7V3U
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![BU of 7v3u by Molmil](/molmil-images/mine/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
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![BU of 7v3v by Molmil](/molmil-images/mine/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
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![BU of 6ehp by Molmil](/molmil-images/mine/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
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![BU of 7vlt by Molmil](/molmil-images/mine/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
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![BU of 7vlr by Molmil](/molmil-images/mine/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
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![BU of 7vlu by Molmil](/molmil-images/mine/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
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![BU of 7vls by Molmil](/molmil-images/mine/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
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![BU of 8t1j by Molmil](/molmil-images/mine/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
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![BU of 8t9u by Molmil](/molmil-images/mine/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
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![BU of 8t1k by Molmil](/molmil-images/mine/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
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![BU of 7v7c by Molmil](/molmil-images/mine/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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![BU of 7v7b by Molmil](/molmil-images/mine/7v7b) | |
4PSI
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![BU of 4psi by Molmil](/molmil-images/mine/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
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![BU of 4ptc by Molmil](/molmil-images/mine/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
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![BU of 7vd4 by Molmil](/molmil-images/mine/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
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![BU of 6e68 by Molmil](/molmil-images/mine/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
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![BU of 6e69 by Molmil](/molmil-images/mine/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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![BU of 3hgd by Molmil](/molmil-images/mine/3hgd) | |
3FHI
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![BU of 3fhi by Molmil](/molmil-images/mine/3fhi) | |
4PTE
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![BU of 4pte by Molmil](/molmil-images/mine/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
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![BU of 4qa5 by Molmil](/molmil-images/mine/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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![BU of 4qal by Molmil](/molmil-images/mine/4qal) | |
3HSW
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![BU of 3hsw by Molmil](/molmil-images/mine/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
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![BU of 4qib by Molmil](/molmil-images/mine/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
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![BU of 7w8g by Molmil](/molmil-images/mine/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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