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9BUB
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BU of 9bub by Molmil
Human calcitonin Receptor in complex with Gs and cagrilintide in the bypass conformation
分子名称: (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, Cagrilintide, Calcitonin receptor, ...
著者Cao, J, Belousoff, M.J, Johnson, R.M, Sexton, P.M, Wootten, D.L.
登録日2024-05-16
公開日2025-04-23
最終更新日2025-10-29
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structural and dynamic features of cagrilintide binding to calcitonin and amylin receptors.
Nat Commun, 16, 2025
5FPU
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BU of 5fpu by Molmil
Crystal structure of human JARID1B in complex with GSKJ1
分子名称: 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Srikannathasan, V, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2015-12-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
6C93
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BU of 6c93 by Molmil
Effects of the E310A Mutation of Cytochrome P450 4B1 (CYP4B1) on n-Octane binding and Heme Ruffling
分子名称: Cytochrome P450 4B1, N-OCTANE, PROTOPORPHYRIN IX CONTAINING FE
著者Hsu, M.-H, Johnson, E.F.
登録日2018-01-25
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.674 Å)
主引用文献Noncovalent interactions dominate dynamic heme distortion in cytochrome P450 4B1.
J. Biol. Chem., 293, 2018
5A6Q
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BU of 5a6q by Molmil
Native structure of the LecB lectin from Pseudomonas aeruginosa strain PA14
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, ...
著者Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A.
登録日2015-06-30
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
5LS3
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BU of 5ls3 by Molmil
Crystal structure of metallo-beta-lactamase SPM-1 with Y58C mutation
分子名称: Beta-lactamase IMP-1, ZINC ION
著者Hinchliffe, P, Spencer, J.
登録日2016-08-22
公開日2017-03-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献(19) F-NMR Reveals the Role of Mobile Loops in Product and Inhibitor Binding by the Sao Paulo Metallo-beta-Lactamase.
Angew. Chem. Int. Ed. Engl., 56, 2017
4TVX
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BU of 4tvx by Molmil
Crystal structure of the E. coli CRISPR RNA-guided surveillance complex, Cascade
分子名称: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
著者Jackson, R.N, Golden, S.M, Carter, J, Wiedenheft, B.
登録日2014-06-28
公開日2014-08-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Structural biology. Crystal structure of the CRISPR RNA-guided surveillance complex from Escherichia coli.
Science, 345, 2014
6RNH
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BU of 6rnh by Molmil
Structure of C-terminal truncated Plasmodium falciparum IMP-nucleotidase
分子名称: GLYCEROL, IMP-specific 5'-nucleotidase, putative
著者Carrique, L, Ballut, L, Violot, S, Aghajari, N.
登録日2019-05-08
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase.
Nat Commun, 11, 2020
7VYO
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BU of 7vyo by Molmil
The structure of GdmN
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
登録日2021-11-14
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
6U3U
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BU of 6u3u by Molmil
Crystal Structure of Shiga Toxin 2K
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Shiga toxin 2K subunit A, ...
著者Zhang, Y.Z, He, X.H.
登録日2019-08-22
公開日2020-07-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.287 Å)
主引用文献Structural and Functional Characterization of Stx2k, a New Subtype of Shiga Toxin 2.
Microorganisms, 8, 2019
4TYD
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BU of 4tyd by Molmil
Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease
分子名称: (4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide, CHLORIDE ION, NS3 protease, ...
著者Parsy, C.
登録日2014-07-08
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease.
Bioorg.Med.Chem.Lett., 24, 2014
6BTM
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BU of 6btm by Molmil
Structure of Alternative Complex III from Flavobacterium johnsoniae (Wild Type)
分子名称: (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate, Alternative Complex III subunit A, Alternative Complex III subunit B, ...
著者Sun, C, Benlekbir, S, Venkatakrishnan, P, Yuhang, W, Tajkhorshid, E, Rubinstein, J.L, Gennis, R.B.
登録日2017-12-07
公開日2018-05-09
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the alternative complex III in a supercomplex with cytochrome oxidase.
Nature, 557, 2018
3HBG
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BU of 3hbg by Molmil
Structure of recombinant Chicken Liver Sulfite Oxidase mutant C185S
分子名称: HYDROXY(DIOXO)MOLYBDENUM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, Sulfite Oxidase mutant C185S
著者Qiu, J.A.
登録日2009-05-04
公開日2010-04-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structures of the C185S and C185A mutants of sulfite oxidase reveal rearrangement of the active site.
Biochemistry, 49, 2010
2VZP
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BU of 2vzp by Molmil
Atomic Resolution Structure of the C-terminal CBM35 from Amycolatopsis orientalis exo-chitosanase CsxA
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, EXO-BETA-D-GLUCOSAMINIDASE
著者Lammerts van Bueren, A, Boraston, A.B.
登録日2008-08-05
公開日2009-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
9FD4
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BU of 9fd4 by Molmil
flavin reductase ThdF in complex with two bound FADs in space group P212121
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Flavin reductase, ...
著者Bork, S, Nagel, M.F, Keller, W, Niemann, H.H.
登録日2024-05-16
公開日2024-12-25
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献The NADH-dependent flavin reductase ThdF follows an ordered sequential mechanism though crystal structures reveal two FAD molecules in the active site.
J.Biol.Chem., 301, 2024
9H91
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BU of 9h91 by Molmil
Cryo-EM structure of the Vibrio natrigens 50S ribosomal subunit in complex with the proline-rich antimicrobial peptide Bac5(1-17).
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Raulf, K.F, Koller, T.O, Beckert, B, Morici, M, Lepak, A, Bange, G, Wilson, D.N.
登録日2024-10-29
公開日2025-05-21
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The structure of the Vibrio natriegens 70S ribosome in complex with the proline-rich antimicrobial peptide Bac5(1-17).
Nucleic Acids Res., 53, 2025
5E8X
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BU of 5e8x by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) IN COMPLEX WITH STAUROSPORINE
分子名称: GLYCEROL, STAUROSPORINE, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
7VCF
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BU of 7vcf by Molmil
Cryo-EM structure of Chlamydomonas TOC-TIC supercomplex
分子名称: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
著者Wu, J, Yan, Z, Jin, Z, Zhang, Y.
登録日2021-09-02
公開日2022-11-30
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structure of a TOC-TIC supercomplex spanning two chloroplast envelope membranes.
Cell, 185, 2022
9H6V
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BU of 9h6v by Molmil
Lotus japonicus CERK6 extracellular domain in complex with two nanobodies
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Gysel, K, Alsarraf, H.M.A.B, Hansen, S.B, Andersen, K.R.
登録日2024-10-25
公開日2025-07-16
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis for size-selective perception of chitin in plants
To Be Published
8SQ0
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BU of 8sq0 by Molmil
Cleaved Ycf1p Dimer in the IFwide-beta conformation
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, Metal resistance protein YCF1, ...
著者Bickers, S.C, Benlekbir, S, Rubinstein, J.L, Kanelis, V.
登録日2023-05-04
公開日2024-05-08
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of a dimeric full-length ABC transporter.
Nat Commun, 15, 2024
8SV1
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BU of 8sv1 by Molmil
Caspase-1 complex with interleukin-18
分子名称: Caspase-1, Interleukin-18
著者Dong, Y, Pascal, D, Jon, K, Wu, H.
登録日2023-05-15
公開日2024-05-08
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural transitions enable interleukin-18 maturation and signaling.
Immunity, 57, 2024
3H7I
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BU of 3h7i by Molmil
Structure of the metal-free D132N T4 RNase H
分子名称: Ribonuclease H, SULFATE ION
著者Tomanicek, S.J, Mueser, T.C.
登録日2009-04-27
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Additional Order Appears in the Absence of Metals in a FEN-1 protein: Structural Analysis of Magnesium Binding to Bacteriophage T4 RNaseH
To be Published
1NC7
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BU of 1nc7 by Molmil
Crystal Structure of Thermotoga maritima 1070
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
著者Kim, Y, Joachimiak, A, Edwards, A, Skarina, T, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-12-04
公開日2003-07-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure Analysis of Thermotoga maritima Hypothetical protein TM1070
To be Published
7US1
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BU of 7us1 by Molmil
Structure of parkin (R0RB) bound to two phospho-ubiquitin molecules
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin, ...
著者Fakih, R, Sauve, V, Gehring, K.
登録日2022-04-22
公開日2022-06-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.484 Å)
主引用文献Structure of the second phosphoubiquitin-binding site in parkin.
J.Biol.Chem., 298, 2022
6FMJ
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BU of 6fmj by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-Acetamidopropanethioyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl) benzyl)pyrrolidine-2-carboxamide (ligand 3)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Soares, P, Lucas, X, Ciulli, A.
登録日2018-01-31
公開日2018-04-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
9HGC
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BU of 9hgc by Molmil
Crystal structure of human GABARAPL1 in complex with cyclic peptide GAB_D8
分子名称: GAB_D8, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1, ...
著者Wilms, J.A, Willbold, D, Weiergraeber, O.H.
登録日2024-11-19
公開日2025-07-09
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Accurate de novo design of high-affinity protein-binding macrocycles using deep learning.
Nat.Chem.Biol., 2025

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件を2025-11-12に公開中

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