8AHC
 
 | | Crystal structure of the BRD9 bromodomain with BI-7189 | | Descriptor: | Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium | | Authors: | Bader, G, Boettcher, J, Weiss-Puxbaum, A. | | Deposit date: | 2022-07-21 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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8P0F
 | | Crystal structure of the VCB complex with compound 1. | | Descriptor: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ... | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2023-05-10 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders
Chemrxiv, 2023
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7Z77
 | | Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2022-03-15 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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2QMT
 | | Crystal Polymorphism of Protein GB1 Examined by Solid-state NMR and X-ray Diffraction | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ISOPROPYL ALCOHOL, Immunoglobulin G-binding protein G, ... | | Authors: | Frericks Schmidt, H.L, Sperling, L.J, Gao, Y.G, Wylie, B.J, Boettcher, J.M, Wilson, S.R, Rienstra, C.M. | | Deposit date: | 2007-07-16 | | Release date: | 2007-12-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Crystal Polymorphism of Protein GB1 Examined by Solid-State NMR Spectroscopy and X-ray Diffraction.
J.Phys.Chem.B, 111, 2007
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6ZL3
 | | CRYSTAL STRUCTURE OF HRAS IN COMPLEX WITH COMPOUND 18 and GDP | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-30 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6ZJ0
 | | CRYSTAL STRUCTURE OF HRAS-G12D IN COMPLEX WITH GCP AND COMPOUND 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-26 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.763 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6ZIR
 | | CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-26 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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8R07
 | | C-terminal Rel-homology Domain of NFAT1 | | Descriptor: | Nuclear factor of activated T-cells, cytoplasmic 2 | | Authors: | Zak, K.M, Boettcher, J. | | Deposit date: | 2023-10-30 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Ligandability assessment of the C-terminal Rel-homology domain of NFAT1.
Arch Pharm, 357, 2024
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8R3F
 | | C-terminal Rel-homology Domain of NFAT1 | | Descriptor: | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine, Nuclear factor of activated T-cells, cytoplasmic 2 | | Authors: | Zak, K.M, Boettcher, J. | | Deposit date: | 2023-11-08 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Ligandability assessment of the C-terminal Rel-homology domain of NFAT1.
Arch Pharm, 357, 2024
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8R7O
 | | HUWE1 WWE domain in complex with 2'F-ATP | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, SODIUM ION, ... | | Authors: | Muenzker, L, Boettcher, J. | | Deposit date: | 2023-11-27 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
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8RD1
 | | HUWE1 WWE domain in complex with compound 4 | | Descriptor: | 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | | Deposit date: | 2023-12-07 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
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8RD0
 | | HUWE1 WWE domain in complex with compound 3 | | Descriptor: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | | Authors: | Muenzker, L, Boettcher, J. | | Deposit date: | 2023-12-07 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
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8R5N
 | | DTX1 WWE domain in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase DTX1 | | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | | Deposit date: | 2023-11-17 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.812 Å) | | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
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8R6A
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3ZC6
 | | Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ... | | Authors: | Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M. | | Deposit date: | 2012-11-16 | | Release date: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome.
Bioorg.Med.Chem.Lett., 23, 2013
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8RD7
 | | HUWE1 WWE domain in complex with ADP-ribose | | Descriptor: | ACETATE ION, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, ... | | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | | Deposit date: | 2023-12-07 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases.
Commun Biol, 7, 2024
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8R6B
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6ZIO
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6ZIZ
 | | CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-26 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6ZLI
 | | CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | | Descriptor: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-30 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6ZL5
 | | CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP | | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-30 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.645 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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5C7X
 | | Crystal structure of MOR04357, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, ... | | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | | Deposit date: | 2015-06-25 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
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5D70
 | | Crystal structure of MOR03929, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | | Descriptor: | Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, heavy chain, ... | | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | | Deposit date: | 2015-08-13 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
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5D7S
 | | Crystal structure of MOR04357, a neutralizing anti-human GM-CSF antibody Fab fragment | | Descriptor: | (2S,3S)-butane-2,3-diol, Immunglobulin G1 Fab fragment, heavy chain, ... | | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | | Deposit date: | 2015-08-14 | | Release date: | 2015-10-14 | | Last modified: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
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5D71
 | | Crystal structure of MOR04302, a neutralizing anti-human GM-CSF antibody Fab fragment in complex with human GM-CSF | | Descriptor: | DI(HYDROXYETHYL)ETHER, Granulocyte-macrophage colony-stimulating factor, Immunglobulin G1 Fab fragment, ... | | Authors: | Eylenstein, R, Weinfurtner, D, Steidl, S, Boettcher, J, Augustin, M. | | Deposit date: | 2015-08-13 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody.
Mabs, 8, 2016
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