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6QHM
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BU of 6qhm by Molmil
14-3-3 sigma with RelA/p65 binding site pS281
Descriptor: 14-3-3 protein sigma, LEU-SEP-GLU
Authors:Wolter, M, Ottmann, C.
Deposit date:2019-01-16
Release date:2020-05-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
6QHL
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BU of 6qhl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45
Descriptor: 14-3-3 protein sigma, GLYCEROL, Transcription factor p65
Authors:Wolter, M, Ottmann, C.
Deposit date:2019-01-16
Release date:2020-05-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
7BIW
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BU of 7biw by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187
Descriptor: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-13
Release date:2021-09-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
7BJB
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BU of 7bjb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044
Descriptor: 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-14
Release date:2021-09-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
7BJL
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BU of 7bjl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142
Descriptor: 14-3-3 protein sigma, 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde, Transcription factor p65
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-14
Release date:2021-06-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
7BJW
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BU of 7bjw by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-154
Descriptor: 14-3-3 protein sigma, 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde, Transcription factor p65
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-14
Release date:2021-06-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
7BIQ
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BU of 7biq by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-180
Descriptor: 14-3-3 protein sigma, 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-13
Release date:2021-06-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
7BJF
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BU of 7bjf by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-069
Descriptor: (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-14
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
7BKH
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BU of 7bkh by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-153
Descriptor: 14-3-3 protein sigma, 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde, Transcription factor p65
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-16
Release date:2021-06-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
7BI3
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BU of 7bi3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-179
Descriptor: 14-3-3 protein sigma, 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-12
Release date:2021-06-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
7BIY
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BU of 7biy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175
Descriptor: 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-01-13
Release date:2021-06-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
6HL6
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BU of 6hl6 by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693)
Descriptor: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Leissing, T.M, Chowdhury, R, Clifton, I.J, Lu, X, Schofield, C.J.
Deposit date:2018-09-10
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and iASPP(670-693)
To Be Published
7ZTB
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BU of 7ztb by Molmil
Structure of the Salmonella tRNA pyrophosphokinase CapRel
Descriptor: CHLORIDE ION, RelA/SpoT family protein, SODIUM ION
Authors:Garcia-Pino, A.
Deposit date:2022-05-09
Release date:2022-11-23
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Direct activation of a bacterial innate immune system by a viral capsid protein.
Nature, 612, 2022
8PU1
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BU of 8pu1 by Molmil
Structure of the toxin/antitoxin complex FaRel/ATfaRel2 with APCPP
Descriptor: ATfaRel2, CACODYLATE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Garcia-Pino, A, Talavera Perez, A, Dominguez Molina, L.
Deposit date:2023-07-16
Release date:2024-07-24
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structure of the toxin/antitoxin complex FaRel/ATfaRel2 with APCPP
To Be Published
8PU4
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BU of 8pu4 by Molmil
FaRel2 bound to the ATP analogue, APCPP
Descriptor: MAGNESIUM ION, RelA/SpoT domain-containing protein, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
Authors:Garcia-Pino, A, Talavera Perez, A, Dominguez Molina, L.
Deposit date:2023-07-16
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:FaRel2 bound to the ATP analogue, APCPP
To Be Published
7NZK
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BU of 7nzk by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-121
Descriptor: 14-3-3 protein sigma, 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde, Transcription factor p65
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-03-24
Release date:2021-06-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
7O3Q
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BU of 7o3q by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-041
Descriptor: 14-3-3 protein sigma, 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-02
Release date:2021-06-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
7O5A
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BU of 7o5a by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-158
Descriptor: 14-3-3 protein sigma, 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-08
Release date:2021-06-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
7NK3
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BU of 7nk3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128
Descriptor: 14-3-3 protein sigma, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-02-17
Release date:2021-06-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
7NR7
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BU of 7nr7 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-111
Descriptor: 14-3-3 protein sigma, 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde, 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-03-03
Release date:2021-06-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
7O5O
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BU of 7o5o by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-165
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-09
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
7O6G
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BU of 7o6g by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-176
Descriptor: 14-3-3 protein sigma, 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-11
Release date:2021-06-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
7O5X
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BU of 7o5x by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-173
Descriptor: 14-3-3 protein sigma, 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-09
Release date:2021-06-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
7O6I
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BU of 7o6i by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-085
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-11
Release date:2021-06-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
7O6O
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BU of 7o6o by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-096
Descriptor: (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate, 14-3-3 protein sigma, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-11
Release date:2021-06-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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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