5WOU
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7ZDD
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![BU of 7zdd by Molmil](/molmil-images/mine/7zdd) | Crystal structure of TRIM33 PHD-Bromodomain isoform B in complex with H3K10ac histone peptide. | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM33, Histone H3.X, ... | Authors: | Caria, S, Duclos, S, Crespillo, S, Errey, J, Barker, J.J. | Deposit date: | 2022-03-29 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.625 Å) | Cite: | Identification of Histone Peptide Binding Specificity and Small-Molecule Ligands for the TRIM33 alpha and TRIM33 beta Bromodomains. Acs Chem.Biol., 17, 2022
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6MRY
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![BU of 6mry by Molmil](/molmil-images/mine/6mry) | NoD173 plant defensin | Descriptor: | 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CHLORIDE ION, ... | Authors: | Caria, S, Kvansakul, M. | Deposit date: | 2018-10-15 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional characterization of the membrane-permeabilizing activity ofNicotiana occidentalisdefensin NoD173 and protein engineering to enhance oncolysis. Faseb J., 33, 2019
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6MTU
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![BU of 6mtu by Molmil](/molmil-images/mine/6mtu) | Crystal structure of human Scribble PDZ1:pMCC complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Colorectal mutant cancer protein, ... | Authors: | Caria, S, Stewart, B.Z, Humbert, P.O, Kvansakul, M. | Deposit date: | 2018-10-22 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Structural analysis of phosphorylation-associated interactions of human MCC with Scribble PDZ domains. Febs J., 286, 2019
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6MTV
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![BU of 6mtv by Molmil](/molmil-images/mine/6mtv) | Crystal structure of human Scribble PDZ1:MCC complex | Descriptor: | Colorectal mutant cancer protein, DI(HYDROXYETHYL)ETHER, Protein scribble homolog, ... | Authors: | Caria, S, Stewart, B.Z, Humbert, P.O, Kvansakul, M. | Deposit date: | 2018-10-22 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Structural analysis of phosphorylation-associated interactions of human MCC with Scribble PDZ domains. Febs J., 286, 2019
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5TWA
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![BU of 5twa by Molmil](/molmil-images/mine/5twa) | Crystal structure of Geodia cydonium BHP2 in complex with Lubomirskia baicalensis Bak-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAK-2 protein, ... | Authors: | Caria, S, Hinds, M.G, Kvansakul, M. | Deposit date: | 2016-11-12 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insight into an evolutionarily ancient programmed cell death regulator - the crystal structure of marine sponge BHP2 bound to LB-Bak-2. Cell Death Dis, 8, 2017
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6Z9G
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![BU of 6z9g by Molmil](/molmil-images/mine/6z9g) | Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-03 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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6Z9O
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![BU of 6z9o by Molmil](/molmil-images/mine/6z9o) | Structure of [NiFeSe] hydrogenase G491S variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2-ld | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-04 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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6ZA1
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![BU of 6za1 by Molmil](/molmil-images/mine/6za1) | Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2-hd | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-04 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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6Z8J
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![BU of 6z8j by Molmil](/molmil-images/mine/6z8j) | Structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris hildenborough pressurized with Oxygen gas - structure wtO2 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-02 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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6Z7R
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![BU of 6z7r by Molmil](/molmil-images/mine/6z7r) | Structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris hildenborough pressurized with Krypton gas - structure wtKr1 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-01 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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6Z8M
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![BU of 6z8m by Molmil](/molmil-images/mine/6z8m) | Structure of [NiFeSe] hydrogenase G491S variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491S-O2 | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-02 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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6Z8O
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![BU of 6z8o by Molmil](/molmil-images/mine/6z8o) | Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Krypton gas - structure G491A-Kr | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2020-06-02 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem., 25, 2020
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2VF7
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![BU of 2vf7 by Molmil](/molmil-images/mine/2vf7) | Crystal structure of UvrA2 from Deinococcus radiodurans | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, EXCINUCLEASE ABC, SUBUNIT A., ... | Authors: | Timmins, J, Gordon, E, Caria, S, Leonard, G, Kuo, M.S, Monchois, V, McSweeney, S. | Deposit date: | 2007-10-31 | Release date: | 2008-12-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and mutational analyses of Deinococcus radiodurans UvrA2 provide insight into DNA binding and damage recognition by UvrAs. Structure, 17, 2009
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2VF8
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![BU of 2vf8 by Molmil](/molmil-images/mine/2vf8) | Crystal structure of UvrA2 from Deinococcus radiodurans | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, EXCINUCLEASE ABC SUBUNIT A, PHOSPHATE ION, ... | Authors: | Timmins, J, Gordon, E, Caria, S, Leonard, G, Kuo, M.S, Monchois, V, McSweeney, S. | Deposit date: | 2007-10-31 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Mutational Analyses of Deinococcus Radiodurans Uvra2 Provide Insight Into DNA Binding and Damage Recognition by Uvras. Structure, 17, 2009
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7S1L
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![BU of 7s1l by Molmil](/molmil-images/mine/7s1l) | Crystal structure of E.coli DsbA in complex with compound MIPS-0001896 (compound 72) | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | Deposit date: | 2021-09-02 | Release date: | 2023-02-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
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7S1D
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![BU of 7s1d by Molmil](/molmil-images/mine/7s1d) | Crystal structure of E.coli DsbA in complex with compound MIPS-0001877 (compound 39) | Descriptor: | 1-[3-(thiophen-3-yl)benzyl]piperidin-2-one, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | Deposit date: | 2021-09-02 | Release date: | 2023-02-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
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7S1F
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![BU of 7s1f by Molmil](/molmil-images/mine/7s1f) | Crystal structure of E.coli DsbA in complex with compound MIPS-0001886 (compound 38) | Descriptor: | 1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one, COPPER (II) ION, GLYCEROL, ... | Authors: | Heras, B, Scanlon, M.J, Martin, J.L, Caria, S. | Deposit date: | 2021-09-02 | Release date: | 2023-02-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates Chemrxiv, 2022
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4WF4
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![BU of 4wf4 by Molmil](/molmil-images/mine/4wf4) | Crystal structure of E.Coli DsbA co-crystallised in complex with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, Thiol:disulfide interchange protein | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-12 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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4WF5
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![BU of 4wf5 by Molmil](/molmil-images/mine/4wf5) | Crystal structure of E.Coli DsbA soaked with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, ... | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-12 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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4WEY
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![BU of 4wey by Molmil](/molmil-images/mine/4wey) | Crystal structure of E.Coli DsbA in complex with compound 17 | Descriptor: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine, Thiol:disulfide interchange protein | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-11 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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6MS1
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![BU of 6ms1 by Molmil](/molmil-images/mine/6ms1) | Crystal structure of the human Scribble PDZ1 domain bound to the PDZ-binding motif of APC | Descriptor: | 1,2-ETHANEDIOL, APC C-terminus peptide, Protein scribble homolog | Authors: | How, J.Y, Kvansakul, M, Caria, S, Humbert, P.O. | Deposit date: | 2018-10-16 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of the human Scribble PDZ1 domain bound to the PDZ-binding motif of APC. FEBS Lett., 593, 2019
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5UA4
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5UA5
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6RTP
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![BU of 6rtp by Molmil](/molmil-images/mine/6rtp) | |