8ENW
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2MRM
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8SZX
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8Z5J
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![BU of 8z5j by Molmil](/molmil-images/mine/8z5j) | Beta-catenin Crystal Structure | Descriptor: | Catenin beta-1 | Authors: | Tim, F. | Deposit date: | 2024-04-18 | Release date: | 2024-05-22 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells. J.Med.Chem., 67, 2024
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8Z61
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![BU of 8z61 by Molmil](/molmil-images/mine/8z61) | Human beta-catenin crystal structure | Descriptor: | Catenin beta-1 | Authors: | Tim, F. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells. J.Med.Chem., 67, 2024
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4XAI
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![BU of 4xai by Molmil](/molmil-images/mine/4xai) | Crystal Structure of red flour beetle NR2E1/TLX | Descriptor: | Grunge, isoform J, Maltose-binding periplasmic protein,Tailless ortholog, ... | Authors: | Zhi, X, Zhou, E, Xu, E. | Deposit date: | 2014-12-14 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for corepressor assembly by the orphan nuclear receptor TLX. Genes Dev., 29, 2015
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4XAJ
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![BU of 4xaj by Molmil](/molmil-images/mine/4xaj) | Crystal structure of human NR2E1/TLX | Descriptor: | Atrophin/grunge, Maltose-binding periplasmic protein,Nuclear receptor subfamily 2 group E member 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Zhi, X, Zhou, E, Xu, E. | Deposit date: | 2014-12-14 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.551 Å) | Cite: | Structural basis for corepressor assembly by the orphan nuclear receptor TLX. Genes Dev., 29, 2015
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5TTO
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![BU of 5tto by Molmil](/molmil-images/mine/5tto) | X-ray crystal structure of PPARgamma in complex with SR1643 | Descriptor: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma | Authors: | Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A. | Deposit date: | 2016-11-04 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics. J. Med. Chem., 60, 2017
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6LIT
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![BU of 6lit by Molmil](/molmil-images/mine/6lit) | Estrogen-related receptor beta(ERR2) in complex with BPA | Descriptor: | 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-12-13 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta. J.Mol.Biol., 432, 2020
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6LN4
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![BU of 6ln4 by Molmil](/molmil-images/mine/6ln4) | Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a | Descriptor: | 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-12-28 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta. J.Mol.Biol., 432, 2020
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7KJS
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![BU of 7kjs by Molmil](/molmil-images/mine/7kjs) | Crystal structure of CDK2/cyclin E in complex with PF-06873600 | Descriptor: | 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | McTigue, M.A, He, Y, Ferre, R.A. | Deposit date: | 2020-10-26 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer. J.Med.Chem., 64, 2021
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4MQ1
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![BU of 4mq1 by Molmil](/molmil-images/mine/4mq1) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | Deposit date: | 2013-09-15 | Release date: | 2013-12-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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6Z4Q
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![BU of 6z4q by Molmil](/molmil-images/mine/6z4q) | Crystal structure of the neurotensin receptor 1 in complex with the small-molecule inverse agonist SR142948A | Descriptor: | 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-05-25 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.923 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6ZIN
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![BU of 6zin by Molmil](/molmil-images/mine/6zin) | Crystal structure of the neurotensin receptor 1 in complex with the small molecule inverse agonist SR48692 | Descriptor: | 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-06-26 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.639 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6Z8N
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![BU of 6z8n by Molmil](/molmil-images/mine/6z8n) | Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist SRI-9829 | Descriptor: | (2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1) | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-06-02 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6YVR
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![BU of 6yvr by Molmil](/molmil-images/mine/6yvr) | Crystal structure of the neurotensin receptor 1 in complex with the peptide full agonist NTS8-13 | Descriptor: | Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin crystallisation chaperone, neurotensin NTS8-13 (full agonist), nonyl beta-D-glucopyranoside | Authors: | Deluigi, M, Merklinger, L, Hilge, M, Ernst, P, Klipp, A, Klenk, C, Plueckthun, A. | Deposit date: | 2020-04-28 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.458 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6Z4S
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![BU of 6z4s by Molmil](/molmil-images/mine/6z4s) | Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with the small molecule inverse agonist SR48692 | Descriptor: | 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-05-25 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.707 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6Z66
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![BU of 6z66 by Molmil](/molmil-images/mine/6z66) | Crystal structure of apo-state neurotensin receptor 1 | Descriptor: | Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-05-27 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.192 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6ZA8
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![BU of 6za8 by Molmil](/molmil-images/mine/6za8) | Crystal structure of the neurotensin receptor 1 in complex with the small-molecule partial agonist RTI-3a | Descriptor: | (2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1),Neurotensin receptor type 1,Neurotensin receptor 1 (NTSR1),Neurotensin receptor 1 (NTSR1) | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-06-05 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6Z4V
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![BU of 6z4v by Molmil](/molmil-images/mine/6z4v) | Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with NTS8-13 | Descriptor: | ARG-PRO-TYR-ILE-LEU, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-05-25 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6YXM
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![BU of 6yxm by Molmil](/molmil-images/mine/6yxm) | Crystal structure of ACPA 1F2 in complex with CII-C-39-CIT | Descriptor: | ACPA 1F2 Fab fragment - heavy chain, ACPA 1F2 Fab fragment - light chain, CII-C-39-CIT, ... | Authors: | Ge, C, Holmdahl, R. | Deposit date: | 2020-05-03 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation. Sci Adv, 8, 2022
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6YXK
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![BU of 6yxk by Molmil](/molmil-images/mine/6yxk) | Crystal structure of ACPA 3F3 in complex with cit-vimentin 59-74 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACPA 3F3 Fab fragment - heavy chain, ACPA 3F3 Fab fragment - light chain, ... | Authors: | Ge, C, Holmdahl, R. | Deposit date: | 2020-05-03 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation. Sci Adv, 8, 2022
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6YXL
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![BU of 6yxl by Molmil](/molmil-images/mine/6yxl) | Crystal structure of ACPA F3 | Descriptor: | ACPA F3 Fab fragment - heavy chain, ACPA F3 Fab fragment - light chain, GLYCEROL, ... | Authors: | Ge, C, Holmdahl, R. | Deposit date: | 2020-05-03 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Surface Ig variable domain glycosylation affects autoantigen binding and acts as threshold for human autoreactive B cell activation. Sci Adv, 8, 2022
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6LRD
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![BU of 6lrd by Molmil](/molmil-images/mine/6lrd) | Structure of RecJ complexed with a 5'-P-dSpacer-modified ssDNA | Descriptor: | ASP-LEU-PRO-PHE, DNA (5'-D(P*(3DR)P*TP*TP*TP*TP*T)-3'), MANGANESE (II) ION, ... | Authors: | Cheng, K, Hua, Y. | Deposit date: | 2020-01-16 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.901335 Å) | Cite: | Participation of RecJ in the base excision repair pathway of Deinococcus radiodurans. Nucleic Acids Res., 48, 2020
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4MQ2
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![BU of 4mq2 by Molmil](/molmil-images/mine/4mq2) | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | Deposit date: | 2013-09-15 | Release date: | 2013-12-11 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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