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4WQ9
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BU of 4wq9 by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - dithionite soak
Descriptor: 1,2-ETHANEDIOL, HEME C, HYDROSULFURIC ACID, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2021-09-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite: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
Descriptor: GLYCEROL, Glutathione S-transferase omega-like 2
Authors:Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F.
Deposit date:2016-07-22
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: DNA (193-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Oishi, T, Hatazawa, S, Kujirai, T, Kato, J, Kobayashi, Y, Ogasawara, M, Akatsu, M, Takizawa, Y, Kurumizaka, H.
Deposit date:2023-06-02
Release date:2023-10-04
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite: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
Descriptor: (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, ...
Authors: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.
Deposit date:2019-12-11
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite: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)
Descriptor: Bacterial proteasome activator
Authors:Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E.
Deposit date:2016-07-04
Release date:2016-11-23
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (3.303 Å)
Cite: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
Descriptor: (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, ...
Authors: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.
Deposit date:2019-12-12
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.04 Å)
Cite: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
Descriptor: (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
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Zbieg, J.R, Wang, X, Ortwine, D.F.
Deposit date:2021-05-10
Release date:2021-06-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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
Descriptor: GLYCEROL, PHOSPHATE ION, beta-D-glucopyranuronic acid, ...
Authors:Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Kaneko, S.
Deposit date:2012-01-18
Release date:2012-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Centrosomal protein of 104 kDa, ZINC ION
Authors:van Breugel, M, Yu, M, al Jassar, C.
Deposit date:2016-08-13
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*GP*TP*CP*AP*CP*TP*AP*CP*(5CM)P*GP*GP*AP*CP*A)-3'), ...
Authors:Otani, J, Arita, K, Kato, T, Kinoshita, M, Ariyoshi, M, Shirakawa, M.
Deposit date:2012-09-21
Release date:2013-01-16
Last modified:2013-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: GLUTAMINE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ...
Authors:Gavira, J.A, Rico-Jimenez, M, Conejero-Muriel, M, Krell, T.
Deposit date:2016-09-07
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.459 Å)
Cite: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
Descriptor: Cysteine protease, GLYCEROL
Authors:Briozzo, P, Kopecny, D, Savko, M.
Deposit date:2015-10-23
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: ARGININE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ...
Authors:Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
Deposit date:2016-09-06
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
Deposit date:2016-07-06
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Histone H3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
Authors: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)
Deposit date:2007-09-30
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.59 Å)
Cite: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
Descriptor: 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine, MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Musil, D, Heinrich, T, Knoechel, T, Lehmann, M.
Deposit date:2016-09-28
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
Descriptor: Bacterial proteasome activator, Proteasome subunit alpha, Proteasome subunit beta
Authors:Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E.
Deposit date:2016-09-30
Release date:2016-11-23
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: COG0147: Anthranilate/para-aminobenzoate synthases component I, GLYCEROL, IMIDAZOLE, ...
Authors:Harrison, A.J, Lott, J.S, Yu, M, Ramsay, R, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
Deposit date:2006-02-22
Release date:2006-09-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors: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.
Deposit date:2016-10-03
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Serine/threonine-protein kinase PknI
Authors:Wagner, T, Lisa, M.N, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M.
Deposit date:2016-10-03
Release date:2017-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: SODIUM ION, Serine/threonine-protein kinase PknI
Authors:Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M.
Deposit date:2016-10-03
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: GLYCEROL, PHOSPHATE ION, beta-GLUCURONIDASE
Authors:Momma, M, Fujimoto, Z, Michikawa, M, Ichinose, H, Yoshida, M, Kotake, Y, Biely, P, Tsumuraya, Y, Kaneko, S.
Deposit date:2012-01-18
Release date:2012-02-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and biochemical characterization of glycoside hydrolase family 79 beta-glucuronidase from Acidobacterium capsulatum
J.Biol.Chem., 287, 2012
5M08
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BU of 5m08 by Molmil
Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136A double mutant
Descriptor: Serine/threonine-protein kinase PknI
Authors:Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M.
Deposit date:2016-10-03
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.03 Å)
Cite: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
Descriptor: CHOLINE ION, pH 6 antigen,pH 6 antigen
Authors:Pakharukova, N.A, Roy, S, Rahman, M.M, Tuitilla, M, Zavialov, A.V.
Deposit date:2016-08-03
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.36 Å)
Cite: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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BU of 5m09 by Molmil
Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A_R136N double mutant
Descriptor: SODIUM ION, Serine/threonine-protein kinase PknI
Authors:Lisa, M.N, Wagner, T, Alexandre, M, Barilone, N, Raynal, B, Alzari, P.M, Bellinzoni, M.
Deposit date:2016-10-03
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
FEBS J., 284, 2017

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