6BTK
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6BTO
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![BU of 6bto by Molmil](/molmil-images/mine/6bto) | BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid | Descriptor: | (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | Authors: | Gampe, R, Shewchuk, L. | Deposit date: | 2017-12-07 | Release date: | 2018-08-08 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
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1U6B
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![BU of 1u6b by Molmil](/molmil-images/mine/1u6b) | CRYSTAL STRUCTURE OF A SELF-SPLICING GROUP I INTRON WITH BOTH EXONS | Descriptor: | 197-MER, 5'-R(*AP*AP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*CP*CP*AP*GP*AP*CP*GP *GP*CP*C)-3', 5'-R(*CP*AP*(5MU))-3', ... | Authors: | Adams, P.L, Stahley, M.R, Kosek, A.B, Wang, J, Strobel, S.A. | Deposit date: | 2004-07-29 | Release date: | 2004-08-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of a Self-Splicing Group I Intron with Both Exons. Nature, 430, 2004
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6Y6X
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![BU of 6y6x by Molmil](/molmil-images/mine/6y6x) | Tetracenomycin X bound to the human ribosome | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Buschauer, R, Cheng, J, Berninghausen, O, Beckmann, R, Wilson, D.N. | Deposit date: | 2020-02-27 | Release date: | 2020-07-08 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Tetracenomycin X inhibits translation by binding within the ribosomal exit tunnel. Nat.Chem.Biol., 16, 2020
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6VSW
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![BU of 6vsw by Molmil](/molmil-images/mine/6vsw) | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt | Descriptor: | 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C | Authors: | Spurlino, J, Milligan, C. | Deposit date: | 2020-02-12 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t. Bioorg.Med.Chem.Lett., 30, 2020
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6N9P
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6VNV
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![BU of 6vnv by Molmil](/molmil-images/mine/6vnv) | Crystal structure of TYK2 kinase with compound 14 | Descriptor: | (1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Vajdos, F.F. | Deposit date: | 2020-01-29 | Release date: | 2020-04-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1. Bioorg.Med.Chem., 28, 2020
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6BNK
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![BU of 6bnk by Molmil](/molmil-images/mine/6bnk) | Crystal structure of TCR-MHC-like molecule | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Le Nours, J, Rossjohn, J. | Deposit date: | 2017-11-16 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Dual Modifications of alpha-Galactosylceramide Synergize to Promote Activation of Human Invariant Natural Killer T Cells and Stimulate Anti-tumor Immunity. Cell Chem Biol, 25, 2018
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7KXO
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![BU of 7kxo by Molmil](/molmil-images/mine/7kxo) | BTK1 SOAKED WITH COMPOUND 24 | Descriptor: | 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXP
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![BU of 7kxp by Molmil](/molmil-images/mine/7kxp) | BTK1 SOAKED WITH COMPOUND 25 | Descriptor: | 3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KJJ
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![BU of 7kjj by Molmil](/molmil-images/mine/7kjj) | Reconstructed ancestor of HIUases and Transthyretins | Descriptor: | 1,2-ETHANEDIOL, 3,5,3',5'-TETRAIODO-L-THYRONINE, TTR ancestor | Authors: | Nagem, R.A.P, Bleicher, L, Costa, M.A.F. | Deposit date: | 2020-10-26 | Release date: | 2021-05-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Reenacting the Birth of a Function: Functional Divergence of HIUases and Transthyretins as Inferred by Evolutionary and Biophysical Studies. J.Mol.Evol., 89, 2021
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7KXN
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![BU of 7kxn by Molmil](/molmil-images/mine/7kxn) | BTK1 SOAKED WITH COMPOUND 26 | Descriptor: | 3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXQ
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![BU of 7kxq by Molmil](/molmil-images/mine/7kxq) | BTK1 SOAKED WITH COMPOUND 30 | Descriptor: | 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | Authors: | Viacava Follis, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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6ZCV
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6W82
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![BU of 6w82 by Molmil](/molmil-images/mine/6w82) | K2P2.1 (TREK-1), 50 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6W86
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![BU of 6w86 by Molmil](/molmil-images/mine/6w86) | K2P2.1 (TREK-1):ML335 complex, 100 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.299 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6ZJB
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![BU of 6zjb by Molmil](/molmil-images/mine/6zjb) | Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Gp5A | Descriptor: | GTP:AMP phosphotransferase AK3, mitochondrial, MAGNESIUM ION, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2020-06-28 | Release date: | 2020-09-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3. Biochemistry, 59, 2020
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7KBG
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6Z7W
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![BU of 6z7w by Molmil](/molmil-images/mine/6z7w) | Human insulin in complex with the analytical antibody HUI-018 Fab | Descriptor: | HUI-018 Fab Heavy Chain, Insulin, MAb 6H10 light chain | Authors: | Johansson, E. | Deposit date: | 2020-06-02 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties. Protein Sci., 30, 2021
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6BTP
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![BU of 6btp by Molmil](/molmil-images/mine/6btp) | BMP1 complexed with a hydroxamate | Descriptor: | (1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide, Bone morphogenetic protein 1, THIOCYANATE ION, ... | Authors: | Gampe, R, Shewchuk, L. | Deposit date: | 2017-12-07 | Release date: | 2018-08-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
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6W7C
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![BU of 6w7c by Molmil](/molmil-images/mine/6w7c) | K2P2.1 (TREK-1), 1 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-19 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6ZCW
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![BU of 6zcw by Molmil](/molmil-images/mine/6zcw) | |
6W88
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![BU of 6w88 by Molmil](/molmil-images/mine/6w88) | K2P2.1 (TREK-1):ML335 complex, 30 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6BA4
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![BU of 6ba4 by Molmil](/molmil-images/mine/6ba4) | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | Descriptor: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | Deposit date: | 2017-10-12 | Release date: | 2018-08-01 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6XVS
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![BU of 6xvs by Molmil](/molmil-images/mine/6xvs) | Human myelin protein P2 mutant P38G, unliganded | Descriptor: | GLYCEROL, Myelin P2 protein | Authors: | Ruskamo, S, Lehtimaki, M, Kursula, P. | Deposit date: | 2020-01-22 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice. J.Biol.Chem., 295, 2020
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