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7P5K
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BU of 7p5k by Molmil
Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction
分子名称: 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Davies, T.G.
登録日2021-07-14
公開日2021-11-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7P5F
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BU of 7p5f by Molmil
Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction
分子名称: 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Davies, T.G.
登録日2021-07-14
公開日2021-11-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7P5N
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BU of 7p5n by Molmil
Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction
分子名称: 1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Davies, T.G.
登録日2021-07-14
公開日2021-11-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
6J23
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BU of 6j23 by Molmil
Crystal structure of arabidopsis ADAL complexed with GMP
分子名称: Adenosine/AMP deaminase family protein, GUANOSINE-5'-MONOPHOSPHATE, ZINC ION
著者Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J.
登録日2018-12-30
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Rna Biol., 16, 2019
6J4T
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BU of 6j4t by Molmil
Crystal structure of arabidopsis ADAL complexed with IMP
分子名称: Adenosine/AMP deaminase family protein, INOSINIC ACID, ZINC ION
著者Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J.
登録日2019-01-10
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Rna Biol., 16, 2019
6IV5
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BU of 6iv5 by Molmil
Crystal structure of arabidopsis N6-mAMP deaminase MAPDA
分子名称: Adenosine/AMP deaminase family protein, PHOSPHATE ION, ZINC ION
著者Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J.
登録日2018-12-02
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Rna Biol., 16, 2019
7AHU
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BU of 7ahu by Molmil
Anti-FX Fab of mim8 in complex with human FXa
分子名称: Anti-FX Fab of mim8 heavy chain, Anti-FX Fab of mim8 light chain, CALCIUM ION, ...
著者Johansson, E.
登録日2020-09-25
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
7AHV
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BU of 7ahv by Molmil
Anti-FIXa Fab of mim8 in complex with human FIXa
分子名称: CALCIUM ION, Coagulation factor IX, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ...
著者Johansson, E.
登録日2020-09-25
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献A factor VIIIa-mimetic bispecific antibody, Mim8, ameliorates bleeding upon severe vascular challenge in hemophilia A mice.
Blood, 138, 2021
7QLB
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BU of 7qlb by Molmil
SMYD3 in complex with fragment FL06268
分子名称: 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-20
公開日2023-03-29
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
7QNU
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BU of 7qnu by Molmil
SMYD3 in complex with fragment FL08619
分子名称: BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-22
公開日2023-04-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
7QNR
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BU of 7qnr by Molmil
SMYD3 in complex with fragment FL01791
分子名称: 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Lund, B.A, Cederfelt, D, Dobritzsch, D.
登録日2021-12-22
公開日2023-04-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
6G7Z
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BU of 6g7z by Molmil
Lariat-capping ribozyme with a shortened DP2 stem loop
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lariat-capping ribozyme, MAGNESIUM ION
著者Masquida, B, Meyer, M, Olieric, V.
登録日2018-04-06
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.33595 Å)
主引用文献Conformational adaptation of UNCG loops upon crowding.
Rna, 25, 2019
8BBQ
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BU of 8bbq by Molmil
Determination of the structure of active tyrosinase from bacterium Verrucomicrobium spinosum
分子名称: COPPER (II) ION, Core tyrosinase, GLYCEROL, ...
著者Fekry, M, Dave, K, Badgujar, D, Aurelius, O, Hamnevik, E, Dobritzsch, D, Danielson, H.
登録日2022-10-14
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献The Crystal Structure of Tyrosinase from Verrucomicrobium spinosum Reveals It to Be an Atypical Bacterial Tyrosinase.
Biomolecules, 13, 2023
8BBR
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BU of 8bbr by Molmil
Determination of the structure of active tyrosinase from bacterium Verrucomicrobium spinosum
分子名称: COPPER (II) ION, Core tyrosinase, SULFATE ION
著者Fekry, M, Dave, K, Badgujar, D, Aurelius, O, Hamnevik, E, Dobritzsch, D, Danielson, H.
登録日2022-10-14
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The Crystal Structure of Tyrosinase from Verrucomicrobium spinosum Reveals It to Be an Atypical Bacterial Tyrosinase.
Biomolecules, 13, 2023
8ARU
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BU of 8aru by Molmil
Crystal Structure of human formylglycine generating enzyme
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Formylglycine-generating enzyme
著者Neumann, P, Dickmanns, A, Ficner, R, Rudolph, M.G.
登録日2022-08-17
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Crystal Structure of human formylglycine generating enzyme E130A mutant
To be published
5SSX
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BU of 5ssx by Molmil
Crystal Structure human formylglycine generating enzyme E130D mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
著者Radhakrishnan, K, Schlotawa, L, Rudolph, M.G.
登録日2022-08-12
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal Structure of human formylglycine generating enzyme E130D mutant
To be published
5SSY
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BU of 5ssy by Molmil
Crystal Structure of human formylglycine generating enzyme
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ...
著者Radhakrishnan, K, Schlotawa, L, Rudolph, M.G.
登録日2022-08-12
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Crystal Structure of human formylglycine generating enzyme in complex with N-acetyl-cysteine methylester
To be published
2NXX
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BU of 2nxx by Molmil
Crystal Structure of the Ligand-Binding Domains of the T.castaneum (Coleoptera) Heterodimer EcrUSP Bound to Ponasterone A
分子名称: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone Receptor (EcR, NRH1), ...
著者Iwema, T, Billas, I, Moras, D.
登録日2006-11-20
公開日2007-10-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural and functional characterization of a novel type of ligand-independent RXR-USP receptor.
Embo J., 26, 2007
2E7Z
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BU of 2e7z by Molmil
Acetylene Hydratase from Pelobacter acetylenicus
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ...
著者Einsle, O, Kroneck, P.M.H, Seiffert, G.B, Messerschmidt, A.
登録日2007-01-15
公開日2007-02-27
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure of the non-redox-active tungsten/[4Fe:4S] enzyme acetylene hydratase
Proc.Natl.Acad.Sci.Usa, 104, 2007
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