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8BZT
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BU of 8bzt by Molmil
FC-NAg stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZH
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BU of 8bzh by Molmil
FC-NAc stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8BZG
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BU of 8bzg by Molmil
FC-31 stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin 31, ...
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8C0L
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BU of 8c0l by Molmil
FC-THF stabilizer of 14-3-3 and ERalpha
Descriptor: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin A-THF
Authors:Visser, E.J, Ottmann, C.
Deposit date:2022-12-17
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
3IW6
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BU of 3iw6 by Molmil
Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol
Descriptor: Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3IW5
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BU of 3iw5 by Molmil
Human p38 MAP Kinase in Complex with an Indole Derivative
Descriptor: Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3IW8
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BU of 3iw8 by Molmil
Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea
Descriptor: 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3IW7
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BU of 3iw7 by Molmil
Human p38 MAP Kinase in Complex with an Imidazo-pyridine
Descriptor: 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
7NPC
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BU of 7npc by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM156
Descriptor: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2021-02-26
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
7NP5
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BU of 7np5 by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216
Descriptor: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid, Nuclear receptor ROR-gamma
Authors:Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2021-02-26
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
7NEC
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BU of 7nec by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM217
Descriptor: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma
Authors:Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2021-02-03
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
7NP6
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BU of 7np6 by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM257
Descriptor: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma
Authors:Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2021-02-26
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
5J31
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BU of 5j31 by Molmil
Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, Exoenzyme S
Authors:Wallraven, K, Cromm, P, Bier, D, Glas, A, Grossmann, T.
Deposit date:2016-03-30
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne Metathesis.
Chembiochem, 17, 2016
6FNC
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BU of 6fnc by Molmil
Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, CALCIUM ION, ...
Authors:Bier, D, Ottann, C.
Deposit date:2018-02-02
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (OEG) Moieties in Proteins.
Chemistry, 24, 2018
5C4U
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BU of 5c4u by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5C4S
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BU of 5c4s by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5C4O
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BU of 5c4o by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
5C4T
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BU of 5c4t by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
Descriptor: (1S)-4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-1-methylcyclohex-3-ene-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma, ...
Authors:Parthasarathy, G, Soisson, S.
Deposit date:2015-06-18
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
7AEW
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BU of 7aew by Molmil
14-3-3 sigma bound to bis-phosphorylated aminopeptidase N (APN, CD13) via canonical and non-canonical binding motifs
Descriptor: 14-3-3 protein sigma, Aminopeptidase N, CHLORIDE ION, ...
Authors:Kiehstaller, S, Hennig, S.
Deposit date:2020-09-18
Release date:2020-11-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:MMP activation-associated aminopeptidase N reveals a bivalent 14-3-3 binding motif.
J.Biol.Chem., 295, 2020
6Y4K
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BU of 6y4k by Molmil
Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and Fusicoccin A
Descriptor: 14-3-3 protein gamma, Calcium/calmodulin-dependent protein kinase kinase 2, FUSICOCCIN
Authors:Lentini Santo, D, Obsilova, V, Obsil, T.
Deposit date:2020-02-21
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins.
Acs Chem.Biol., 15, 2020
6Y6B
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BU of 6y6b by Molmil
Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and 16-OMe-Fusicoccin H
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol, 14-3-3 protein gamma, Calcium/calmodulin-dependent protein kinase kinase 2
Authors:Lentini Santo, D, Obsilova, V, Obsil, T.
Deposit date:2020-02-26
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins.
Acs Chem.Biol., 15, 2020
6YIC
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BU of 6yic by Molmil
14-3-3 sigma in complex with SMAD4 pS403 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, GLYCEROL, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YIA
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BU of 6yia by Molmil
14-3-3 sigma in complex with SMAD2 pS465 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YIB
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BU of 6yib by Molmil
14-3-3 sigma in complex with SMAD3 pS423 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Kiehstaller, S, Graf, S, Hennig, S.
Deposit date:2020-04-01
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6XWD
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BU of 6xwd by Molmil
14-3-3 sigma bound to canonical mono-phosphorylated aminopeptidase N (APN, CD13) binding motif
Descriptor: 14-3-3 protein sigma, Amino peptidase N 38-46, CALCIUM ION, ...
Authors:Kiehstaller, S, Hennig, S.
Deposit date:2020-01-23
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.60000193 Å)
Cite:MMP activation-associated aminopeptidase N reveals a bivalent 14-3-3 binding motif.
J.Biol.Chem., 295, 2020

225946

数据于2024-10-09公开中

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