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8BZB
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BU of 8bzb by Molmil
co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-ethoxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BZ0
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BU of 8bz0 by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ275)
分子名称: 14-3-3 protein sigma, 4-ethoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C4G
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BU of 8c4g by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ132)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2023-01-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
3D48
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BU of 3d48 by Molmil
Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin receptor
分子名称: CARBONATE ION, Prolactin, Prolactin receptor
著者Svensson, L.A, Breinholt, J.
登録日2008-05-14
公開日2008-06-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin receptor
J.Biol.Chem., 283, 2008
4P8Q
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BU of 4p8q by Molmil
Crystal Structure of Human Insulin Regulated Aminopeptidase with Alanine in Active Site
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, Leucyl-cystinyl aminopeptidase, ...
著者Hermans, S.J, Ascher, D.B, Hancock, N.C, Holien, J.K, Michell, B, Morton, C.J, Parker, M.W.
登録日2014-03-31
公開日2014-12-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Crystal structure of human insulin-regulated aminopeptidase with specificity for cyclic peptides.
Protein Sci., 24, 2015
8BZA
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BU of 8bza by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ555)
分子名称: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CRH
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BU of 8crh by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil
分子名称: 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Kirkman, T.J, Dias, M.V.B.
登録日2023-03-08
公開日2023-08-02
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
8IM0
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BU of 8im0 by Molmil
mCherry-LaM8 complex
分子名称: LaM8, MCherry fluorescent protein
著者Liang, H, Liu, R, Ding, Y.
登録日2023-03-05
公開日2023-06-21
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
8C0K
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BU of 8c0k by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075302)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-17
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BYY
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BU of 8byy by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074395)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
3LXO
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BU of 3lxo by Molmil
The crystal structure of ribonuclease A in complex with thymidine-3'-monophosphate
分子名称: Ribonuclease pancreatic, THYMIDINE-3'-PHOSPHATE
著者Doucet, N, Jayasundera, T.B, Simonovic, M, Loria, J.P.
登録日2010-02-25
公開日2010-04-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献The crystal structure of ribonuclease A in complex with thymidine-3'-monophosphate provides further insight into ligand binding.
Proteins, 78, 2010
8C04
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BU of 8c04 by Molmil
Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-15
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C4F
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BU of 8c4f by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ037)
分子名称: 14-3-3 protein sigma, 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2023-01-03
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8IDN
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BU of 8idn by Molmil
Cryo-EM structure of RBD/E77-Fab complex
分子名称: E77 Fab heavy chain, E77 Fab light chain, Spike protein S1, ...
著者Lu, D.F, Zhang, Z.C.
登録日2023-02-13
公開日2023-06-21
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献The structure of the RBD-E77 Fab complex reveals neutralization and immune escape of SARS-CoV-2.
Acta Crystallogr D Struct Biol, 79, 2023
3CL3
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BU of 3cl3 by Molmil
Crystal Structure of a vFLIP-IKKgamma complex: Insights into viral activation of the IKK signalosome
分子名称: NF-kappa-B essential modulator, ORF K13
著者Bagneris, C, Ageichik, A.V, Cronin, N, Boshoff, C, Waksman, G, Barrett, T.
登録日2008-03-18
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a vFlip-IKKgamma complex: insights into viral activation of the IKK signalosome.
Mol.Cell, 30, 2008
3D69
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BU of 3d69 by Molmil
Crystal Structure of the Fab Fragment of an Anti-Factor IX Antibody 10C12
分子名称: anti-factor IX antibody, 10C12
著者Shi, X.L, Huang, M.D, Zeng, T.
登録日2008-05-19
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.77 Å)
主引用文献Crystal structure of Fab Fragment of an anti-Factor IX antibody 10C12
CHIN.J.STRUCT.CHEM., 27, 2008
4PC6
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BU of 4pc6 by Molmil
Elongation factor Tu:Ts complex with bound GDPNP
分子名称: Elongation factor Ts, Elongation factor Tu, GLYCEROL, ...
著者Thirup, S.S.
登録日2014-04-14
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural outline of the detailed mechanism for elongation factor Ts-mediated guanine nucleotide exchange on elongation factor Tu.
J.Struct.Biol., 191, 2015
4PH7
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BU of 4ph7 by Molmil
Structure of Osh6p in complex with phosphatidylinositol 4-phosphate
分子名称: (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, Oxysterol-binding protein homolog 6
著者Delfosse, V, Moser von Filseck, J, Antonny, B, Bourguet, W, Drin, G.
登録日2014-05-05
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献INTRACELLULAR TRANSPORT. Phosphatidylserine transport by ORP/Osh proteins is driven by phosphatidylinositol 4-phosphate.
Science, 349, 2015
7NM3
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BU of 7nm3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-135
分子名称: 14-3-3 protein sigma, 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-23
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
3D7E
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BU of 3d7e by Molmil
Enterococcus casseliflavus glycerol kinase mutant HIS232ALA complexed with glycerol
分子名称: GLYCEROL, Glycerol kinase
著者Yeh, J.I, Vahedi-Faridi, A.
登録日2008-05-21
公開日2009-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural characterizations of glycerol kinase: unraveling phosphorylation-induced long-range activation
Biochemistry, 48, 2009
7NK5
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BU of 7nk5 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-124
分子名称: 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine, 14-3-3 protein sigma, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-17
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
8BYZ
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BU of 8byz by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210)
分子名称: 14-3-3 protein sigma, 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
5AP9
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BU of 5ap9 by Molmil
Controlled lid-opening in Thermomyces lanuginosus lipase - a switch for activity and binding
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Skjold-Joergensen, J, Vind, J, Moroz, O.V, Blagova, E.V, Bhatia, V.K, Svendsen, A, Wilson, K.S, Bjerrum, M.J.
登録日2015-09-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Controlled lid-opening in Thermomyces lanuginosus lipase- An engineered switch for studying lipase function.
Biochim. Biophys. Acta, 1865, 2017
7S9Z
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BU of 7s9z by Molmil
Helicobacter Hepaticus CcsBA Closed Conformation
分子名称: Cytochrome c biogenesis protein, HEME B/C, PHOSPHATIDYLETHANOLAMINE
著者Mendez, D.L, Lowder, E.P, Tillman, D.E, Sutherland, M.C, Collier, A.L, Rau, M.J, Fitzpatrick, J.A, Kranz, R.G.
登録日2021-09-21
公開日2021-12-22
最終更新日2022-01-12
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Cryo-EM of CcsBA reveals the basis for cytochrome c biogenesis and heme transport.
Nat.Chem.Biol., 18, 2022
7NLE
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BU of 7nle by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-118
分子名称: 14-3-3 protein sigma, 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-22
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021

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