7TVA
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![BU of 7tva by Molmil](/molmil-images/mine/7tva) | Stat5a Core in complex with AK2292 | Descriptor: | DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-02-04 | Release date: | 2023-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.835 Å) | Cite: | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo. Nat.Chem.Biol., 19, 2023
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7TVB
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![BU of 7tvb by Molmil](/molmil-images/mine/7tvb) | Stat5A Core in Complex with AK305 | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-02-04 | Release date: | 2023-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.653 Å) | Cite: | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo. Nat.Chem.Biol., 19, 2023
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7UC6
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![BU of 7uc6 by Molmil](/molmil-images/mine/7uc6) | Stat5a Core in complex with Compound 12 | Descriptor: | N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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7UBT
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![BU of 7ubt by Molmil](/molmil-images/mine/7ubt) | Stat5a Core in complex with Compound 18 | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-03-15 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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7UC7
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![BU of 7uc7 by Molmil](/molmil-images/mine/7uc7) | Stat5a Core in complex with Compound 17 | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide, Signal transducer and activator of transcription 5A | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2022-03-16 | Release date: | 2023-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia. J.Med.Chem., 66, 2023
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5TBM
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![BU of 5tbm by Molmil](/molmil-images/mine/5tbm) | Crystal structure of PT2385 bound to HIF2a-B*:ARNT-B* complex | Descriptor: | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Du, X. | Deposit date: | 2016-09-12 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Small-Molecule Antagonist of HIF2 alpha Is Efficacious in Preclinical Models of Renal Cell Carcinoma. Cancer Res., 76, 2016
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8WIU
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![BU of 8wiu by Molmil](/molmil-images/mine/8wiu) | Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-09-25 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis. Eur.J.Med.Chem., 265, 2023
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3CCC
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![BU of 3ccc by Molmil](/molmil-images/mine/3ccc) | Crystal Structure of Human DPP4 in complex with a benzimidazole derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile, ... | Authors: | Wallace, M.B, Skene, R.J. | Deposit date: | 2008-02-25 | Release date: | 2008-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3CCB
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![BU of 3ccb by Molmil](/molmil-images/mine/3ccb) | Crystal Structure of Human DPP4 in complex with a benzimidazole derivative | Descriptor: | 1-biphenyl-2-ylmethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wallace, M.B, Skene, R.J. | Deposit date: | 2008-02-25 | Release date: | 2008-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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4U1T
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![BU of 4u1t by Molmil](/molmil-images/mine/4u1t) | |
8FH2
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![BU of 8fh2 by Molmil](/molmil-images/mine/8fh2) | |
8FGZ
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![BU of 8fgz by Molmil](/molmil-images/mine/8fgz) | |
8FGY
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![BU of 8fgy by Molmil](/molmil-images/mine/8fgy) | |
8FH0
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![BU of 8fh0 by Molmil](/molmil-images/mine/8fh0) | |
8FH1
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![BU of 8fh1 by Molmil](/molmil-images/mine/8fh1) | |
3DY6
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![BU of 3dy6 by Molmil](/molmil-images/mine/3dy6) | PPARdelta complexed with an anthranilic acid partial agonist | Descriptor: | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid, IODIDE ION, Peroxisome proliferator-activated receptor delta | Authors: | Lambert, M.L, Xu, R, Shearer, B.G, Wilson, T.M. | Deposit date: | 2008-07-25 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a novel class of PPARdelta partial agonists Bioorg.Med.Chem.Lett., 18, 2008
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7WD0
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![BU of 7wd0 by Molmil](/molmil-images/mine/7wd0) | SARS-CoV-2 Beta spike in complex with two S5D2 Fabs | Descriptor: | Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein | Authors: | Wang, Y.F, Cong, Y. | Deposit date: | 2021-12-20 | Release date: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein. Emerg Microbes Infect, 11, 2022
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7WDF
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![BU of 7wdf by Molmil](/molmil-images/mine/7wdf) | SARS-CoV-2 Beta spike in complex with two S3H3 Fabs | Descriptor: | Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein | Authors: | Wang, Y.F, Cong, Y. | Deposit date: | 2021-12-21 | Release date: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein. Emerg Microbes Infect, 11, 2022
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7WD9
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![BU of 7wd9 by Molmil](/molmil-images/mine/7wd9) | |
7WD7
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![BU of 7wd7 by Molmil](/molmil-images/mine/7wd7) | |
7WCZ
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![BU of 7wcz by Molmil](/molmil-images/mine/7wcz) | SARS-CoV-2 Beta spike in complex with one S5D2 Fab | Descriptor: | Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein | Authors: | Wang, Y.F, Cong, Y. | Deposit date: | 2021-12-20 | Release date: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein. Emerg Microbes Infect, 11, 2022
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7WCR
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![BU of 7wcr by Molmil](/molmil-images/mine/7wcr) | |
7WD8
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![BU of 7wd8 by Molmil](/molmil-images/mine/7wd8) | SARS-CoV-2 Beta spike SD1 in complex with S3H3 Fab | Descriptor: | Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein | Authors: | Wang, Y.F, Cong, Y. | Deposit date: | 2021-12-21 | Release date: | 2022-02-02 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein. Emerg Microbes Infect, 11, 2022
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3OW3
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![BU of 3ow3 by Molmil](/molmil-images/mine/3ow3) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-09-17 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3OW4
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![BU of 3ow4 by Molmil](/molmil-images/mine/3ow4) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-09-17 | Release date: | 2010-11-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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