclinical Profile for ER+ Breast Cancer.
J.Med.Chem., 64, 2021
3VNZ
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BU of 3vnz by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with D-glucuronic acid
分子名称: GLYCEROL, PHOSPHATE ION, beta-D-glucopyranuronic acid, ...
著者Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Kaneko, S.
登録日2012-01-18
公開日2012-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum
J.Biol.Chem., 287, 2012
5LPI
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BU of 5lpi by Molmil
Structure of the zinc finger array of Cep104
分子名称: Centrosomal protein of 104 kDa, ZINC ION
著者van Breugel, M, Yu, M, al Jassar, C.
登録日2016-08-13
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Ciliopathy-Associated Cep104 Protein Interacts with Tubulin and Nek1 Kinase.
Structure, 25, 2017
3VXV
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BU of 3vxv by Molmil
Crystal structure of methyl CpG Binding Domain of MBD4 in complex with the 5mCG/TG sequence
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)-3'), ...
著者Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M.
登録日2012-09-21
公開日2013-01-16
最終更新日2013-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the versatile DNA recognition ability of the methyl-CpG binding domain of methyl-CpG binding domain protein 4
J.Biol.Chem., 288, 2013
5LTO
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BU of 5lto by Molmil
Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Gln
分子名称: GLUTAMINE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ...
著者Gavira, J.A, Rico-Jimenez, M, Conejero-Muriel, M, Krell, T.
登録日2016-09-07
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.459 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
5EF4
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BU of 5ef4 by Molmil
2.05 A crystal structure of the Amb a 11 cysteine protease, a major ragweed pollen allergen, in its proform
分子名称: Cysteine protease, GLYCEROL
著者Briozzo, P, Kopecny, D, Savko, M.
登録日2015-10-23
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and Functional Characterization of the Major Allergen Amb a 11 from Short Ragweed Pollen.
J.Biol.Chem., 291, 2016
5LT9
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BU of 5lt9 by Molmil
Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Arg
分子名称: ARGININE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ...
著者Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
登録日2016-09-06
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
5LG7
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BU of 5lg7 by Molmil
Solution NMR structure of Tryptophan to Arginine mutant of Arkadia RING domain
分子名称: E3 ubiquitin-protein ligase Arkadia, ZINC ION
著者Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
登録日2016-07-06
公開日2017-06-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
2RFI
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BU of 2rfi by Molmil
Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and dimethylated H3K9 peptide
分子名称: Histone H3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Min, J, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2007-09-30
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
5LYW
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BU of 5lyw by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 6-((R)-2-o-Tolyloxymethyl-pyrrolidin-1-yl)-9H-purine
分子名称: 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Musil, D, Heinrich, T, Knoechel, T, Lehmann, M.
登録日2016-09-28
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.
Bioorg. Med. Chem. Lett., 27, 2017
5LZP
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BU of 5lzp by Molmil
Binding of the C-terminal GQYL motif of the bacterial proteasome activator Bpa to the 20S proteasome
分子名称: Bacterial proteasome activator, Proteasome subunit alpha, Proteasome subunit beta
著者Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E.
登録日2016-09-30
公開日2016-11-23
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome.
Structure, 24, 2016
2G5F
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BU of 2g5f by Molmil
The structure of MbtI from Mycobacterium Tuberculosis, the first enzyme in the synthesis of Mycobactin, reveals it to be a salicylate synthase
分子名称: COG0147: Anthranilate/para-aminobenzoate synthases component I, GLYCEROL, IMIDAZOLE, ...
著者Harrison, A.J, Lott, J.S, Yu, M, Ramsay, R, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2006-02-22
公開日2006-09-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of MbtI from Mycobacterium tuberculosis, the First Enzyme in the Biosynthesis of the Siderophore Mycobactin, Reveals It To Be a Salicylate Synthase
J.Bacteriol., 188, 2006
5M03
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BU of 5m03 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose
分子名称: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2016-10-03
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5M06
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BU of 5m06 by Molmil
Crystal structure of Mycobacterium tuberculosis PknI kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Serine/threonine-protein kinase PknI
著者Wagner, T, Lisa, M.N, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M.
登録日2016-10-03
公開日2017-01-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017
5M07
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BU of 5m07 by Molmil
Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A mutant
分子名称: SODIUM ION, Serine/threonine-protein kinase PknI
著者Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M.
登録日2016-10-03
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017
3VNY
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BU of 3vny by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum
分子名称: GLYCEROL, PHOSPHATE ION, beta-GLUCURONIDASE
著者Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Kaneko, S.
登録日2012-01-18
公開日2012-02-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum
J.Biol.Chem., 287, 2012
5M08
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Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136A double mutant
分子名称: Serine/threonine-protein kinase PknI
著者Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M.
登録日2016-10-03
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017
5LN4
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BU of 5ln4 by Molmil
Crystal structure of self-complemented PsaA, the major subunit of pH 6 antigen from Yersinia pests, in complex with choline
分子名称: CHOLINE ION, pH 6 antigen,pH 6 antigen
著者Pakharukova, N.A, Roy, S, Rahman, M.M, Tuitilla, M, Zavialov, A.V.
登録日2016-08-03
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues.
Mol.Microbiol., 102, 2016
5M09
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Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136N double mutant
分子名称: SODIUM ION, Serine/threonine-protein kinase PknI
著者Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M.
登録日2016-10-03
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017

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