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7PJH
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BU of 7pjh by Molmil
Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8
Descriptor: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
Authors:Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
Deposit date:2021-08-24
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
6V84
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BU of 6v84 by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALAc
Descriptor: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, LyCALAc
Authors:Gill, N.P, Madden, D.R.
Deposit date:2019-12-10
Release date:2021-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:CFTR Associated Ligand (CAL) PDZ domain bound to peptidomimetic LyCALAc
To Be Published
7PSC
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BU of 7psc by Molmil
Crystal structure of the disease-causing I358T mutant of the human dihydrolipoamide dehydrogenase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Nemes-Nikodem, E, Szabo, E, Zambo, Z, Vass, K.R, Taberman, H, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2021-09-22
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.436 Å)
Cite:Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase.
Int J Mol Sci, 24, 2023
7AZ5
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BU of 7az5 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 47 bound
Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, Peptide 47, ...
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 (1.87 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZG
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BU of 7azg by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 4 bound
Descriptor: Beta sliding clamp, Peptide 4
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 (2.92 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZL
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BU of 7azl by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 38 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:2024-07-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
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
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
1SRJ
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BU of 1srj by Molmil
STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor: 2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID, STREPTAVIDIN
Authors:Weber, P.C, Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-11-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
4Y59
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BU of 4y59 by Molmil
Crystal structure of ALiS1-Streptavidin complex
Descriptor: 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one, Streptavidin
Authors:Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T.
Deposit date:2015-02-11
Release date:2015-09-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
7ZC7
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BU of 7zc7 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941
Descriptor: 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Scaletti, E, Stenmark, P.
Deposit date:2022-03-25
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941
To Be Published
4F1Q
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BU of 4f1q by Molmil
Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E)
Descriptor: (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H.
Deposit date:2012-05-07
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
6BU7
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BU of 6bu7 by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
Descriptor: 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
Deposit date:2017-12-08
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
7B2I
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BU of 7b2i by Molmil
Heterodimeric tRNA-Guanine Transglycosylase from mouse
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
Authors:Sebastiani, M, Heine, A, Reuter, K.
Deposit date:2020-11-27
Release date:2021-12-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
7ZG3
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BU of 7zg3 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
Authors:Davies, J.R, Scaletti, E, Stenmark, P.
Deposit date:2022-04-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228
To Be Published
2X9N
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BU of 2x9n by Molmil
High resolution structure of TbPTR1 in complex with cyromazine
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETATE ION, DITHIANE DIOL, ...
Authors:Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N.
Deposit date:2010-03-23
Release date:2010-06-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
5C9V
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BU of 5c9v by Molmil
Structure of human Parkin G319A
Descriptor: E3 ubiquitin-protein ligase parkin, GLYCEROL, SULFATE ION, ...
Authors:Wauer, T, Komander, D.
Deposit date:2015-06-29
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanism of phospho-ubiquitin-induced PARKIN activation.
Nature, 524, 2015
6SCV
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BU of 6scv by Molmil
Endothiapepsin in complex with ligand 69
Descriptor: Endothiapepsin, GLYCEROL, [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane
Authors:Magari, F, Heine, A, Klebe, G.
Deposit date:2019-07-25
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Endothiapepsin in complex with ligand 69
To Be Published
6X2M
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BU of 6x2m by Molmil
Crystal Structure of unliganded CRM1-Ran-RanBP1
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020

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