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3NGH
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BU of 3ngh by Molmil
Molecular Analysis of the Interaction of the HDL Receptor SR-BI with the Adaptor Protein PDZK1
Descriptor: PDZ domain-containing protein 1
Authors:Kocher, O, Birrane, G, Krieger, M, Ladias, J.A.
Deposit date:2010-06-11
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In vitro and in vivo analysis of the binding of the C terminus of the HDL receptor scavenger receptor class B, type I (SR-BI), to the PDZ1 domain of its adaptor protein PDZK1.
J.Biol.Chem., 285, 2010
3R68
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BU of 3r68 by Molmil
Molecular Analysis of the PDZ3 domain of PDZK1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Kocher, O, Birrane, G, Krieger, M.
Deposit date:2011-03-21
Release date:2011-05-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification of the PDZ3 Domain of the Adaptor Protein PDZK1 as a Second, Physiologically Functional Binding Site for the C Terminus of the High Density Lipoprotein Receptor Scavenger Receptor Class B Type I.
J.Biol.Chem., 286, 2011
3R69
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BU of 3r69 by Molmil
Molecular analysis of the interaction of the HDL-receptor SR-BI with the PDZ3 domain of its adaptor protein PDZK1
Descriptor: CITRIC ACID, Na(+)/H(+) exchange regulatory cofactor NHE-RF3, Scavenger receptor class B member 1
Authors:Kocher, O, Birrane, G, Krieger, M.
Deposit date:2011-03-21
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Identification of the PDZ3 Domain of the Adaptor Protein PDZK1 as a Second, Physiologically Functional Binding Site for the C Terminus of the High Density Lipoprotein Receptor Scavenger Receptor Class B Type I.
J.Biol.Chem., 286, 2011
4F8K
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BU of 4f8k by Molmil
Molecular analysis of the interaction between the prostacyclin receptor and the first PDZ domain of PDZK1
Descriptor: Na(+)/H(+) exchange regulatory cofactor NHE-RF3, Prostacyclin receptor
Authors:Kocher, O, Birrane, G, Kinsella, B.T, Mulvaney, E.P.
Deposit date:2012-05-17
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Analysis of the Prostacyclin Receptor's Interaction with the PDZ1 Domain of Its Adaptor Protein PDZK1.
Plos One, 8, 2013
8CCI
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BU of 8cci by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2023-07-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening.
Acta Crystallogr D Struct Biol, 79, 2023
8CCK
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BU of 8cck by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry H07
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCJ
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BU of 8ccj by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with NADPH
Descriptor: DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCL
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BU of 8ccl by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry A09
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
8CCM
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BU of 8ccm by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with Compound 2-06
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fuesser, F.T, Koch, O, Kuemmel, D.
Deposit date:2023-01-27
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
4R2Z
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BU of 4r2z by Molmil
Molecular Analysis of the PDZ4 Domain of Mouse PDZK1
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3
Authors:Birrane, G, Kocher, O, Krieger, M.
Deposit date:2014-08-13
Release date:2015-08-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Analysis of the PDZ4 domain from Mouse PDZK1
To be Published
5JM4
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BU of 5jm4 by Molmil
Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU
Authors:Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T.
Deposit date:2016-04-28
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.
J. Med. Chem., 60, 2017
7P9D
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BU of 7p9d by Molmil
Crystal structure of Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase
Authors:Singh, R.K, Marchetti, G.M, Hippler, M, Kuemmel, D.
Deposit date:2021-07-27
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii.
J.Struct.Biol., 214, 2021
7P9E
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BU of 7p9e by Molmil
Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain CS mutant
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase
Authors:Fuesser, F, Kuemmel, D.
Deposit date:2021-07-27
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii.
J.Struct.Biol., 214, 2021
6G0H
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BU of 6g0h by Molmil
BRD4 (BD1) in complex with APSC-derived ligands (e.g. SSLH01 a sulfasalazine derivate)
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid, Bromodomain-containing protein 4, ...
Authors:Humbeck, L, Pretzel, J.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
6G0D
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BU of 6g0d by Molmil
BRD4 (BD1) in complex with APSC-derived ligands (e.g. LY294002)
Descriptor: 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, Bromodomain-containing protein 4
Authors:Pretzel, J, Humbeck, L.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.314 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
6G0F
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BU of 6g0f by Molmil
BRD4 (BD1) in complex with docking-derived ligand
Descriptor: (4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Pretzel, J, Humbeck, L.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.618 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
6G0E
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BU of 6g0e by Molmil
BRD4 (BD1) in complex with APSC-derived ligands
Descriptor: 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one, Bromodomain-containing protein 4, FORMIC ACID, ...
Authors:Pretzel, J, Humbeck, L.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
6G0G
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BU of 6g0g by Molmil
BRD4 (BD1) in complex with APSC-derived ligands (e.g. sulfasalazine)
Descriptor: 1,2-ETHANEDIOL, 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, Bromodomain-containing protein 4, ...
Authors:Humbeck, L, Pretzel, J.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019

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