6LN6
 
 | | CryoEM structure of SERCA2b T1032stop in E1-2Ca2+-AMPPCP (class2) | | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Zhang, Y, Tsutsumi, A, Watanabe, S, Inaba, K. | | Deposit date: | 2019-12-28 | | Release date: | 2020-08-26 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of SERCA2b reveal the mechanism of regulation by the luminal extension tail.
Sci Adv, 6, 2020
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4IWV
 | | Crystals structure of Human Glucokinase in complex with small molecule activator | | Descriptor: | (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ... | | Authors: | Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M. | | Deposit date: | 2013-01-24 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485
To be Published
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4J1P
 | | X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain containing 2, ... | | Authors: | Stein, A.J, White, A, Suto, R.K. | | Deposit date: | 2013-02-01 | | Release date: | 2014-01-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
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8VVK
 | | CCHFV GP38 bound to ADI-46143 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-46143 Fab Heavy Chain, ADI-46143 Fab Light Chain, ... | | Authors: | Hjorth, C.K, McLellan, J.S. | | Deposit date: | 2024-01-31 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
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8VVL
 | | CCHFV GP38 bound to c13G8 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hjorth, C.K, Mishra, A.K, McLellan, J.S. | | Deposit date: | 2024-01-31 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38.
Cell Rep, 43, 2024
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4IUG
 | | Crystal structure of beta-galactosidase from Aspergillus oryzae in complex with galactose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-6-O-phosphono-beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, ... | | Authors: | Maksimainen, M, Rouvinen, J. | | Deposit date: | 2013-01-21 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of acidic beta-galactosidase from Aspergillus oryzae.
Int.J.Biol.Macromol., 60C, 2013
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4JI9
 | | JAK2 kinase (JH1 domain) in complex with TG101209 | | Descriptor: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2013-03-05 | | Release date: | 2013-08-07 | | Last modified: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4JXX
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4J6I
 | | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform | | Descriptor: | 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M, Rouge, L, Wu, P. | | Deposit date: | 2013-02-11 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform.
Bioorg.Med.Chem.Lett., 23, 2013
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2RMS
 | | Solution structure of the mSin3A PAH1-SAP25 SID complex | | Descriptor: | MSin3A-binding protein, Paired amphipathic helix protein Sin3a | | Authors: | Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I. | | Deposit date: | 2007-11-14 | | Release date: | 2008-01-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor
J.Mol.Biol., 375, 2007
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4JO3
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4JBV
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2RMR
 | | Solution structure of mSin3A PAH1 domain | | Descriptor: | Paired amphipathic helix protein Sin3a | | Authors: | Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I. | | Deposit date: | 2007-11-14 | | Release date: | 2008-01-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor
J.Mol.Biol., 375, 2007
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5LA3
 | | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant E279A | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, Iron hydrogenase 1, ... | | Authors: | Duan, J, Esselborn, J, Hofmann, E, Winkler, M, Happe, T. | | Deposit date: | 2016-06-13 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Accumulating the hydride state in the catalytic cycle of [FeFe]-hydrogenases.
Nat Commun, 8, 2017
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6HWO
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335 | | Descriptor: | 1,2-ETHANEDIOL, 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-10-12 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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4JYZ
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6MS4
 | | Crystal structure of the DENR-MCT-1 complex | | Descriptor: | Density-regulated protein, GLYCEROL, Malignant T-cell-amplified sequence 1, ... | | Authors: | Lomakin, I.B, Steitz, T.A, Dmitriev, S.E. | | Deposit date: | 2018-10-16 | | Release date: | 2019-01-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal structure of the DENR-MCT-1 complex revealed zinc-binding site essential for heterodimer formation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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2VKL
 | | X-ray crystal structure of the intracellular Chorismate mutase from Mycobactrerium Tuberculosis in complex with malate | | Descriptor: | D-MALATE, RV0948C/MT0975 | | Authors: | Okvist, M, Roderer, K, Sasso, S, Kast, P, Krengel, U. | | Deposit date: | 2007-12-20 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure and Function of a Complex between Chorismate Mutase and Dahp Synthase: Efficiency Boost for the Junior Partner.
Embo J., 28, 2009
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4KIO
 | | Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor | | Descriptor: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one, 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one, GLYCEROL, ... | | Authors: | Somers, D.O. | | Deposit date: | 2013-05-02 | | Release date: | 2013-08-21 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket.
J.Biol.Chem., 288, 2013
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8OWU
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8OWS
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4K59
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6HWN
 | | Structure of Thermus thermophilus ClpP in complex with a tripeptide. | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, DI(HYDROXYETHYL)ETHER, Unknown tripeptide | | Authors: | Felix, J, Schanda, P, Fraga, H, Morlot, C. | | Deposit date: | 2018-10-12 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors.
Sci Adv, 5, 2019
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4IGF
 | | Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one | | Descriptor: | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ... | | Authors: | Kostrewa, D, Perozzo, R. | | Deposit date: | 2012-12-17 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI)
J.Med.Chem., 56, 2013
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5L3L
 | | D11 bound IGF-II | | Descriptor: | Insulin-like growth factor II | | Authors: | Hexnerova, R. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-10 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
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