6C1I
 
 | | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 | | Descriptor: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma, nonanoic acid | | Authors: | Shang, J, Fuhrmann, J, Brust, R, Kojetin, D.J. | | Deposit date: | 2018-01-04 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | A structural mechanism for directing corepressor-selective inverse agonism of PPAR gamma.
Nat Commun, 9, 2018
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4KNB
 | | C-Met in complex with OSI ligand | | Descriptor: | 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | | Authors: | Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J. | | Deposit date: | 2013-05-09 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.
Bioorg.Med.Chem.Lett., 23, 2013
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6GR7
 | | Crystal Structure Of Human Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T) | | Descriptor: | 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-06-09 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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3CFR
 | | Structure of the replicating complex of a POL Alpha family DNA Polymerase, ternary complex 2 | | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DGP*DCP*DGP*DGP*DAP*DCP*DTP*DGP*DCP*DTP*DTP*DAP*(DOC))-3'), ... | | Authors: | Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H. | | Deposit date: | 2008-03-04 | | Release date: | 2009-03-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Insights into base selectivity from the structures
of an RB69 DNA Polymerase triple mutant
To be Published
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3TAX
 | | A Neutral Diphosphate Mimic Crosslinks the Active Site of Human O-GlcNAc Transferase | | Descriptor: | Casein kinase II subunit alpha, FORMYL GROUP, SULFATE ION, ... | | Authors: | Lazarus, M.B, Jiang, J, Pasquina, L, Sliz, P, Walker, S. | | Deposit date: | 2011-08-04 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | A neutral diphosphate mimic crosslinks the active site of human O-GlcNAc transferase.
Nat.Chem.Biol., 8, 2011
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2BAZ
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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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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
 | | 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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5VCJ
 | | Structure of alpha-galactosylphytosphingosine bound by CD1d and in complex with the Va14Vb8.2 TCR | | Descriptor: | (2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl alpha-D-galactopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Wang, J, Zajonc, D.M. | | Deposit date: | 2017-03-31 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Enhancing T cell responses and tumour immunity by vaccination with peptides conjugated to a weak NKT cell agonist.
Org. Biomol. Chem., 17, 2019
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5OR2
 | | Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid | | Descriptor: | (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ... | | Authors: | Freigang, J. | | Deposit date: | 2017-08-15 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses
Eur.J.Org.Chem., 2018
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3VHZ
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8H24
 | | Leucine-rich alpha-2-glycoprotein 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich alpha-2-glycoprotein, SULFATE ION | | Authors: | Won, S.Y, Park, B.S, Lee, D.S, Kim, H.M, Han, A, Yang, J. | | Deposit date: | 2022-10-04 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of LRG1 and the functional significance of LRG1 glycan for LPHN2 activation.
Exp.Mol.Med., 55, 2023
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3VI0
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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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8HXS
 | | Small_spotted catshark CD8alpha | | Descriptor: | T-cell surface glycoprotein CD8 alpha chain | | Authors: | Wang, J, Zou, J. | | Deposit date: | 2023-01-05 | | Release date: | 2023-02-22 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The first crystal structure of CD8 alpha alpha from a cartilaginous fish.
Front Immunol, 14, 2023
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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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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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7UK1
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5UFL
 | | Crystal structure of a CIP2A core domain | | Descriptor: | Protein CIP2A, ZINC ION | | Authors: | Wang, Z, Wang, J, Rao, Z, Xu, W. | | Deposit date: | 2017-01-04 | | Release date: | 2017-02-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Oncoprotein CIP2A is stabilized via interaction with tumor suppressor PP2A/B56.
EMBO Rep., 18, 2017
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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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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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4GSB
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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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4GVA
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