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7O3S
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BU of 7o3s by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-045
Descriptor: 14-3-3 protein sigma, 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine, 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 (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
7O5S
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BU of 7o5s by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-167
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-09
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
7O6J
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BU of 7o6j by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-083
Descriptor: (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-11
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
7OOG
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BU of 7oog by Molmil
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823
Descriptor: 4-bromanylpyridin-2-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ...
Authors:Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I.
Deposit date:2021-05-27
Release date:2021-06-02
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structures of the Plasmodium falciparum heat-shock protein 70-x ATPase domain in complex with chemical fragments identify conserved and unique binding sites.
Acta Crystallogr.,Sect.F, 77, 2021
7O3A
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BU of 7o3a by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-046
Descriptor: 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol, 14-3-3 protein sigma, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-01
Release date:2021-06-09
Last modified:2024-10-23
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
6CLU
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BU of 6clu by Molmil
Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure
Descriptor: Dihydropteroate synthase
Authors:Gajewski, S, Griffith, E.C, Wu, Y, White, S.W.
Deposit date:2018-03-02
Release date:2018-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
7O5G
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BU of 7o5g by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-164
Descriptor: 14-3-3 protein sigma, 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide, 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
7O6M
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BU of 7o6m by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-097
Descriptor: (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-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
5LCD
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BU of 5lcd by Molmil
Structure of Polyphosphate Kinase from Meiothermus ruber bound to AMP
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N.
Deposit date:2016-06-21
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7NZV
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BU of 7nzv by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-120
Descriptor: 14-3-3 protein sigma, 4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-03-24
Release date:2021-06-09
Last modified:2024-10-09
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
7O3R
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BU of 7o3r by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-042
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-02
Release date:2021-06-09
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
7O5C
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BU of 7o5c by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-159
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-08
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
5LD1
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BU of 5ld1 by Molmil
Crystal Structure of Polyphosphate Kinase from Meiothermus ruber bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Gerhardt, S, Einsle, O, Kemper, F, Schwarzer, N.
Deposit date:2016-06-23
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7O3P
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BU of 7o3p by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-116
Descriptor: 14-3-3 protein sigma, 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole, CALCIUM ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-02
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
5LDQ
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BU of 5ldq by Molmil
Crystal structure of E.coli LigT complexed with NADP+
Descriptor: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL, ...
Authors:Myllykoski, M, Kursula, P.
Deposit date:2016-06-27
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase.
PLoS ONE, 12, 2017
7O57
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BU of 7o57 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-157
Descriptor: 14-3-3 protein sigma, 3-morpholin-4-yl-4-nitro-benzaldehyde, Transcription factor p65
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-08
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
7O5D
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BU of 7o5d by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-160
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-08
Release date:2021-06-09
Last modified:2024-10-09
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
7O5U
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BU of 7o5u by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-168
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide, 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
5LE5
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BU of 5le5 by Molmil
Native human 20S proteasome at 1.8 Angstrom
Descriptor: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-29
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
7O6K
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BU of 7o6k by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-080
Descriptor: (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate, 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
5M18
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BU of 5m18 by Molmil
Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
5M1F
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BU of 5m1f by Molmil
Crystal structure of the large terminase nuclease from thermophilic phage G20c
Descriptor: Phage terminase large subunit
Authors:Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A.
Deposit date:2016-10-07
Release date:2016-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
7O34
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BU of 7o34 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-043
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, Transcription factor p65, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-01
Release date:2021-06-09
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
5LFP
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BU of 5lfp by Molmil
Crystal Structure of the Bacterial Proteasome Activator Bpa of Mycobacterium tuberculosis (space group P6322, SeMet)
Descriptor: Bacterial proteasome activator
Authors:Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E.
Deposit date:2016-07-04
Release date:2016-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.303 Å)
Cite:Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome.
Structure, 24, 2016
7O59
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BU of 7o59 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-192
Descriptor: 14-3-3 protein sigma, 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde, 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-04-08
Release date:2021-06-09
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

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数据于2025-10-15公开中

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