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6ZJC
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BU of 6zjc by Molmil
Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione and triethyltin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase, ...
Authors:Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P.
Deposit date:2020-06-28
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Environ Pollut, 268, 2021
5L6H
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BU of 5l6h by Molmil
Uba1 in complex with Ub-ABPA3 covalent adduct
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Misra, M, Schindelin, H.
Deposit date:2016-05-30
Release date:2017-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme.
Structure, 25, 2017
5L6I
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BU of 5l6i by Molmil
Uba1 in complex with Ub-MLN4924 covalent adduct
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Misra, M, Schindelin, H.
Deposit date:2016-05-30
Release date:2017-06-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme.
Structure, 25, 2017
5L6J
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BU of 5l6j by Molmil
Uba1 in complex with Ub-MLN7243 covalent adduct
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Misra, M, Schindelin, H.
Deposit date:2016-05-30
Release date:2017-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme.
Structure, 25, 2017
6ENT
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BU of 6ent by Molmil
Structure of the rat RKIP variant delta143-146
Descriptor: CHLORIDE ION, Phosphatidylethanolamine-binding protein 1, ZINC ION
Authors:Koelmel, W, Hirschbeck, M, Schindelin, H, Lorenz, K, Kisker, C.
Deposit date:2017-10-06
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6ENS
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BU of 6ens by Molmil
Structure of mouse wild-type RKIP
Descriptor: ACETATE ION, GLYCEROL, Phosphatidylethanolamine-binding protein 1
Authors:Hirschbeck, M, Koelmel, W, Schindelin, H, Lorenz, K, Kisker, C.
Deposit date:2017-10-06
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6FGC
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BU of 6fgc by Molmil
Crystal structure of Gephyrin E domain in complex with Artesunate
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Kasaragod, V.B, Schindelin, H.
Deposit date:2018-01-10
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins.
Neuron, 101, 2019
6FGD
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BU of 6fgd by Molmil
Crystal structure of Gephyrin E domain in complex with Artemether
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Kasaragod, V.B, Schindelin, H.
Deposit date:2018-01-10
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins.
Neuron, 101, 2019
6GXY
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BU of 6gxy by Molmil
Tryparedoxin from Trypanosoma brucei in complex with CFT
Descriptor: 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, Tryparedoxin
Authors:Bader, N, Wagner, A, Hellmich, U, Schindelin, H.
Deposit date:2018-06-27
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes.
Angew. Chem. Int. Ed. Engl., 58, 2019
5L6P
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BU of 5l6p by Molmil
EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6)
Descriptor: 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide
Authors:Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C.
Deposit date:2016-05-30
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
5L6O
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BU of 5l6o by Molmil
EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3)
Descriptor: 1,4-DIETHYLENE DIOXIDE, 1-(4-phenylazanylquinazolin-7-yl)ethanone, Ephrin type-B receptor 3
Authors:Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C.
Deposit date:2016-05-30
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
7PYV
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BU of 7pyv by Molmil
Crystal structure of human UBA6 in complex with the ubiquitin-like modifier FAT10
Descriptor: UBD, Ubiquitin-like modifier-activating enzyme 6,Ubiquitin-like modifier-activating enzyme 1,Ubiquitin-like modifier-activating enzyme 6
Authors:Li, S, Truongvan, N, Schindelin, H.
Deposit date:2021-10-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Structures of UBA6 explain its dual specificity for ubiquitin and FAT10.
Nat Commun, 13, 2022
7PVN
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BU of 7pvn by Molmil
Crystal Structure of Human UBA6 in Complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Truongvan, N, Li, S, Schindelin, H.
Deposit date:2021-10-05
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structures of UBA6 explain its dual specificity for ubiquitin and FAT10.
Nat Commun, 13, 2022
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bothe, S, Schindelin, H.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7PO7
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BU of 7po7 by Molmil
Phosphoglycolate phosphatase from Mus musculus
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Schloetzer, J, Schindelin, H, Fratz, S.
Deposit date:2021-09-08
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of a small-molecule inhibitor of the metabolic damage control enzyme phosphoglycolate phosphatase
To Be Published
7POE
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BU of 7poe by Molmil
Phosphoglycolate Phosphatase with Inhibitor CP1
Descriptor: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid, GLYCEROL, Glycerol-3-phosphate phosphatase, ...
Authors:Schloetzer, J, Fratz, S, Schindelin, H.
Deposit date:2021-09-08
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Phosphoglycolate phosphatase with inhibitor
To Be Published
6HRS
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BU of 6hrs by Molmil
Structure of the TRPML2 ELD at pH 4.5
Descriptor: GLYCEROL, Mucolipin-2
Authors:Bader, N, Viet, K.K, Wagner, A, Hellmich, U.A, Schindelin, H.
Deposit date:2018-09-28
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the Human TRPML2 Ion Channel Extracytosolic/Lumenal Domain.
Structure, 27, 2019
6HSN
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BU of 6hsn by Molmil
Crystal structure of the ternary complex of GephE-ADP-GABA(A) receptor derived peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione), ACETATE ION, ...
Authors:Kasaragod, V.B, Schindelin, H.
Deposit date:2018-10-01
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins.
Neuron, 101, 2019
6I0Q
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BU of 6i0q by Molmil
Crystal structure of BTB domain of KCTD16 hexamer
Descriptor: BTB/POZ domain-containing protein KCTD16
Authors:Kasaragod, V.B, Sereikaite, V, Stromgaard, K, Schindelin, H.
Deposit date:2018-10-26
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Targeting the gamma-Aminobutyric Acid Type B (GABAB) Receptor Complex: Development of Inhibitors Targeting the K+Channel Tetramerization Domain (KCTD) Containing Proteins/GABABReceptor Protein-Protein Interaction.
J.Med.Chem., 62, 2019
3M63
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BU of 3m63 by Molmil
Crystal structure of Ufd2 in complex with the ubiquitin-like (UBL) domain of Dsk2
Descriptor: PENTAETHYLENE GLYCOL, POTASSIUM ION, Ubiquitin conjugation factor E4, ...
Authors:Haenzelmann, P, Schindelin, H.
Deposit date:2010-03-15
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The yeast E4 ubiquitin ligase Ufd2 interacts with the ubiquitin-like domains of Rad23 and Dsk2 via a novel and distinct ubiquitin-like binding domain.
J.Biol.Chem., 285, 2010
3M9M
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BU of 3m9m by Molmil
Crystal Structure of Dpo4 in complex with DNA containing the major cisplatin lesion
Descriptor: CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, Cisplatin, ...
Authors:Wong, J.H.Y, Ling, H.
Deposit date:2010-03-22
Release date:2010-06-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insight into dynamic bypass of the major cisplatin-DNA adduct by Y-family polymerase Dpo4.
Embo J., 29, 2010
6GXG
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BU of 6gxg by Molmil
Tryparedoxin from Trypanosoma brucei in complex with CFT
Descriptor: 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Tryparedoxin
Authors:Bader, N, Wagner, A, Hellmich, U, Schindelin, H.
Deposit date:2018-06-27
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes.
Angew. Chem. Int. Ed. Engl., 58, 2019
3M62
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BU of 3m62 by Molmil
Crystal structure of Ufd2 in complex with the ubiquitin-like (UBL) domain of Rad23
Descriptor: PENTAETHYLENE GLYCOL, POTASSIUM ION, UV excision repair protein RAD23, ...
Authors:Haenzelmann, P, Schindelin, H.
Deposit date:2010-03-15
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The yeast E4 ubiquitin ligase Ufd2 interacts with the ubiquitin-like domains of Rad23 and Dsk2 via a novel and distinct ubiquitin-like binding domain.
J.Biol.Chem., 285, 2010
6HSO
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BU of 6hso by Molmil
Crystal structure of the ternary complex of GephE-ADP-Glycine receptor derived peptide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione), ACETATE ION, ...
Authors:Kasaragod, V.B, Schindelin, H.
Deposit date:2018-10-01
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins.
Neuron, 101, 2019
3M9N
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BU of 3m9n by Molmil
Crystal Structure of Dpo4 in complex with DNA containing the major cisplatin lesion
Descriptor: CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, Cisplatin, ...
Authors:Wong, J.H.Y, Ling, H.
Deposit date:2010-03-22
Release date:2010-06-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural insight into dynamic bypass of the major cisplatin-DNA adduct by Y-family polymerase Dpo4.
Embo J., 29, 2010

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