7V3U
 
 | | Cryo-EM structure of MCM double hexamer with structured Mcm4-NSD | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | | Authors: | Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y. | | Deposit date: | 2021-08-11 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
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7V3V
 | | Cryo-EM structure of MCM double hexamer bound with DDK in State I | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ... | | Authors: | Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y. | | Deposit date: | 2021-08-11 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
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6EHP
 | | The crystal structure of the human LAMTOR complex | | Descriptor: | CHLORIDE ION, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ... | | Authors: | Scheffzek, K, Naschberger, A. | | Deposit date: | 2017-09-14 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the human lysosomal mTORC1 scaffold complex and its impact on signaling.
Science, 358, 2017
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7VLT
 | | Structure of SUR2B in complex with Mg-ATP/ADP and levcromakalim | | Descriptor: | (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Chen, L, Ding, D. | | Deposit date: | 2021-10-05 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural identification of vasodilator binding sites on the SUR2 subunit.
Nat Commun, 13, 2022
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7VLR
 | | Structure of SUR2B in complex with Mg-ATP/ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Chen, L, Ding, D. | | Deposit date: | 2021-10-05 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural identification of vasodilator binding sites on the SUR2 subunit.
Nat Commun, 13, 2022
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7VLU
 | | Structure of SUR2A in complex with Mg-ATP/ADP and P1075 | | Descriptor: | 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Chen, L, Ding, D. | | Deposit date: | 2021-10-05 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural identification of vasodilator binding sites on the SUR2 subunit.
Nat Commun, 13, 2022
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7VLS
 | | Structure of SUR2B in complex with MgATP/ADP and P1075 | | Descriptor: | 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Chen, L, Ding, D. | | Deposit date: | 2021-10-05 | | Release date: | 2022-05-18 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural identification of vasodilator binding sites on the SUR2 subunit.
Nat Commun, 13, 2022
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8T1J
 | | Uncrosslinked nNOS-CaM oxygenase homodimer | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ... | | Authors: | Lee, K, Pospiech, T.H, Southworth, D. | | Deposit date: | 2023-06-02 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry.
J.Biol.Chem., 300, 2023
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8T9U
 | | Human PU.1 ETS-domain (165-270) in complex with d(AATAAGCGIAAGTGGG) | | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*IP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ... | | Authors: | Terrell, J.R, Poon, G.M.K. | | Deposit date: | 2023-06-26 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors.
Structure, 32, 2024
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8T1K
 | | DSBU crosslinked nNOS-CaM oxygenase homodimer | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ... | | Authors: | Lee, K, Pospiech, T.H, Southworth, D. | | Deposit date: | 2023-06-02 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry.
J.Biol.Chem., 300, 2023
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7V7C
 | | CryoEM structure of DDB1-VprBP-Vpr-UNG2(94-313) complex | | Descriptor: | DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, Protein Vpr, ... | | Authors: | Wang, D, Xu, J, Liu, Q, Xiang, Y. | | Deposit date: | 2021-08-21 | | Release date: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural insights into the HIV-1 Vpr mediated ubiquitination through the Cullin-RING E3 ubiquitin ligase
To Be Published
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7V7B
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4PSI
 | | PIH1D1/phospho-Tel2 complex | | Descriptor: | PIH1 domain-containing protein 1, Telomere length regulation protein TEL2 homolog | | Authors: | Smerdon, S.J, Boulton, S.J, Stach, L, Flower, T.G, Horejsi, Z. | | Deposit date: | 2014-03-07 | | Release date: | 2014-04-23 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Phosphorylation-Dependent PIH1D1 Interactions Define Substrate Specificity of the R2TP Cochaperone Complex.
Cell Rep, 7, 2014
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4PTC
 | | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | | Descriptor: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.711 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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7VD4
 | | Crystal structure of BPTF-BRD with ligand TP248 bound | | Descriptor: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | Authors: | Lu, T, Lu, H.B. | | Deposit date: | 2021-09-06 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85659146 Å) | | Cite: | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
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6E68
 | | NAMPT co-crystal with inhibitor compound 2 | | Descriptor: | (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Waight, A.B, Neumann, C.S. | | Deposit date: | 2018-07-24 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | NAMPT co-crystal with inhibitor compound 2
to be published
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6E69
 | | Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | | Descriptor: | 2-(fluorosulfonyl)benzene-1-sulfonic 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: | Wolan, D.W, Woehl, J.L, Kitamura, S. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3HGD
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3FHI
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4PTE
 | | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | | Deposit date: | 2014-03-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.033 Å) | | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
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4QA5
 | | Crystal structure of A188T/Y306F HDAC8 in complex with a tetrapeptide substrate | | Descriptor: | 7-AMINO-4-METHYL-CHROMEN-2-ONE, GLYCEROL, Histone deacetylase 8, ... | | Authors: | Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | | Deposit date: | 2014-05-02 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
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4QAL
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3HSW
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with 2-methoxycyclohexa-2-5-diene-1,4-dione | | Descriptor: | 2-methoxycyclohexa-2,5-diene-1,4-dione, CALCIUM ION, Phospholipase A2, ... | | Authors: | Dileep, K.V, Tintu, I, Karthe, P, Mandal, P.K, Haridas, M, Sadasivan, C. | | Deposit date: | 2009-06-11 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of porcine pancreatic phospholipase A2 in complex with 2-methoxycyclohexa-2-5-diene-1,4-dione
Frontiers in life sci., 2012
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4QIB
 | | Oxidation-Mediated Inhibition of the Peptidyl-Prolyl Isomerase Pin1 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | | Authors: | Innes, B.T, Sowole, M.A, Konermann, L, Litchfield, D.W, Brandl, C.J, Shilton, B.H. | | Deposit date: | 2014-05-30 | | Release date: | 2015-02-04 | | Last modified: | 2015-03-04 | | Method: | X-RAY DIFFRACTION (1.865 Å) | | Cite: | Peroxide-mediated oxidation and inhibition of the peptidyl-prolyl isomerase Pin1.
Biochim.Biophys.Acta, 1852, 2015
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7W8G
 | | Cryo-EM structure of MCM double hexamer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ... | | Authors: | Cheng, J, Li, N, Tye, B, Zhai, Y, Gao, N. | | Deposit date: | 2021-12-07 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
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