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7AZ7
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BU of 7az7 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 37 bound
Descriptor: Beta sliding clamp, FORMIC ACID, PENTAETHYLENE GLYCOL, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZ6
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BU of 7az6 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 36 bound
Descriptor: ACETATE ION, Beta sliding clamp, CHLORIDE ION, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZ8
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BU of 7az8 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 43 bound
Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZD
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BU of 7azd by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 20 bound
Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZE
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BU of 7aze by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 18 bound
Descriptor: Beta sliding clamp, GLYCEROL, MALONATE ION, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7UU0
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BU of 7uu0 by Molmil
Crystal structure of the BRD2-BD2 in complex with a ligand
Descriptor: 1,2-ETHANEDIOL, Isoform 3 of Bromodomain-containing protein 2, methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
Authors:Kalra, P, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2022-04-28
Release date:2023-05-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the BRD2-BD2 in complex with a ligand
To Be Published
7AZC
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BU of 7azc by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 22 bound
Descriptor: Beta sliding clamp, GLYCEROL, Peptide 22
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZF
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BU of 7azf by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 8 bound
Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZK
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BU of 7azk by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 35 bound
Descriptor: Beta sliding clamp, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
3T67
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BU of 3t67 by Molmil
Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
Descriptor: CATECHOL, FE (III) ION, GLYCEROL, ...
Authors:Purpero, V.M, Lipscomb, J.D.
Deposit date:2011-07-28
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
To be Published
6C41
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BU of 6c41 by Molmil
The clavanin peptide in the presence of TFE (2,2,2-trifluoroethanol), presented a amphipathic alpha-helices from Phe-2 to Val-22 residues
Descriptor: Clavanin-A
Authors:Alves, E.S.F, Liao, L.M.
Deposit date:2018-01-11
Release date:2018-02-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Studies of a Lipid-Binding Peptide from Tunicate Hemocytes with Anti-Biofilm Activity.
Sci Rep, 6, 2016
7XJW
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BU of 7xjw by Molmil
Crystal structure of canine coronavirus main protease in complex with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ORF1a polyprotein
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chiu, Y.F, Chen, Y.
Deposit date:2022-04-18
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A Structural Comparison of SARS-CoV-2 Main Protease and Animal Coronaviral Main Protease Reveals Species-Specific Ligand Binding and Dimerization Mechanism.
Int J Mol Sci, 23, 2022
6CZN
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BU of 6czn by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II peptide
Descriptor: 4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol, Estrogen receptor, GRIP Peptide
Authors:Fanning, S.W, Han, R, Maximov, P, Jordan, V.C, Greene, G.L.
Deposit date:2018-04-09
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Z2OHTPE and a glucocorticoid receptor-interacting protein 1 NR box II peptide
To Be Published
4YY3
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BU of 4yy3 by Molmil
30S ribosomal subunit- HigB complex
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schureck, M.A, Maehigashi, T, Dunham, C.M.
Deposit date:2015-03-23
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:mRNA bound to the 30S subunit is a HigB toxin substrate.
Rna, 22, 2016
5H8J
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BU of 5h8j by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with cadaverine
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
5H8L
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BU of 5h8l by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant in complex with putrescine
Descriptor: 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, DI(HYDROXYETHYL)ETHER, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
3UP0
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BU of 3up0 by Molmil
Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid
Descriptor: (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid, Nuclear receptor coactivator 2, aceDAF-12
Authors:Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E.
Deposit date:2011-11-17
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes.
J.Biol.Chem., 287, 2012
6BO2
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BU of 6bo2 by Molmil
Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL
Descriptor: CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ...
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2017-11-17
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Unexpected arene ligand exchange results in the oxidation of an organoruthenium anticancer agent: the first X-ray structure of a protein-Ru(carbene) adduct.
Chem. Commun. (Camb.), 54, 2018
6GUP
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BU of 6gup by Molmil
Siderophore hydrolase EstB from Aspergillus fumigatus
Descriptor: GLYCEROL, Siderophore biosynthesis lipase/esterase, putative
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
4GN8
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BU of 4gn8 by Molmil
mouse SMP30/GNL-1,5-AG complex
Descriptor: 1,5-anhydro-D-glucitol, CALCIUM ION, Regucalcin, ...
Authors:Aizawa, S, Senda, M, Harada, A, Maruyama, N, Ishida, T, Aigaki, T, Ishigami, A, Senda, T.
Deposit date:2012-08-17
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of the gamma-lactone-ring formation in ascorbic acid biosynthesis by the senescence marker protein-30/gluconolactonase
Plos One, 8, 2013
4GN9
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BU of 4gn9 by Molmil
mouse SMP30/GNL-glucose complex
Descriptor: CALCIUM ION, Regucalcin, SULFATE ION, ...
Authors:Aizawa, S, Senda, M, Harada, A, Maruyama, N, Ishida, T, Aigaki, T, Ishigami, A, Senda, T.
Deposit date:2012-08-17
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the gamma-lactone-ring formation in ascorbic acid biosynthesis by the senescence marker protein-30/gluconolactonase
Plos One, 8, 2013
1ZRJ
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BU of 1zrj by Molmil
Solution structure of the SAP domain of human E1B-55kDa-associated protein 5 isoform c
Descriptor: E1B-55kDa-associated protein 5 isoform c
Authors:Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-19
Release date:2005-11-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the SAP domain of human E1B-55kDa-associated protein 5 isoform c
To be Published
1LH2
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BU of 1lh2 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (AQUO MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
6GUL
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BU of 6gul by Molmil
Siderophore hydrolase EstB mutant E211Q from Aspergillus fumigatus
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
6H6J
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BU of 6h6j by Molmil
Carbomonoxy murine neuroglobin Gly-loop mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON MONOXIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G.
Deposit date:2018-07-27
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating.
Sci Rep, 9, 2019

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