1B2G
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6WWB
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![BU of 6wwb by Molmil](/molmil-images/mine/6wwb) | Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b | Descriptor: | 1,2-ETHANEDIOL, 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide, Bromodomain-containing protein 2 | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-05-08 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs. Angew.Chem.Int.Ed.Engl., 60, 2021
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5HPL
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5HYW
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![BU of 5hyw by Molmil](/molmil-images/mine/5hyw) | The crystal structure of the D3-ASK1 complex | Descriptor: | F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A | Authors: | Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X. | Deposit date: | 2016-02-02 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | DWARF14 is a non-canonical hormone receptor for strigolactone Nature, 536, 2016
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1B2A
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1B18
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5HJS
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![BU of 5hjs by Molmil](/molmil-images/mine/5hjs) | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | Authors: | Parthasarathy, G, Klein, D. | Deposit date: | 2016-01-13 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease. J.Med.Chem., 59, 2016
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1AHT
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6XER
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![BU of 6xer by Molmil](/molmil-images/mine/6xer) | Tubulin-RB3_SLD in complex with colchicine | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-06-13 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents. J.Med.Chem., 64, 2021
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6XET
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![BU of 6xet by Molmil](/molmil-images/mine/6xet) | Tubulin-RB3_SLD in complex with compound 60c | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-06-13 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents. J.Med.Chem., 64, 2021
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6XES
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![BU of 6xes by Molmil](/molmil-images/mine/6xes) | Tubulin-RB3_SLD in complex with compound 40a | Descriptor: | DIMETHYL SULFOXIDE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-06-13 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents. J.Med.Chem., 64, 2021
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5HJP
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![BU of 5hjp by Molmil](/molmil-images/mine/5hjp) | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ... | Authors: | Parthasarathy, G, Klein, D. | Deposit date: | 2016-01-13 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease. J.Med.Chem., 59, 2016
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5HPS
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7VQQ
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7V63
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![BU of 7v63 by Molmil](/molmil-images/mine/7v63) | Structure of dimeric uPAR at low pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor | Authors: | Yuan, C, Huang, M. | Deposit date: | 2021-08-19 | Release date: | 2021-12-22 | Last modified: | 2022-04-06 | Method: | X-RAY DIFFRACTION (2.906 Å) | Cite: | Crystal structure and cellular functions of uPAR dimer Nat Commun, 13, 2022
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1TRH
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5GPK
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![BU of 5gpk by Molmil](/molmil-images/mine/5gpk) | Crystal structure of Ccp1 mutant | Descriptor: | Putative nucleosome assembly protein C36B7.08c | Authors: | Yin, F, Gao, F, Chen, Y. | Deposit date: | 2016-08-03 | Release date: | 2016-11-30 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading Mol.Cell, 64, 2016
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5GPL
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![BU of 5gpl by Molmil](/molmil-images/mine/5gpl) | Crystal structure of Ccp1 | Descriptor: | Putative nucleosome assembly protein C36B7.08c | Authors: | Yin, F, Gao, F, Chen, Y. | Deposit date: | 2016-08-03 | Release date: | 2016-11-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading Mol.Cell, 64, 2016
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4J3J
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![BU of 4j3j by Molmil](/molmil-images/mine/4j3j) | Crystal Structure of DPP-IV with Compound C3 | Descriptor: | Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide | Authors: | Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. | Deposit date: | 2013-02-05 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors Chemmedchem, 8, 2013
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5KU3
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![BU of 5ku3 by Molmil](/molmil-images/mine/5ku3) | BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ... | Authors: | Murray, J.M, Huang, W. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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6WJL
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![BU of 6wjl by Molmil](/molmil-images/mine/6wjl) | Crystal structure of Glypican-2 core protein in complex with D3 Fab | Descriptor: | D3 Fab Heavy chain, D3 Fab Light Chain, Glypican-2, ... | Authors: | Raman, S, Maris, J.M, Bosse, K.R, Julien, J.P. | Deposit date: | 2020-04-14 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A GPC2 antibody-drug conjugate is efficacious against neuroblastoma and small-cell lung cancer via binding a conformational epitope. Cell Rep Med, 2, 2021
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8XC4
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![BU of 8xc4 by Molmil](/molmil-images/mine/8xc4) | Nipah virus attachment glycoprotein head domain in complex with a broadly neutralizing antibody 1E5 | Descriptor: | 1E5-VH, 1E5-VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fan, P.F, Yu, C.M, Chen, W. | Deposit date: | 2023-12-08 | Release date: | 2024-01-24 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer. Nat Commun, 15, 2024
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5KTX
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![BU of 5ktx by Molmil](/molmil-images/mine/5ktx) | CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ... | Authors: | Murray, J.M, Noland, C. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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5KTW
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![BU of 5ktw by Molmil](/molmil-images/mine/5ktw) | CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) | Descriptor: | 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein | Authors: | Murray, J.M, Boenig, G. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.087 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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5KU9
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![BU of 5ku9 by Molmil](/molmil-images/mine/5ku9) | Crystal structure of MCL1 with compound 1 | Descriptor: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-07-13 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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