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6PGN
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BU of 6pgn by Molmil
PagF single mutant with GPP
Descriptor: GERANYL DIPHOSPHATE, MAGNESIUM ION, PagF
Authors:Nair, S.K, Hao, Y, Estrada, P.
Deposit date:2019-06-24
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Single Amino Acid Switch Alters the Isoprene Donor Specificity in Ribosomally Synthesized and Post-Translationally Modified Peptide Prenyltransferases
J. Am. Chem. Soc., 140, 2018
8HHV
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BU of 8hhv by Molmil
endo-alpha-D-arabinanase EndoMA1 from Microbacterium arabinogalactanolyticum
Descriptor: CALCIUM ION, GLYCEROL, SODIUM ION, ...
Authors:Nakashima, C, Li, J, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2022-11-17
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
6KE0
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BU of 6ke0 by Molmil
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
Descriptor: 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone, MAGNESIUM ION, ZINC ION, ...
Authors:Amano, Y, Honbou, K.
Deposit date:2019-07-03
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
6KDX
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BU of 6kdx by Molmil
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
Descriptor: MAGNESIUM ION, N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine, ZINC ION, ...
Authors:Amano, Y, Honbou, K.
Deposit date:2019-07-03
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
7OTC
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BU of 7otc by Molmil
Cryo-EM structure of an Escherichia coli 70S ribosome in complex with elongation factor G and the antibiotic Argyrin B
Descriptor: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ...
Authors:Wieland, M, Koller, T.O, Wilson, D.N.
Deposit date:2021-06-10
Release date:2022-05-11
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8IC1
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BU of 8ic1 by Molmil
endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides
Descriptor: (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Li, J, Nakashima, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-10
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8IC7
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BU of 8ic7 by Molmil
exo-beta-D-arabinofuranosidase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with beta-D-arabinofuranose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-11
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8IC6
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BU of 8ic6 by Molmil
exo-beta-D-arabinanase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with Tris
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-10
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8IC8
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BU of 8ic8 by Molmil
Exo-alpha-D-arabinofuranosidase from Microbacterium arabinogalactanolyticum
Descriptor: Exo-alpha-D-arabinofuranosidase, PHOSPHATE ION
Authors:Kashima, T, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2023-02-11
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
6KDZ
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BU of 6kdz by Molmil
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
Descriptor: 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol, MAGNESIUM ION, ZINC ION, ...
Authors:Amano, Y, Honbou, K.
Deposit date:2019-07-03
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
7EIC
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BU of 7eic by Molmil
Crystal structure of AF9 YEATS domain in complex with H4K5acK8ac peptide
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histone H4, ...
Authors:Kikuchi, M, Umehara, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles.
J.Biol.Chem., 298, 2022
7EID
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BU of 7eid by Molmil
Crystal structure of AF9 YEATS domain in complex with H4K8acK12ac peptide
Descriptor: GLYCEROL, Histone H4, Protein AF-9
Authors:Kikuchi, M, Umehara, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles.
J.Biol.Chem., 298, 2022
7EIE
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BU of 7eie by Molmil
Crystal structure of YEATS2 YEATS domain
Descriptor: GLYCEROL, YEATS domain-containing protein 2
Authors:Kikuchi, M, Umehara, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles.
J.Biol.Chem., 298, 2022
7UG7
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BU of 7ug7 by Molmil
70S ribosome complex in an intermediate state of translocation bound to EF-G(GDP) stalled by Argyrin B
Descriptor: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
Authors:Rundlet, E.J, Wieland, M, Holm, M, Koller, T.O, Blanchard, S.C, Wilson, D.N.
Deposit date:2022-03-24
Release date:2022-05-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8Z8M
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BU of 8z8m by Molmil
Crystal structure of human TNF alpha in complex with TNF30(VHH) domain of ozoralizumab
Descriptor: TNF30:VHH, Tumor necrosis factor
Authors:Mima, M, Mishima-Tsumagari, C.
Deposit date:2024-04-22
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural design of the anti-TNF alpha therapeutic NANOBODY® compound, ozoralizumab, to support its potent and sustained clinical efficacy.
Biochem.Biophys.Res.Commun., 734, 2024
8Z8V
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BU of 8z8v by Molmil
Crystal structure of human serum albumin in complex with ALB8(VHH) domain of ozoralizumab
Descriptor: ALB8:VHH, Serum albumin
Authors:Mima, M, Mishima-Tsumagari, C.
Deposit date:2024-04-22
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural design of the anti-TNF alpha therapeutic NANOBODY® compound, ozoralizumab, to support its potent and sustained clinical efficacy.
Biochem.Biophys.Res.Commun., 734, 2024
9FBV
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BU of 9fbv by Molmil
70S Escherichia coli ribosome with P-site initiatior tRNA.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S16, ...
Authors:Koller, T.O, Wilson, D.N.
Deposit date:2024-05-14
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Paenilamicins from the honey bee pathogen Paenibacillus larvae are context-specific translocation inhibitors of protein synthesis.
Biorxiv, 2024
133L
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BU of 133l by Molmil
ROLE OF ARG 115 IN THE CATALYTIC ACTION OF HUMAN LYSOZYME. X-RAY STRUCTURE OF HIS 115 AND GLU 115 MUTANTS
Descriptor: HUMAN LYSOZYME
Authors:Harata, K, Muraki, M, Jigami, Y.
Deposit date:1993-06-01
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Role of Arg115 in the catalytic action of human lysozyme. X-ray structure of His115 and Glu115 mutants.
J.Mol.Biol., 233, 1993
134L
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BU of 134l by Molmil
ROLE OF ARG 115 IN THE CATALYTIC ACTION OF HUMAN LYSOZYME. X-RAY STRUCTURE OF HIS 115 AND GLU 115 MUTANTS
Descriptor: HUMAN LYSOZYME
Authors:Harata, K, Muraki, M, Jigami, Y.
Deposit date:1993-06-01
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Role of Arg115 in the catalytic action of human lysozyme. X-ray structure of His115 and Glu115 mutants.
J.Mol.Biol., 233, 1993
7VPC
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BU of 7vpc by Molmil
Neryl diphosphate synthase from Solanum lycopersicum
Descriptor: 1,2-ETHANEDIOL, D-MALATE, Neryl-diphosphate synthase 1
Authors:Imaizumi, R, Misawa, S, Takeshita, K, Sakai, N, Yamamoto, M, Kataoka, K, Nakayama, T, Takahashi, S, Yamashita, S.
Deposit date:2021-10-15
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure-based engineering of a short-chain cis-prenyltransferase to biosynthesize nonnatural all-cis-polyisoprenoids: molecular mechanisms for primer substrate recognition and ultimate product chain-length determination.
Febs J., 289, 2022
5V8Q
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BU of 5v8q by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III
Descriptor: 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL
Authors:Wilson, K.P.
Deposit date:2017-03-22
Release date:2017-05-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate.
Bioorg. Med. Chem., 25, 2017
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:QCRG Structural Biology Consortium
Deposit date:2020-10-09
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
3GI3
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BU of 3gi3 by Molmil
Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase
Descriptor: Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
Authors:Qian, K.C.
Deposit date:2009-03-05
Release date:2009-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
8I60
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BU of 8i60 by Molmil
Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr
Descriptor: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ...
Authors:Konuma, T, Zhou, M.-M.
Deposit date:2023-01-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin.
Mol.Cell, 83, 2023
7EKD
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BU of 7ekd by Molmil
Crystal structure of gibberellin 3-oxidase 2 (GA3ox2) in rice
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOGLUTARIC ACID, Gibberellin 3-beta-dioxygenase 2, ...
Authors:Takehara, S, Kawai, K, Mikami, B, Ueguchi-Tanaka, M.
Deposit date:2021-04-05
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Evolutionary alterations in gene expression and enzymatic activities of gibberellin 3-oxidase 1 in Oryza.
Commun Biol, 5, 2022

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