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6GJO
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BU of 6gjo by Molmil
Crystal Structure of Glycogen Synthase Kinase-3 beta in Complex with BI-91BS
Descriptor: (3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one, Glycogen synthase kinase-3 beta
Authors:Hoerer, S.
Deposit date:2018-05-16
Release date:2019-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:CRYSTAL STRUCTURE OF Glycogen synthase kinase-3 beta IN COMPLEX WITH BI-91BS
To Be Published
1UPV
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BU of 1upv by Molmil
Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA
Authors:Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H.
Deposit date:2003-10-13
Release date:2004-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist
J.Mol.Biol., 334, 2003
1UPW
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BU of 1upw by Molmil
Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA
Authors:Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H.
Deposit date:2003-10-13
Release date:2004-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist
J.Mol.Biol., 334, 2003
6H8R
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BU of 6h8r by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2
Descriptor: 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
Authors:Hoerer, S, Fiegen, D, Schnapp, G.
Deposit date:2018-08-03
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
5OHI
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BU of 5ohi by Molmil
Crystal structure of autotaxin in complex with BI-2545
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, CALCIUM ION, ...
Authors:Hoerer, S.
Deposit date:2017-07-17
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
ACS Med Chem Lett, 8, 2017
5OLB
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BU of 5olb by Molmil
crystal structure of autotaxin in complex with PF-8380
Descriptor: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Hoerer, S, Lammens, A.
Deposit date:2017-07-27
Release date:2018-01-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
ACS Med Chem Lett, 8, 2017
2X7O
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BU of 2x7o by Molmil
Crystal structure of TGFbRI complexed with an indolinone inhibitor
Descriptor: (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I
Authors:Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E.
Deposit date:2010-03-03
Release date:2010-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri)
J.Med.Chem., 53, 2010
6GFE
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BU of 6gfe by Molmil
High-resolution Structure of a therapeutic full-length anti-NPRA Antibody with exceptional Conformational Diversity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Hoerer, S.
Deposit date:2018-04-30
Release date:2019-05-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a Therapeutic Full-Length Anti-NPRA IgG4 Antibody: Dissecting Conformational Diversity.
Biophys.J., 116, 2019
5MO9
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BU of 5mo9 by Molmil
Structure of human TrkB receptor ligand binding domain in complex with the Fab frgment of antibody AB20
Descriptor: AB20 Fab heavy chain, AB20 Fab light chain, BDNF/NT-3 growth factors receptor
Authors:Hoerer, S.
Deposit date:2016-12-14
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Pharmaceutical Characterization of Tropomyosin Receptor Kinase B-Agonistic Antibodies on Human Induced Pluripotent Stem (hiPS) Cell-Derived Neurons.
J. Pharmacol. Exp. Ther., 361, 2017
3ZGC
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BU of 3zgc by Molmil
crystal structure of the KEAP1-NEH2 complex
Descriptor: ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, NUCLEAR FACTOR ERYTHROID 2-RELATED FACTOR 2
Authors:Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H.
Deposit date:2012-12-17
Release date:2013-06-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments.
Acta Crystallogr.,Sect.F, 69, 2013
3ZGD
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BU of 3zgd by Molmil
crystal structure of a KEAP1 mutant
Descriptor: ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SODIUM ION
Authors:Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H.
Deposit date:2012-12-17
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments.
Acta Crystallogr.,Sect.F, 69, 2013
6H8S
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BU of 6h8s by Molmil
CRYSTAL STRUCTURE OF THE MOUSE PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND BI-0314
Descriptor: 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine, Tyrosine-protein phosphatase non-receptor type 5
Authors:Fiegen, D, Schnapp, G.
Deposit date:2018-08-03
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
7VSI
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BU of 7vsi by Molmil
Structure of human SGLT2-MAP17 complex bound with empagliflozin
Descriptor: (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, PALMITIC ACID, PDZK1-interacting protein 1, ...
Authors:Chen, L, Niu, Y, Liu, R.
Deposit date:2021-10-26
Release date:2021-12-15
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis of inhibition of the human SGLT2-MAP17 glucose transporter.
Nature, 601, 2022
4G5Z
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BU of 4g5z by Molmil
Crystal structure of the therapeutical antibody fragment of canakinumab in its unbound state
Descriptor: canakinumab antibody fragment heavy chain, canakinumab antibody fragment light chain
Authors:Blech, M, Hoerer, S.
Deposit date:2012-07-18
Release date:2012-12-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:One target-two different binding modes: Structural insights into gevokizumab and canakinumab interactions to interleukin-1beta
J.Mol.Biol., 425, 2013
4G6M
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BU of 4g6m by Molmil
Crystal structure of human IL-1beta in complex with therapeutic antibody binding fragment of gevokizumab
Descriptor: Interleukin-1 beta, heavy chain of gevokizumab antibody binding fragment, light chain of gevokizumab antibody binding fragment
Authors:Blech, M, Hoerer, S.
Deposit date:2012-07-19
Release date:2012-12-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of human IL-1beta in complex with therapeutic antibody binding fragment of gevokizumab
J.Mol.Biol., 425, 2013
4G6K
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BU of 4g6k by Molmil
Crystal structure of the therapeutic antibody binding fragment of gevokizumab in its unbound state
Descriptor: heavy chain of gevokizumab antibody binding fragment, light chain of gevokizumab antibody binding fragment
Authors:Blech, M, Hoerer, S.
Deposit date:2012-07-19
Release date:2012-12-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:One target-two different binding modes: Structural insights into gevokizumab and canakinumab interactions to interleukin-1beta
J.Mol.Biol., 425, 2013
4G6J
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BU of 4g6j by Molmil
Crystal structure of human IL-1beta in complex with the therapeutic antibody binding fragment of canakinumab
Descriptor: Interleukin-1 beta, heavy chain of antibody binding fragment of canakinumab, light chain of antibody binding fragment of canakinumab
Authors:Blech, M, Hoerer, S.
Deposit date:2012-07-19
Release date:2012-12-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:One traget-two different binding modes: Structural insights into gevokizumab and canakinumab interactions to interleukin-1beta
J.Mol.Biol., 425, 2013

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