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5GQF
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BU of 5gqf by Molmil
Crystal structure of lacto-N-biosidase LnbX from Bifidobacterium longum subsp. longum, lacto-N-biose complex
分子名称: CALCIUM ION, Lacto-N-biosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yamada, C, Arakawa, T, Katayama, T, Fushinobu, S.
登録日2016-08-07
公開日2017-04-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Molecular Insight into Evolution of Symbiosis between Breast-Fed Infants and a Member of the Human Gut Microbiome Bifidobacterium longum
Cell Chem Biol, 24, 2017
5T8J
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BU of 5t8j by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5GQC
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BU of 5gqc by Molmil
Crystal structure of lacto-N-biosidase LnbX from Bifidobacterium longum subsp. longum, ligand-free form
分子名称: CALCIUM ION, Lacto-N-biosidase, SODIUM ION
著者Yamada, C, Arakawa, T, Katayama, T, Fushinobu, S.
登録日2016-08-07
公開日2017-04-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Molecular Insight into Evolution of Symbiosis between Breast-Fed Infants and a Member of the Human Gut Microbiome Bifidobacterium longum
Cell Chem Biol, 24, 2017
5T8E
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BU of 5t8e by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
分子名称: 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2016-09-07
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5V8Q
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BU of 5v8q by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III
分子名称: 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL
著者Wilson, K.P.
登録日2017-03-22
公開日2017-05-24
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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
6MTT
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BU of 6mtt by Molmil
Crystal structure of VRC46.01 Fab in complex with gp41 peptide
分子名称: Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
2KSE
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BU of 2kse by Molmil
Backbone structure of the membrane domain of E. coli histidine kinase receptor QseC, Center for Structures of Membrane Proteins (CSMP) target 4311C
分子名称: Sensor protein qseC
著者Maslennikov, I, Klammt, C, Kefala, G, Esquivies, L, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP)
登録日2010-01-02
公開日2010-03-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Membrane domain structures of three classes of histidine kinase receptors by cell-free expression and rapid NMR analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
6MTQ
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BU of 6mtq by Molmil
Crystal structure of VRC42.N1 Fab in complex with T117-F MPER scaffold
分子名称: Antibody VRC42.N1 Fab heavy chain, Antibody VRC42.N1 Fab light chain, VRC42 epitope T117-F scaffold
著者Kwon, Y.D, Law, W.H, Veradi, R, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
2KSD
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BU of 2ksd by Molmil
Backbone structure of the membrane domain of E. coli histidine kinase receptor ArcB, Center for Structures of Membrane Proteins (CSMP) target 4310C
分子名称: Aerobic respiration control sensor protein arcB
著者Maslennikov, I, Klammt, C, Hwang, E, Kefala, G, Kwiatkowski, W, Jeon, Y, Choe, S, Center for Structures of Membrane Proteins (CSMP)
登録日2010-01-02
公開日2010-03-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Membrane domain structures of three classes of histidine kinase receptors by cell-free expression and rapid NMR analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
5XDN
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BU of 5xdn by Molmil
Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in P22121 space group
分子名称: DECANE, DODECANE, HEXANE, ...
著者Hosaka, T, Kimura-Someya, T, Shirouzu, M.
登録日2017-03-28
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Crystal structural characterization reveals novel oligomeric interactions of human voltage-dependent anion channel 1
Protein Sci., 26, 2017
7R08
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BU of 7r08 by Molmil
Abortive infection DNA polymerase Abi-P2
分子名称: Reverse transcriptase
著者Gapinska, M.A, Figiel, M, Czarnocki Cieciura, M, Nowotny, M, Zajko, W.
登録日2022-02-01
公開日2022-09-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mechanism of protein-primed template-independent DNA synthesis by Abi polymerases.
Nucleic Acids Res., 50, 2022
7R06
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BU of 7r06 by Molmil
Abortive infection DNA polymerase AbiK from Lactococcus lactis
分子名称: AbiK, DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3')
著者Figiel, M, Nowotny, M, Gapinska, M, Czarnocki-Cieciura, M, Zajko, W.
登録日2022-02-01
公開日2022-09-07
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Mechanism of protein-primed template-independent DNA synthesis by Abi polymerases.
Nucleic Acids Res., 50, 2022
7R07
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BU of 7r07 by Molmil
Abortive infection DNA polymerase AbiK from Lactococcus lactis
分子名称: AbiK, DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3'), MAGNESIUM ION
著者Figiel, M, Gapinska, M, Czarnocki-Cieciura, M, Zajko, W, Nowotny, M.
登録日2022-02-01
公開日2022-09-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mechanism of protein-primed template-independent DNA synthesis by Abi polymerases.
Nucleic Acids Res., 50, 2022
8JOF
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BU of 8jof by Molmil
solution-structure of Ras Binding Domain (RBD) in C-RAF
分子名称: RAF proto-oncogene serine/threonine-protein kinase
著者Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F.
登録日2023-06-07
公開日2024-06-12
実験手法SOLUTION NMR
主引用文献Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
8OVA
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BU of 8ova by Molmil
CRYO-EM STRUCTURE OF TRYPANOSOMA BRUCEI PROCYCLIC FORM 80S RIBOSOME : PARENTAL STRAIN
分子名称: 40S ribosomal protein L14, putative, 40S ribosomal protein S10, ...
著者Rajan, K.S, Yonath, A.
登録日2023-04-25
公開日2023-11-29
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献A single pseudouridine on rRNA regulates ribosome structure and function in the mammalian parasite Trypanosoma brucei.
Nat Commun, 14, 2023
8OVE
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BU of 8ove by Molmil
CRYO-EM STRUCTURE OF TRYPANOSOMA BRUCEI PROCYCLIC FORM 80S RIBOSOME : TB11CS6H1 snoRNA mutant
分子名称: 40S ribosomal protein L14, putative, 40S ribosomal protein S10, ...
著者Rajan, K.S, Yonath, A.
登録日2023-04-25
公開日2023-11-29
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献A single pseudouridine on rRNA regulates ribosome structure and function in the mammalian parasite Trypanosoma brucei.
Nat Commun, 14, 2023
7VMY
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BU of 7vmy by Molmil
Crystal structure of LimF prenyltransferase bound with GSPP
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, ...
著者Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
登録日2021-10-09
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates
Nat Catal, 2022
7VMW
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BU of 7vmw by Molmil
Crystal structure of LimF prenyltransferase bound with a peptide substrate and GSPP
分子名称: GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ...
著者Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
登録日2021-10-09
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates
Nat Catal, 2022
7LVI
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BU of 7lvi by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
分子名称: (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
著者Muckelbauer, J.K.
登録日2021-02-25
公開日2021-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
7LVH
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BU of 7lvh by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE
分子名称: 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ...
著者Muckelbauer, J.K.
登録日2021-02-25
公開日2021-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain.
J.Med.Chem., 64, 2021
8JNA
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BU of 8jna by Molmil
CRAF ras-binding domain chimera, apo form
分子名称: RAF proto-oncogene serine/threonine-protein kinase, CRaf
著者Kawamura, T, Kumasaka, T.
登録日2023-06-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
8JNB
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BU of 8jnb by Molmil
CRAF ras-binding domain chimera, ligand complex
分子名称: 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide, RAF proto-oncogene serine/threonine-protein kinase, CRaf
著者Kawamura, T, Kumasaka, T.
登録日2023-06-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
8JOG
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BU of 8jog by Molmil
solution structure of Ras Binding Domein (RBD) in C-RAF with negative allosteric modulator.
分子名称: RAF proto-oncogene serine/threonine-protein kinase
著者Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F.
登録日2023-06-07
公開日2024-06-12
実験手法SOLUTION NMR
主引用文献Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
8JG5
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BU of 8jg5 by Molmil
Cryo-EM structure of the GI.4 Chiba VLP complexed with the CV-1A1 Fv-clasp
分子名称: VH,SARAH, VL,SARAH, VP1
著者Hosaka, T, Katsura, K, Kimura-Someya, T, Someya, Y, Shirouzu, M.
登録日2023-05-19
公開日2024-04-17
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural analyses of the GI.4 norovirus by cryo-electron microscopy and X-ray crystallography revealing binding sites for human monoclonal antibodies.
J.Virol., 98, 2024
6HUS
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BU of 6hus by Molmil
2'-fucosyllactose and 3-fucosyllactose binding protein from Bifidobacterium longum infantis, bound with 3-fucosyllactose
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ABC transporter substrate-binding protein, ZINC ION, ...
著者Ejby, M, Abou Hachem, M, Lo Leggio, L, Takane, K, Sakanaka, M.
登録日2018-10-09
公開日2019-09-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.409 Å)
主引用文献Evolutionary adaptation in fucosyllactose uptake systems supports bifidobacteria-infant symbiosis.
Sci Adv, 5, 2019

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件を2024-08-07に公開中

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