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PDB: 304 件
6Q4Q
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BU of 6q4q by Molmil
The Crystal structure of CK2a bound to P2-C4
分子名称: 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ...
著者Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M.
登録日2018-12-06
公開日2019-04-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
5F92
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BU of 5f92 by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate
分子名称: CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ...
著者Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J.
登録日2015-12-09
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
6RK1
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BU of 6rk1 by Molmil
Crystal structure of TSP1 domain from CCN3
分子名称: CCN family member 3, CHLORIDE ION, GLYCEROL, ...
著者Xu, E.-R, Hyvonen, M.
登録日2019-04-29
公開日2019-10-02
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献The thrombospondin module 1 domain of the matricellular protein CCN3 shows an atypical disulfide pattern and incomplete CWR layers.
Acta Crystallogr D Struct Biol, 76, 2020
5AEJ
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BU of 5aej by Molmil
Crystal structure of human Gremlin-1
分子名称: GREMLIN-1, SULFATE ION
著者Kisonaite, M, Hyvonen, M.
登録日2015-08-31
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Structure of Gremlin-1 and Analysis of its Interaction with Bmp-2.
Biochem.J., 473, 2016
8AAA
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BU of 8aaa by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
分子名称: 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Spike protein S1, Stapled peptide
著者Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
登録日2022-06-30
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
7QE2
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BU of 7qe2 by Molmil
Crystal structure of D-glucuronic acid bound to SN243
分子名称: ACETATE ION, SN243, SULFATE ION, ...
著者Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
登録日2021-12-01
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
7QEE
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BU of 7qee by Molmil
SN243 mutant D415N bound to para-nitrophenyl-Beta-D-glucuronide
分子名称: 4-nitrophenyl beta-D-glucopyranosiduronic acid, SN243, SULFATE ION, ...
著者Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
登録日2021-12-02
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.374 Å)
主引用文献Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
7QUX
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BU of 7qux by Molmil
Crystal structure of P7C8 bound to CK2alpha
分子名称: ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ...
著者Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D.
登録日2022-01-19
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
4YPV
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BU of 4ypv by Molmil
High-resolution structure of a metagenome-derived esterase Est8
分子名称: Est8
著者Pereira, M.R, Maester, C.T, Macedo Lemos, E, Hyvonen, M, Balan, A.
登録日2015-03-13
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献From a metagenomic source to a high-resolution structure of a novel alkaline esterase.
Appl. Microbiol. Biotechnol., 2017
4ZI5
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BU of 4zi5 by Molmil
Crystal Structure of Dienelactone Hydrolase-like Promiscuous Phospotriesterase P91 from Metagenomic Libraries
分子名称: CHLORIDE ION, MAGNESIUM ION, P91
著者Colin, P.-Y, Fischer, G, Hyvonen, M, Hollfelder, F.
登録日2015-04-27
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Ultrahigh-throughput discovery of promiscuous enzymes by picodroplet functional metagenomics.
Nat Commun, 6, 2015
7QEA
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BU of 7qea by Molmil
Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A)
分子名称: (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ...
著者Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
登録日2021-12-01
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
7QG4
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BU of 7qg4 by Molmil
Apo crystal structure of a mutant of SN243 (D415N)
分子名称: SN243, SULFATE ION, ZINC ION
著者Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
登録日2021-12-07
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
7QEF
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BU of 7qef by Molmil
Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A)
分子名称: 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ...
著者Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
登録日2021-12-02
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
7QE1
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BU of 7qe1 by Molmil
Crystal structure of apo SN243
分子名称: SN243, ZINC ION
著者Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
登録日2021-12-01
公開日2022-10-12
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
5AFG
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BU of 5afg by Molmil
Structure of the Stapled Peptide Bound to Mdm2
分子名称: 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE, E3 UBIQUITIN-PROTEIN LIGASE MDM2, STAPLED PEPTIDE
著者Lau, Y.H, Wu, Y, Rossmann, M, de Andrade, P, Tan, Y.S, McKenzie, G.J, Venkitaraman, A.R, Hyvonen, M, Spring, D.R.
登録日2015-01-22
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Double Strain-Promoted Macrocyclization for the Rapid Selection of Cell-Active Stapled Peptides.
Angew.Chem.Int.Ed.Engl., 54, 2015
6GMD
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BU of 6gmd by Molmil
The crystal structure of CK2alpha in complex with compound 3
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2018-05-25
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface.
Bioorg. Med. Chem., 26, 2018
1LR9
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BU of 1lr9 by Molmil
STRUCTURE OF Fs1, THE HEPARIN-BINDING DOMAIN OF FOLLISTATIN
分子名称: Follistatin
著者Innis, C.A, Hyvonen, M.
登録日2002-05-15
公開日2003-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of the Heparan Sulfate-binding Domain of Follistatin: Insights into ligand binding.
J.Biol.Chem., 278, 2003
1LR8
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BU of 1lr8 by Molmil
Crystal structure of Fs1, the heparin-binding domain of follistatin, complexed with the heparin analogue D-myo-inositol hexasulphate (Ins6S)
分子名称: D-MYO-INOSITOL-HEXASULPHATE, Follistatin
著者Innis, C.A, Hyvonen, M.
登録日2002-05-15
公開日2003-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of the Heparan Sulfate-binding Domain of Follistatin: Insights into ligand binding.
J.Biol.Chem., 278, 2003
6Q62
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BU of 6q62 by Molmil
Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)
分子名称: 1,2-ETHANEDIOL, 1H-indole-2-carboxylic acid, 6-chloroguanine, ...
著者Oliveira, A.A, Hyvonen, M, Guido, R.V.C.
登録日2018-12-10
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Xanthomonas albilineans Dihydropteroate synthase in complex with (indole-2-carboxylic acid) and (6-chloroguanine)
To Be Published
8BR9
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BU of 8br9 by Molmil
Stapled peptide SP24 in complex with humanised RadA mutant HumRadA22
分子名称: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ...
著者Pantelejevs, T, Hyvonen, M.
登録日2022-11-22
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
6TUU
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BU of 6tuu by Molmil
Leishmania infantum Rad51 surrogate LiRadA10 in complex with 5,6,7,8-tetrahydro-2-naphthoic acid
分子名称: 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid, CHLORIDE ION, DNA repair and recombination protein RadA, ...
著者Pantelejevs, T, Hyvonen, M.
登録日2020-01-08
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Development of dedicated crystallographic systems for structure-guided drug discovery
To Be Published
6H22
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BU of 6h22 by Molmil
Crystal structure of Mdm2 bound to a stapled peptide
分子名称: 12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium, E3 ubiquitin-protein ligase Mdm2, Stapled peptide
著者Wang, X, Sharma, K, Spring, D.R, Hyvonen, M.
登録日2018-07-12
公開日2019-07-31
最終更新日2019-09-11
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry.
Org.Biomol.Chem., 17, 2019
5FOX
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BU of 5fox by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH FHAA TETRAPEPTIDE
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHAA PEPTIDE, GLYCEROL, ...
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
5FOW
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BU of 5fow by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH WHTA TETRAPEPTIDE
分子名称: DNA repair and recombination protein RadA, PHOSPHATE ION, WHTA PEPTIDE
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
5FOV
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HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTG TETRAPEPTIDE
分子名称: DNA repair and recombination protein RadA, FHTG PEPTIDE, GLYCEROL, ...
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016

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