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6RA5
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Human tnik in complex with compound 9
分子名称: 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase
著者Read, J.A.
登録日2019-04-05
公開日2020-05-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
8BOX
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BU of 8box by Molmil
LSD1-CoREST in complex with AW4 and SNAG peptide
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
著者Caroli, J, Mattevi, A.
登録日2022-11-15
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8BOP
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BU of 8bop by Molmil
LSD1-CoREST in complex with AW4, long soaking
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
著者Caroli, J, Mattevi, A.
登録日2022-11-15
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
5GHW
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BU of 5ghw by Molmil
Crystal structure of broad neutralizing antibody 10E8 with long epitope bound
分子名称: Endogenous retrovirus group K member 8 Env polyprotein, FAB 10E8 HEAVY CHAIN, FAB 10E8 LIGHT CHAIN, ...
著者Caaveiro, J.M.M, Rujas, E, Morante, K, Nieva, J.L, Tsumoto, K.
登録日2016-06-21
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for broad neutralization of HIV-1 through the molecular recognition of 10E8 helical epitope at the membrane interface
Sci Rep, 6, 2016
5WGV
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BU of 5wgv by Molmil
Crystal Structure of MalA' C112S/C128S, premalbrancheamide complex
分子名称: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
6C48
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BU of 6c48 by Molmil
Crystal structure of B-Myb-LIN9-LIN52 complex
分子名称: Myb-related protein B, Protein lin-52 homolog, Protein lin-9 homolog, ...
著者Guiley, K.Z, Tripathi, S.M, Rubin, S.M.
登録日2018-01-11
公開日2018-09-19
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural mechanism of Myb-MuvB assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8BTM
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BU of 8btm by Molmil
Structural and functional studies of geldanamycin amide synthase ShGdmF
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GdmF
著者Ewert, W, Zeilinger, C, Kirschning, A, Preller, M.
登録日2022-11-29
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
6RCE
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BU of 6rce by Molmil
Pmar-Lig_PreS3
分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*TP*TP*CP*CP*GP*AP*CP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ...
著者Leiros, H.K.S, Williamson, A.
登録日2019-04-11
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.946 Å)
主引用文献Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
6H6N
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BU of 6h6n by Molmil
UbiJ-SCP2 Ubiquinone synthesis protein
分子名称: CALCIUM ION, TERBIUM(III) ION, Ubiquinone biosynthesis protein UbiJ
著者Fyfe, C.D, Legrand, P, Pecqueur, L, Ciccone, L, Lombard, M, Fontecave, M.
登録日2018-07-28
公開日2019-02-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A Soluble Metabolon Synthesizes the Isoprenoid Lipid Ubiquinone.
Cell Chem Biol, 26, 2019
8SX0
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BU of 8sx0 by Molmil
Bordetella filamentous hemagglutinin (FhaB) C-terminal domain
分子名称: CALCIUM ION, Filamentous hemagglutinin, GLYCEROL, ...
著者Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Costello, M.S.
登録日2023-05-19
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Bordetella filamentous hemagglutinin (FhaB) C-terminal domain
To Be Published
5HWO
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BU of 5hwo by Molmil
MvaS in complex with 3-hydroxy-3-methylglutaryl coenzyme A
分子名称: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ...
著者Bock, T, Kasten, J, Blankenfeldt, W.
登録日2016-01-29
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus.
Chembiochem, 17, 2016
6R5R
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BU of 6r5r by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with cellobiose
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
8BWI
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BU of 8bwi by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 2
分子名称: Twisted gastrulation protein homolog 1
著者Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
登録日2022-12-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
8BWA
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BU of 8bwa by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with platinum
分子名称: PLATINUM (II) ION, Twisted gastrulation protein homolog 1
著者Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
登録日2022-12-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
8BWL
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BU of 8bwl by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium
分子名称: CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1
著者Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
登録日2022-12-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
6IFI
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BU of 6ifi by Molmil
Crystal Structure of the Apo form of CMP-N-acetylneuraminate Synthetase from Vibrio cholerae
分子名称: CALCIUM ION, CMP-N-acetylneuraminate Synthetase
著者Bose, S, Subramanian, R.
登録日2018-09-20
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional characterization of CMP-N-acetylneuraminate synthetase from Vibrio cholerae.
Acta Crystallogr D Struct Biol, 75, 2019
6H7E
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BU of 6h7e by Molmil
GEF regulatory domain
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cDNA FLJ56134, ...
著者Ferrandez, Y, Cherfils, J, Peurois, F.
登録日2018-07-31
公開日2020-02-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Membranes prime the RapGEF EPAC1 to transduce cAMP signaling.
Nat Commun, 14, 2023
8BWM
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BU of 8bwm by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4042 eV)
分子名称: CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1
著者Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
登録日2022-12-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
6H7L
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BU of 6h7l by Molmil
ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST DOBUTAMINE AND NANOBODY Nb6B9
分子名称: Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, DOBUTAMINE, ...
著者Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G.
登録日2018-07-31
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis for high-affinity agonist binding in GPCRs.
Science, 364, 2019
8BWN
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BU of 8bwn by Molmil
Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV)
分子名称: CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1
著者Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C.
登録日2022-12-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
5WD7
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Structure of a bacterial polysialyltransferase in complex with fondaparinux
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, SULFATE ION, SiaD
著者Worrall, L.J, Lizak, C, Strynadka, N.C.J.
登録日2017-07-04
公開日2017-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献X-ray crystallographic structure of a bacterial polysialyltransferase provides insight into the biosynthesis of capsular polysialic acid.
Sci Rep, 7, 2017
5HPR
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BU of 5hpr by Molmil
Insulin with proline analog HyP at position B28 in the T2 state
分子名称: GLYCEROL, Insulin A-Chain, Insulin B-Chain, ...
著者Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
登録日2016-01-21
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
5HXZ
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Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, CHLORIDE ION, ...
著者Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
登録日2016-01-31
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
6R6Q
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HIV capsid hexamer with IP5 ligand
分子名称: Gag polyprotein
著者James, L.C.
登録日2019-03-27
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献HIV hexamer
to be published
5WI9
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Crystal structure of KL with an agonist Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ...
著者Johnstone, S, Min, X, Wang, Z.
登録日2017-07-18
公開日2018-07-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions.
J. Biol. Chem., 293, 2018

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件を2024-08-28に公開中

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