7K3L
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4L3P
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![BU of 4l3p by Molmil](/molmil-images/mine/4l3p) | Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1 | Descriptor: | 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M. | Deposit date: | 2013-06-06 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. Bioorg.Med.Chem.Lett., 23, 2013
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6IZ2
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7KJ2
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![BU of 7kj2 by Molmil](/molmil-images/mine/7kj2) | SARS-CoV-2 Spike Glycoprotein with one ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | Deposit date: | 2020-10-25 | Release date: | 2020-11-11 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent. Nat.Struct.Mol.Biol., 28, 2021
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7KJ4
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![BU of 7kj4 by Molmil](/molmil-images/mine/7kj4) | SARS-CoV-2 Spike Glycoprotein with three ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | Deposit date: | 2020-10-25 | Release date: | 2020-11-11 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent. Nat.Struct.Mol.Biol., 28, 2021
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2LY0
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![BU of 2ly0 by Molmil](/molmil-images/mine/2ly0) | Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332 | Descriptor: | (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2012-09-10 | Release date: | 2013-01-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus. Proc.Natl.Acad.Sci.USA, 110, 2013
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7V3P
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![BU of 7v3p by Molmil](/molmil-images/mine/7v3p) | Cryo-EM structure of the IGF1R/insulin complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | Authors: | Zhang, J, Liu, C, Zhang, X, Wei, T, Wu, C. | Deposit date: | 2021-08-11 | Release date: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of the IGF1R/insulin complex To Be Published
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8HGU
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5E85
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![BU of 5e85 by Molmil](/molmil-images/mine/5e85) | isolated SBD of BiP | Descriptor: | 78 kDa glucose-regulated protein, SULFATE ION | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | Deposit date: | 2015-10-13 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP. Structure, 23, 2015
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4L53
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![BU of 4l53 by Molmil](/molmil-images/mine/4l53) | Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1 | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ... | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics. Bioorg.Med.Chem.Lett., 23, 2013
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7UK1
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7UJ1
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![BU of 7uj1 by Molmil](/molmil-images/mine/7uj1) | Crystal structure of PSF-RNA complex | Descriptor: | RNA (30-MER), Splicing factor, proline- and glutamine-rich | Authors: | Sachpatzidis, A, Wang, J, Konigsberg, W.H. | Deposit date: | 2022-03-30 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Insight into the Tumor Suppression Mechanism from the Structure of Human Polypyrimidine Splicing Factor (PSF/SFPQ) Complexed with a 30mer RNA from Murine Virus-like 30S Transcript-1. Biochemistry, 61, 2022
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4GVA
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6KIX
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![BU of 6kix by Molmil](/molmil-images/mine/6kix) | Cryo-EM structure of human MLL1-NCP complex, binding mode1 | Descriptor: | DNA (145-MER), GLUTAMINE, Histone H2A, ... | Authors: | Huang, J, Xue, H, Yao, T. | Deposit date: | 2019-07-20 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis of nucleosome recognition and modification by MLL methyltransferases. Nature, 573, 2019
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4L52
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![BU of 4l52 by Molmil](/molmil-images/mine/4l52) | Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1 | Descriptor: | 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. Bioorg.Med.Chem.Lett., 23, 2013
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5GPH
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4GSB
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5H2Z
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6KIW
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![BU of 6kiw by Molmil](/molmil-images/mine/6kiw) | Cryo-EM structure of human MLL3-ubNCP complex (4.0 angstrom) | Descriptor: | DNA (144-MER), DNA (145-MER), Histone H2A, ... | Authors: | Huang, J, Xue, H, Yao, T. | Deposit date: | 2019-07-20 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of nucleosome recognition and modification by MLL methyltransferases. Nature, 573, 2019
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7KJ3
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![BU of 7kj3 by Molmil](/molmil-images/mine/7kj3) | SARS-CoV-2 Spike Glycoprotein with two ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | Deposit date: | 2020-10-25 | Release date: | 2020-11-11 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent. Nat.Struct.Mol.Biol., 28, 2021
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7KJ5
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![BU of 7kj5 by Molmil](/molmil-images/mine/7kj5) | SARS-CoV-2 Spike Glycoprotein, prefusion with one RBD up conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | Deposit date: | 2020-10-25 | Release date: | 2020-11-11 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent. Nat.Struct.Mol.Biol., 28, 2021
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5UY8
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![BU of 5uy8 by Molmil](/molmil-images/mine/5uy8) | Crystal structure of AICARFT bound to an antifolate | Descriptor: | 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ... | Authors: | Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D. | Deposit date: | 2017-02-23 | Release date: | 2018-01-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J. Med. Chem., 60, 2017
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6KIV
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![BU of 6kiv by Molmil](/molmil-images/mine/6kiv) | Cryo-EM structure of human MLL1-ubNCP complex (4.0 angstrom) | Descriptor: | DNA (145-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Huang, J, Xue, H, Yao, T. | Deposit date: | 2019-07-20 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of nucleosome recognition and modification by MLL methyltransferases. Nature, 573, 2019
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6KIZ
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![BU of 6kiz by Molmil](/molmil-images/mine/6kiz) | Cryo-EM structure of human MLL1-NCP complex, binding mode2 | Descriptor: | DNA (145-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Huang, J, Xue, H, Yao, T. | Deposit date: | 2019-07-20 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural basis of nucleosome recognition and modification by MLL methyltransferases. Nature, 573, 2019
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6KIU
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![BU of 6kiu by Molmil](/molmil-images/mine/6kiu) | Cryo-EM structure of human MLL1-ubNCP complex (3.2 angstrom) | Descriptor: | DNA (145-MER), GLUTAMINE, Histone H2A, ... | Authors: | Huang, J, Xue, H, Yao, T. | Deposit date: | 2019-07-20 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of nucleosome recognition and modification by MLL methyltransferases. Nature, 573, 2019
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