8GMO
 
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3RO2
 | | Structures of the LGN/NuMA complex | | Descriptor: | G-protein-signaling modulator 2, GLYCEROL, peptide of Nuclear mitotic apparatus protein 1 | | Authors: | Shang, Y, Wei, Z. | | Deposit date: | 2011-04-25 | | Release date: | 2012-03-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
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6QST
 | | Structure of CREBBP bromodomain with compound 2 bound | | Descriptor: | CREB-binding protein, ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Sledz, P, Caflisch, A. | | Deposit date: | 2019-02-22 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of CREBBP bromodomain with compound 2 bound
To Be Published
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4V67
 | | Crystal structure of a translation termination complex formed with release factor RF2. | | Descriptor: | 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ... | | Authors: | Korostelev, A, Asahara, H, Lancaster, L, Laurberg, M, Hirschi, A, Noller, H.F. | | Deposit date: | 2008-10-27 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of a translation termination complex formed with release factor RF2.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4W2R
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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3U2S
 | | Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain ZM109 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | McLellan, J.S, Pancera, M, Kwong, P.D. | | Deposit date: | 2011-10-04 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
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3U46
 | | CH04H/CH02L P212121 | | Descriptor: | CH02 Light chain Fab, CH04 Heavy chain Fab | | Authors: | Louder, R, Pancera, M, McLellan, J.S, Kwong, P.D. | | Deposit date: | 2011-10-07 | | Release date: | 2011-11-30 | | Last modified: | 2011-12-21 | | Method: | X-RAY DIFFRACTION (2.906 Å) | | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
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5FFO
 | | Integrin alpha V beta 6 in complex with pro-TGF-beta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Dong, X, Zhao, B, Springer, T.A. | | Deposit date: | 2015-12-18 | | Release date: | 2017-01-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
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5FFG
 | | Crystal structure of integrin alpha V beta 6 head | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dong, X, Springer, T.A. | | Deposit date: | 2015-12-18 | | Release date: | 2017-01-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
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5XDZ
 | | Crystal structure of zebrafish SNX25 PX domain | | Descriptor: | CHLORIDE ION, Cellular trafficking protein, SODIUM ION | | Authors: | Su, K, Zhang, Y, Xu, J, Liu, J. | | Deposit date: | 2017-03-30 | | Release date: | 2017-06-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the PX domain of SNX25 reveals a novel phospholipid recognition model by dimerization in the PX domain
FEBS Lett., 591, 2017
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7OQ6
 | | Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | | Authors: | Zhang, L, Zhang, S, Bechthold, A, Einsle, O. | | Deposit date: | 2021-06-02 | | Release date: | 2022-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
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5WXH
 | | Crystal structure of TAF3 PHD finger bound to H3K4me3 | | Descriptor: | Histone H3K4me3, Transcription initiation factor TFIID subunit 3, ZINC ION | | Authors: | Zhao, S, Huang, J, Li, H. | | Deposit date: | 2017-01-07 | | Release date: | 2017-08-16 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.297 Å) | | Cite: | Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WXG
 | | Structure of TAF PHD finger domain binds to H3(1-15)K4ac | | Descriptor: | Histone H3K4ac, MAGNESIUM ION, Transcription initiation factor TFIID subunit 3, ... | | Authors: | Zhao, S, Li, H. | | Deposit date: | 2017-01-07 | | Release date: | 2017-08-16 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2FYZ
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4U0L
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4U0N
 | | Structure of the Vibrio cholerae di-nucleotide cyclase (DncV) deletion mutant D-loop | | Descriptor: | Cyclic AMP-GMP synthase, MAGNESIUM ION, N-[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-gamma-glutamyl-L-glutamic acid | | Authors: | Xiang, Y, Zhu, D.Y. | | Deposit date: | 2014-07-12 | | Release date: | 2014-09-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Structural Biochemistry of a Vibrio cholerae Dinucleotide Cyclase Reveals Cyclase Activity Regulation by Folates.
Mol.Cell, 55, 2014
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4U03
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4U0M
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2YHV
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2YFX
 | | Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | | Deposit date: | 2011-04-08 | | Release date: | 2011-05-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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8WYP
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5KZ0
 | | Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide | | Descriptor: | 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide, ALK tyrosine kinase receptor | | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | Deposit date: | 2016-07-22 | | Release date: | 2016-08-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations.
J. Med. Chem., 57, 2014
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7YTL
 | | Structure of a oxidoreductase in complex with quinone | | Descriptor: | Apoptosis inducing factor mitochondria associated 2, FLAVIN-ADENINE DINUCLEOTIDE, UBIQUINONE-1 | | Authors: | Lv, Y, Sun, Q, Wang, Q, Zhu, D. | | Deposit date: | 2022-08-15 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural insights into FSP1 catalysis and ferroptosis inhibition.
Nat Commun, 14, 2023
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5H3R
 | | Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA | | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)-3'), Multiple antibiotic resistance protein MarR | | Authors: | Zhu, R, Lou, H, Hao, Z. | | Deposit date: | 2016-10-26 | | Release date: | 2017-08-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural characterization of the DNA-binding mechanism underlying the copper(II)-sensing MarR transcriptional regulator.
J. Biol. Inorg. Chem., 22, 2017
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4CCU
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol | | Descriptor: | 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2013-10-28 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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