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5JF0
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BU of 5jf0 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Arg
分子名称: ACETATE ION, MET-ALA-ARG, NICKEL (II) ION, ...
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
4C61
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BU of 4c61 by Molmil
Inhibitors of Jak2 Kinase domain
分子名称: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
著者Read, J.A, Green, I, Pollard, H, Howard, T.
登録日2013-09-17
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
4C62
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BU of 4c62 by Molmil
Inhibitors of Jak2 Kinase domain
分子名称: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
著者Read, J, Green, I, Pollard, H, Howard, T.
登録日2013-09-17
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
5JEX
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BU of 5jex by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae, crystallized in imidazole buffer
分子名称: IMIDAZOLE, Peptide deformylase, ZINC ION
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5JF3
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BU of 5jf3 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT018
分子名称: ACETATE ION, IMIDAZOLE, Peptide deformylase, ...
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5JEY
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BU of 5jey by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae, crystallized in cacodylate buffer
分子名称: NICKEL (II) ION, Peptide deformylase
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5JF6
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BU of 5jf6 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor 6b (AB47)
分子名称: 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide, ACETATE ION, Peptide deformylase, ...
著者Fieulaine, S, Giglione, C, Meinnel, T, Hamiche, K.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5JEZ
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BU of 5jez by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with tripeptide Met-Ala-Ser
分子名称: ACETATE ION, Met-Ala-Ser, Peptide deformylase, ...
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5JF7
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BU of 5jf7 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor SMP289
分子名称: 2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide, ACETATE ION, IMIDAZOLE, ...
著者Fieulaine, S, Giglione, C, Meinnel, T, Hamiche, K.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5JF8
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BU of 5jf8 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor RAS358 (21)
分子名称: ACETATE ION, IMIDAZOLE, Peptide deformylase, ...
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5JF2
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BU of 5jf2 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT002
分子名称: (3R)-3-{3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyheptanamide, ACETATE ION, IMIDAZOLE, ...
著者Fieulaine, S, Giglione, C, Meinnel, T, Hamiche, K.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5JF1
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BU of 5jf1 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with actinonin
分子名称: ACETATE ION, ACTINONIN, Peptide deformylase, ...
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5JF5
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BU of 5jf5 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT020
分子名称: (3R)-3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl}-4-cyclopentyl-N-hydroxybutanamide, ACETATE ION, IMIDAZOLE, ...
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
8C0F
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BU of 8c0f by Molmil
Tubulin-PTC596 complex
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ...
著者Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O.
登録日2022-12-16
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1005 Å)
主引用文献Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent
Mol Cancer Ther, 20, 2021
8J2P
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BU of 8j2p by Molmil
Crystal structure of PML B-box2
分子名称: Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhou, C, Zang, N, Zhang, J.
登録日2023-04-15
公開日2023-09-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
8J25
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BU of 8j25 by Molmil
Crystal structure of PML B-box2 mutant
分子名称: Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhou, C, Zang, N, Zhang, J.
登録日2023-04-14
公開日2023-09-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
5MDM
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BU of 5mdm by Molmil
Structural intermediates in the fusion associated transition of vesiculovirus glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Baquero, E, Albertini, A.A, Gaudin, Y, Bressanelli, S.
登録日2016-11-11
公開日2016-12-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献Structural intermediates in the fusion-associated transition of vesiculovirus glycoprotein.
EMBO J., 36, 2017
4YAB
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BU of 4yab by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
分子名称: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAD
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BU of 4yad by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b)
分子名称: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
5NCL
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BU of 5ncl by Molmil
Crystal structure of the Cbk1-Mob2 kinase-coactivator complex with an SSD1 peptide
分子名称: CBK1 kinase activator protein MOB2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein SSD1, ...
著者Gogl, G, Remenyi, A, Parker, B, Weiss, E.
登録日2017-03-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Ndr/Lats Kinases Bind Specific Mob-Family Coactivators through a Conserved and Modular Interface.
Biochemistry, 2020
5NCM
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BU of 5ncm by Molmil
Crystal structure Cbk1(NTR)-Mob2 complex
分子名称: CBK1 kinase activator protein MOB2, Serine/threonine-protein kinase CBK1, ZINC ION
著者Gogl, G, Remenyi, A, Parker, B, Weiss, E.
登録日2017-03-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ndr/Lats Kinases Bind Specific Mob-Family Coactivators through a Conserved and Modular Interface.
Biochemistry, 2020
4YBM
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BU of 4ybm by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b)
分子名称: GLYCEROL, N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBS
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BU of 4ybs by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g)
分子名称: DIMETHYL SULFOXIDE, N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAX
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BU of 4yax by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g)
分子名称: GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
5NCN
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BU of 5ncn by Molmil
Crystal structure Dbf2(NTR)-Mob1 complex
分子名称: CHLORIDE ION, Cell cycle protein kinase DBF2, DBF2 kinase activator protein MOB1, ...
著者Gogl, G, Remenyi, A, Parker, B, Weiss, E.
登録日2017-03-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Ndr/Lats Kinases Bind Specific Mob-Family Coactivators through a Conserved and Modular Interface.
Biochemistry, 2020

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