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4TK3
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BU of 4tk3 by Molmil
Geph E in complex with a GABA receptor alpha3 derived double mutant peptide in spacegroup P21212
Descriptor: Gamma-aminobutyric acid receptor subunit alpha-3, Gephyrin
Authors:Kasaragod, V.B, Maric, H.M, Schindelin, H.
Deposit date:2014-05-25
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of the alternative recruitment of GABAA versus glycine receptors through gephyrin.
Nat Commun, 5, 2014
4U90
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BU of 4u90 by Molmil
GephE in complex with PEG crosslinked GABA receptor alpha3 subunit derived dimeric peptide
Descriptor: 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione), 1,4-BUTANEDIOL, Gamma-aminobutyric acid receptor subunit alpha-3, ...
Authors:Kasaragod, V.B, Maric, H.M, Schindelin, H.
Deposit date:2014-08-05
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors.
Angew.Chem.Int.Ed.Engl., 54, 2015
4U91
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BU of 4u91 by Molmil
GephE in complex with Para-Phenyl crosslinked Glycine receptor beta subunit derived dimeric peptide
Descriptor: 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione), 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Kasaragod, V.B, Maric, H.M, Schindelin, H.
Deposit date:2014-08-05
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors.
Angew.Chem.Int.Ed.Engl., 54, 2015
7ZH9
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BU of 7zh9 by Molmil
Uba1 in complex with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Misra, M, Schindelin, H.
Deposit date:2022-04-05
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structures of UBA6 explain its dual specificity for ubiquitin and FAT10.
Nat Commun, 13, 2022
8A1I
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BU of 8a1i by Molmil
Crystal structure of murine Armc8 isoform beta
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:van gen Hassend, P.M, Schindelin, H.
Deposit date:2022-06-01
Release date:2023-04-12
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:RanBP9 controls the oligomeric state of CTLH complex assemblies.
J.Biol.Chem., 299, 2023
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:2024-10-09
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
1ED0
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BU of 1ed0 by Molmil
NMR structural determination of viscotoxin A3 from Viscum album L.
Descriptor: VISCOTOXIN A3
Authors:Romagnoli, S, Ugolini, R, Fogolari, F, Schaller, G, Urech, K, Giannattasio, M, Ragona, L, Molinari, H.
Deposit date:2000-01-26
Release date:2000-02-04
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:NMR structural determination of viscotoxin A3 from Viscum album L.
Biochem.J., 350, 2000
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
7ZTL
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BU of 7ztl by Molmil
Crystal structure of a covalently linked Aurora-A N-Myc complex
Descriptor: 4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Diebold, M, Schindelin, H.
Deposit date:2022-05-11
Release date:2023-01-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a covalently linked Aurora-A-MYCN complex.
Acta Crystallogr D Struct Biol, 79, 2023
6YK0
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BU of 6yk0 by Molmil
Crystal structure of mouse pyridoxal kinase in complex with ATP-gamma-S
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Kasaragod, V.B, Schindelin, H.
Deposit date:2020-04-05
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pyridoxal kinase inhibition by artemisinins down-regulates inhibitory neurotransmission.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YJZ
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BU of 6yjz by Molmil
Crystal structure of mouse pyridoxal kinase in apo form
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Pyridoxal Kinase, ...
Authors:Kasaragod, V.B, Schindelin, H.
Deposit date:2020-04-05
Release date:2021-04-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Pyridoxal kinase inhibition by artemisinins down-regulates inhibitory neurotransmission.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YK1
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BU of 6yk1 by Molmil
Crystal structure of mouse pyridoxal kinase in complex with ATP-gamma-S and artesunate
Descriptor: 1,2-ETHANEDIOL, Artesunate, GLYCEROL, ...
Authors:Kasaragod, V.B, Schindelin, H.
Deposit date:2020-04-05
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pyridoxal kinase inhibition by artemisinins down-regulates inhibitory neurotransmission.
Proc.Natl.Acad.Sci.USA, 117, 2020
4U6P
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BU of 4u6p by Molmil
Structural mechanism of error-free bypass of major benzo[a]pyrene adduct by human polymerase kappa
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*TP*AP*TP*GP*GP*TP*GP*AP*TP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*AP*TP*CP*AP*C)-3'), ...
Authors:Jha, V.K, Ling, H.
Deposit date:2014-07-29
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:Structure and mechanism of error-free replication past the major benzo[a]pyrene adduct by human DNA polymerase kappa.
Nucleic Acids Res., 44, 2016
4U7C
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BU of 4u7c by Molmil
Structure of DNA polymerase kappa in complex with benzopyrene adducted DNA
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DI(HYDROXYETHYL)ETHER, ...
Authors:Jha, V.K, Ling, H.
Deposit date:2014-07-30
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and mechanism of error-free replication past the major benzo[a]pyrene adduct by human DNA polymerase kappa.
Nucleic Acids Res., 44, 2016
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
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
5YPP
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BU of 5ypp by Molmil
Crystal structure of IlvN.Val-1a
Descriptor: ACETATE ION, Acetolactate synthase isozyme 1 small subunit, DI(HYDROXYETHYL)ETHER, ...
Authors:Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
Deposit date:2017-11-02
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
5YPW
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BU of 5ypw by Molmil
Crystal structure of IlvN.Val-1b
Descriptor: Acetolactate synthase isozyme 1 small subunit, VALINE
Authors:Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
Deposit date:2017-11-03
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
8FXT
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BU of 8fxt by Molmil
Escherichia coli periplasmic Glucose-Binding Protein glucose complex: Acrylodan conjugate attached at W183C
Descriptor: 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one, CALCIUM ION, D-galactose/methyl-galactoside binding periplasmic protein MglB, ...
Authors:Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W.
Deposit date:2023-01-25
Release date:2023-08-30
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
8FXU
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BU of 8fxu by Molmil
Thermoanaerobacter thermosaccharolyticum periplasmic Glucose-Binding Protein glucose complex: Badan conjugate attached at F17C
Descriptor: 2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one, CALCIUM ION, CHLORIDE ION, ...
Authors:Allert, M.J, Kumar, S, Beese, L.S, Hellinga, H.W.
Deposit date:2023-01-25
Release date:2023-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
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
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
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
5YPY
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BU of 5ypy by Molmil
Crystal structure of IlvN. Val-1c
Descriptor: Acetolactate synthase isozyme 1 small subunit, VALINE
Authors:Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
Deposit date:2017-11-04
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
5YUM
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BU of 5yum by Molmil
Crystallographic structures of IlvN.Val/Ile complexes:Conformational selectivity for feedback inhibition of AHASs
Descriptor: Acetolactate synthase isozyme 1 small subunit, COBALT (II) ION, ISOLEUCINE
Authors:Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
Deposit date:2017-11-22
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.432 Å)
Cite:Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019

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