6X83
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8KHR
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![BU of 8khr by Molmil](/molmil-images/mine/8khr) | Cryo-EM structure of EBV gH/gL-gp42 in complex with fab 2C1 | Descriptor: | 2C1 heavy chain, 2C1 light chain, Envelope glycoprotein H, ... | Authors: | Fang, X.Y, Zhao, G.X, Zeng, M.S, Liu, Z. | Deposit date: | 2023-08-22 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Potent human monoclonal antibodies targeting Epstein-Barr virus gp42 reveal vulnerable sites for virus infection. Cell Rep Med, 5, 2024
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6ODF
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![BU of 6odf by Molmil](/molmil-images/mine/6odf) | EEEV glycoproteins bound with heparan sulfate | Descriptor: | 2-O-sulfo-beta-L-galactopyranuronic acid-(1-4)-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid, E1, E2 | Authors: | Rossmann, M.G, Chen, C.L. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Cryo-EM structure of eastern equine encephalitis virus in complex with heparan sulfate analogues. Proc.Natl.Acad.Sci.USA, 117, 2020
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8SQN
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![BU of 8sqn by Molmil](/molmil-images/mine/8sqn) | CryoEM structure of Western equine encephalitis virus VLP in complex with the chimeric Du-D1-Mo-D2 MXRA8 receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DuD1MoD2 chimeric MXRA8, E1 envelope glycoprotein, ... | Authors: | Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-05-04 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Vertebrate-class-specific binding modes of the alphavirus receptor MXRA8. Cell, 186, 2023
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7N69
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7N6A
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6X81
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6X85
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![BU of 6x85 by Molmil](/molmil-images/mine/6x85) | Crystal Structure of TNFalpha with indolinone compound 9 | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor | Authors: | Longenecker, K.L, Stoll, V.S. | Deposit date: | 2020-06-01 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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6X82
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![BU of 6x82 by Molmil](/molmil-images/mine/6x82) | Crystal Structure of TNFalpha with isoquinoline compound 4 | Descriptor: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline, Tumor necrosis factor | Authors: | Longenecker, K.L, Stoll, V.S. | Deposit date: | 2020-06-01 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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6X86
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![BU of 6x86 by Molmil](/molmil-images/mine/6x86) | Crystal Structure of TNFalpha with indolinone compound 11 | Descriptor: | 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor | Authors: | Longenecker, K.L, Stoll, V.S. | Deposit date: | 2020-06-01 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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7LH7
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![BU of 7lh7 by Molmil](/molmil-images/mine/7lh7) | Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor | Descriptor: | Bcl-2-like protein 1, N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide | Authors: | Judge, R.A, Tao, Z. | Deposit date: | 2021-01-21 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.409 Å) | Cite: | Structure-Based Design of A-1293102, a Potent and Selective BCL-XL Inhibitor ACS Medicinal Chemistry Letters, 12, 2021
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7SIU
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![BU of 7siu by Molmil](/molmil-images/mine/7siu) | Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | Descriptor: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | Authors: | Longenecker, K.L, Korepanova, A, Qiu, W. | Deposit date: | 2021-10-14 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy. Acs Chem.Biol., 17, 2022
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5UEX
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![BU of 5uex by Molmil](/molmil-images/mine/5uex) | BRD4_BD2_A-1497627 | Descriptor: | 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEU
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![BU of 5ueu by Molmil](/molmil-images/mine/5ueu) | BRD4_BD2_A-1107604 | Descriptor: | Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UF0
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![BU of 5uf0 by Molmil](/molmil-images/mine/5uf0) | BRD4_BD2-A-35165 | Descriptor: | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-06-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEZ
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![BU of 5uez by Molmil](/molmil-images/mine/5uez) | BRD4_BD2_A-1342843 | Descriptor: | 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEW
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![BU of 5uew by Molmil](/molmil-images/mine/5uew) | BRD2 Bromodomain2 with A-1360579 | Descriptor: | Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEY
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![BU of 5uey by Molmil](/molmil-images/mine/5uey) | BRD4_BD2_A-1412838 | Descriptor: | 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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6ONY
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![BU of 6ony by Molmil](/molmil-images/mine/6ony) | BRD2_Bromodomain1 complex with inhibitor 744 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Bigelow, L. | Deposit date: | 2019-04-22 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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6PES
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![BU of 6pes by Molmil](/molmil-images/mine/6pes) | Cryo-EM structure of alpha-synuclein H50Q Wide Fibril | Descriptor: | Alpha-synuclein | Authors: | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | Deposit date: | 2019-06-20 | Release date: | 2019-11-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs. Nat.Struct.Mol.Biol., 26, 2019
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6PEO
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![BU of 6peo by Molmil](/molmil-images/mine/6peo) | Cryo-EM structure of alpha-synuclein H50Q Narrow Fibril | Descriptor: | Alpha-synuclein | Authors: | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | Deposit date: | 2019-06-20 | Release date: | 2019-11-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs. Nat.Struct.Mol.Biol., 26, 2019
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8USR
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![BU of 8usr by Molmil](/molmil-images/mine/8usr) | IL17A homodimer complexed to Compound 23 | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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8USS
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![BU of 8uss by Molmil](/molmil-images/mine/8uss) | IL17A complexed to Compound 7 | Descriptor: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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1CO1
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![BU of 1co1 by Molmil](/molmil-images/mine/1co1) | FOLD OF THE CBFA | Descriptor: | CORE BINDING FACTOR ALPHA | Authors: | Berardi, M.J, Bushweller, J.H. | Deposit date: | 1999-05-31 | Release date: | 2000-06-07 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The Ig fold of the core binding factor alpha Runt domain is a member of a family of structurally and functionally related Ig-fold DNA-binding domains. Structure Fold.Des., 7, 1999
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6E6J
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![BU of 6e6j by Molmil](/molmil-images/mine/6e6j) | BRD2_Bromodomain2 complex with inhibitor 744 | Descriptor: | Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Park, C.H, Bigelow, L. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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