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5NUD
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BU of 5nud by Molmil
FIBROBLAST GROWTH FACTOR RECEPTOR 4 KINASE DOMAIN (449-753) IN COMPLEX WITH IRREVERSIBLE LIGAND CGA159527
Descriptor: 3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine, Fibroblast growth factor receptor 4
Authors:Zou, C.
Deposit date:2017-04-29
Release date:2018-04-04
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region.
Medchemcomm, 8, 2017
5NWZ
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BU of 5nwz by Molmil
FIBROBLAST GROWTH FACTOR RECEPTOR 4 KINASE DOMAIN (449-753) IN COMPLEX WITH IRREVERSIBLE LIGAND CGA159527
Descriptor: Fibroblast growth factor receptor 4, ~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide
Authors:Zou, C.
Deposit date:2017-05-09
Release date:2018-04-04
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region.
Medchemcomm, 8, 2017
5LQB
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BU of 5lqb by Molmil
Complex structure of human IL2 mutant, Proleukin, with Fab fragment of NARA1 antibody
Descriptor: Interleukin-2, anti-hIL2 FAB fragment heavy chain, anti-hIL2 FAB fragment light chain
Authors:Zou, C, Wirth, E.
Deposit date:2016-08-16
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improved cancer immunotherapy by a CD25-mimobody conferring selectivity to human interleukin-2.
Sci Transl Med, 8, 2016
6R5M
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BU of 6r5m by Molmil
Crystal structure of toxin MT9 from mamba venom
Descriptor: ACETYL GROUP, Dendroaspis polylepis MT9, GLYCEROL, ...
Authors:Stura, E.A, Tepshi, L, Ciolek, J, Triquigneaux, M, Zoukimian, C, De Waard, M, Beroud, R, Servent, D, Gilles, N, Legrand, P, Ciccone, L.
Deposit date:2019-03-25
Release date:2020-02-12
Last modified:2022-05-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MT9, a natural peptide from black mamba venom antagonizes the muscarinic type 2 receptor and reverses the M2R-agonist-induced relaxation in rat and human arteries
Biomed Pharmacother, 150, 2022
6GGZ
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BU of 6ggz by Molmil
NMR structure of the scorpion toxin AmmTx3
Descriptor: Potassium channel toxin alpha-KTx 15.3
Authors:Landon, C, Meudal, H.
Deposit date:2018-05-04
Release date:2019-01-30
Last modified:2020-03-11
Method:SOLUTION NMR
Cite:Synthesis by native chemical ligation and characterization of the scorpion toxin AmmTx3.
Bioorg. Med. Chem., 27, 2019
6VJT
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BU of 6vjt by Molmil
Co-crystals of broadly neutralizing antibody with the linear epitope from Hepatitis B surface antigen
Descriptor: Heavy Chain Fab Fragment of Monoclonal Ab15, Light Chain Fab Fragment of Monoclonal antibody A15, antigenic region 139-148 of Hepatitis B surface antigen protein
Authors:Oren, D.A, Nussenzweig, M.C, Wang, Q.
Deposit date:2020-01-17
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:A Combination of Human Broadly Neutralizing Antibodies against Hepatitis B Virus HBsAg with Distinct Epitopes Suppresses Escape Mutations.
Cell Host Microbe, 28, 2020
6XMX
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BU of 6xmx by Molmil
Cryo-EM structure of BCL6 bound to BI-3802
Descriptor: 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein
Authors:Yoon, H, Burman, S.S.R, Hunkeler, M, Nowak, R.P, Fischer, E.S.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Small-molecule-induced polymerization triggers degradation of BCL6.
Nature, 588, 2020
6YI8
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BU of 6yi8 by Molmil
HUMAN FGFR4 KINASE DOMAIN (447-753) IN COMPLEX WITH ROBLITINIB
Descriptor: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION
Authors:Ostermann, N.
Deposit date:2020-04-01
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4.
J.Med.Chem., 63, 2020
5NH3
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BU of 5nh3 by Molmil
CRYSTAL STRUCTURE OF THE Activin receptor type-2A LIGAND BINDING DOMAIN IN COMPLEX WITH BIMAGRUMAB FV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2A, ...
Authors:Scheufler, C.
Deposit date:2017-03-21
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NGV
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BU of 5ngv by Molmil
CRYSTAL STRUCTURE OF THE Activin receptor type-2B LIGAND BINDING DOMAIN IN COMPLEX WITH BIMAGRUMAB FV, ORTHORHOMBIC CRYSTAL FORM
Descriptor: Activin receptor type-2B, TETRAETHYLENE GLYCOL, anti-human ActRIIB mAb BYM338 heavy-chain, ...
Authors:Rondeau, J.-M, Lehmann, S.
Deposit date:2017-03-20
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NHW
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BU of 5nhw by Molmil
CRYSTAL STRUCTURE OF THE BIMAGRUMAB Fab
Descriptor: GLYCEROL, anti-human ActRII Bimagrumab Fab heavy-chain, anti-human ActRII Bimagrumab Fab light-chain
Authors:Rondeau, J.-M.
Deposit date:2017-03-22
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5NHR
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BU of 5nhr by Molmil
CRYSTAL STRUCTURE OF THE Activin receptor type-2B LIGAND BINDING DOMAIN IN COMPLEX WITH BIMAGRUMAB FV, CUBIC CRYSTAL FORM
Descriptor: Activin receptor type-2B, Bimagrumab Fv Light-Chain, Bimagrumab Fv heavy-chain
Authors:Rondeau, J.-M.
Deposit date:2017-03-22
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3KVM
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BU of 3kvm by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 951 at 2.00A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVL
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BU of 3kvl by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 715 at 1.85A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVJ
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BU of 3kvj by Molmil
Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVK
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BU of 3kvk by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 641 at 2.05A resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid, Dihydroorotate dehydrogenase, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
8G46
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BU of 8g46 by Molmil
Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2
Descriptor: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ...
Authors:Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S.
Deposit date:2023-02-08
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
8P83
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BU of 8p83 by Molmil
Cryo-EM structure of full-length human UBR5 (homotetramer)
Descriptor: E3 ubiquitin-protein ligase UBR5
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
8P82
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BU of 8p82 by Molmil
Cryo-EM structure of dimeric UBR5
Descriptor: E3 ubiquitin-protein ligase UBR5, ZINC ION
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
8RY2
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BU of 8ry2 by Molmil
Crystal Structure of ANV419, a novel IL-2/anti-IL-2 antibody fusion protein
Descriptor: ANV419 heavy-chain, ANV419 light-chain
Authors:Rondeau, J.M, Wirth, E.
Deposit date:2024-02-08
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and development of ANV419, an IL-2/anti-IL-2 antibody fusion protein with potent CD8+ T and natural killer cell-stimulating capacity for cancer immunotherapy.
Mabs, 16, 2024
8BUM
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BU of 8bum by Molmil
Structure of DDB1 bound to DS15-engaged CDK12-cyclin K
Descriptor: (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-20
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU7
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BU of 8bu7 by Molmil
Structure of DDB1 bound to 21195-engaged CDK12-cyclin K
Descriptor: 1,2-ETHANEDIOL, 1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUN
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BU of 8bun by Molmil
Structure of DDB1 bound to DS16-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU2
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BU of 8bu2 by Molmil
Structure of DDB1 bound to DS18-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUI
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BU of 8bui by Molmil
Structure of DDB1 bound to DRF-053-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol, 1,2-ETHANEDIOL, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024

 

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