5HYA
 
 | | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchangerNCX_Mj soaked with 150 mM Na+ and nominal Ca2+ | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, CALCIUM ION, ... | | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | | Deposit date: | 2016-02-01 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
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2ZS7
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with citrate anion | | Descriptor: | CITRATE ANION, GLYCEROL, Pantothenate kinase, ... | | Authors: | Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2008-09-03 | | Release date: | 2009-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
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5HZA
 | | Crystal structure of GII.10 P domain in complex with 3-fucosyllactose (3 FL) | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]beta-D-glucopyranose | | Authors: | Hansman, G.S, Koromyslova, A.D, Singh, B.K. | | Deposit date: | 2016-02-02 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides.
J.Virol., 90, 2016
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3V93
 | | unliganded structure of TcrPDEC1 catalytic domain | | Descriptor: | Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION | | Authors: | Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H. | | Deposit date: | 2011-12-23 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors.
J.Biol.Chem., 287, 2012
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5KPW
 | | Structure of RelA bound to ribosome in presence of A/R tRNA (Structure III) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-07-05 | | Release date: | 2016-09-28 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
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4FHB
 | | Enhancing DHFR catalysis by binding of an allosteric regulator nanobody (Nb179) | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Oyen, D. | | Deposit date: | 2012-06-06 | | Release date: | 2013-04-24 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
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7SKW
 | | Ab initio structure of triclinic lysozyme from electron-counted MicroED data | | Descriptor: | Lysozyme C, NITRATE ION | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Hattne, J, Gonen, T. | | Deposit date: | 2021-10-21 | | Release date: | 2022-06-08 | | Last modified: | 2022-06-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.87 Å) | | Cite: | Ab initio phasing macromolecular structures using electron-counted MicroED data.
Nat.Methods, 19, 2022
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7M3T
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8SQA
 | | The cryo-EM structure of the EcBAM/EspP(beta8-12) complex | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Autotransporter protein EspP translocator, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Wu, R, Noinaj, N. | | Deposit date: | 2023-05-04 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | BAM orchestrates OMP biogenesis using a beta-templating mechanism
To Be Published
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7SKX
 | | Ab initio structure of proteinase K from electron-counted MicroED data | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, Proteinase K | | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Hattne, J, Gonen, T. | | Deposit date: | 2021-10-21 | | Release date: | 2022-06-08 | | Last modified: | 2022-06-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | | Cite: | Ab initio phasing macromolecular structures using electron-counted MicroED data.
Nat.Methods, 19, 2022
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2ZBE
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2XRW
 | | Linear binding motifs for JNK and for calcineurin antagonistically control the nuclear shuttling of NFAT4 | | Descriptor: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 8, NUCLEAR FACTOR OF ACTIVATED T-CELLS, ... | | Authors: | Barkai, T, Toeoroe, I, Garai, A, Remenyi, A. | | Deposit date: | 2010-09-23 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
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5L7G
 | | MCR IN COMPLEX WITH ligand | | Descriptor: | 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ... | | Authors: | Edman, K, Aagaard, A, Backstrom, S, Xue, Y. | | Deposit date: | 2016-06-03 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
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3KAC
 | | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | | Descriptor: | 3-(1H-benzimidazol-2-yl)propanoic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | | Deposit date: | 2009-10-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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3K74
 | | Disruption of protein dynamics by an allosteric effector antibody | | Descriptor: | Dihydrofolate reductase, Nanobody | | Authors: | Oyen, D, Srinivasan, V, Steyaert, J, Barlow, J. | | Deposit date: | 2009-10-12 | | Release date: | 2010-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Constraining enzyme conformational change by an antibody leads to hyperbolic inhibition.
J.Mol.Biol., 407, 2011
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3Q8F
 | | Crystal structure of 2-Fluorohistine labeled Protective Antigen (pH 5.8) | | Descriptor: | CALCIUM ION, Protective antigen, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Battaile, K.P, Rajapaksha, M, Janowiak, B.E, Andra, K.K, Bann, J.G. | | Deposit date: | 2011-01-06 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2.
Protein Sci., 21, 2012
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3J3I
 | | Penicillium chrysogenum virus (PcV) capsid structure | | Descriptor: | Capsid protein | | Authors: | Luque, D, Gomez-Blanco, J, Garriga, D, Brilot, A, Gonzalez, J.M, Havens, W.H, Carrascosa, J.L, Trus, B.L, Verdaguer, N, Grigorieff, N, Ghabrial, S.A, Caston, J.R. | | Deposit date: | 2013-03-08 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM near-atomic structure of a dsRNA fungal virus shows ancient structural motifs preserved in the dsRNA viral lineage.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3J2P
 | | CryoEM structure of Dengue virus envelope protein heterotetramer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | | Authors: | Zhang, X, Ge, P, Yu, X, Brannan, J.M, Bi, G, Zhang, Q, Schein, S, Zhou, Z.H. | | Deposit date: | 2012-11-30 | | Release date: | 2012-12-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of the mature dengue virus at 3.5-A resolution.
Nat.Struct.Mol.Biol., 20, 2012
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1V8J
 | | The Crystal Structure of the Minimal Functional Domain of the Microtubule Destabilizer KIF2C Complexed with Mg-ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION | | Authors: | Ogawa, T, Nitta, R, Okada, Y, Hirokawa, N. | | Deposit date: | 2004-01-09 | | Release date: | 2004-03-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | A common mechanism for microtubule destabilizers-M type kinesins stabilize curling of the protofilament using the class-specific neck and loops.
Cell(Cambridge,Mass.), 116, 2004
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3J34
 | | Structure of HIV-1 Capsid Protein by Cryo-EM | | Descriptor: | capsid protein | | Authors: | Zhao, G, Perilla, J.R, Yufenyuy, E, Meng, X, Chen, B, Ning, J, Ahn, J, Gronenborn, A.M, Schulten, K, Aiken, C, Zhang, P. | | Deposit date: | 2013-02-23 | | Release date: | 2013-05-29 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (8.6 Å) | | Cite: | Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
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3JC2
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5FPS
 | | Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 3-aminobenzene-1,2-dicarboxylic acid (AT1246) in an alternate binding site. | | Descriptor: | 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX | | Authors: | Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Williams, P.A. | | Deposit date: | 2015-12-02 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1HM1
 | | THE SOLUTION NMR STRUCTURE OF A THERMALLY STABLE FAPY ADDUCT OF AFLATOXIN B1 IN AN OLIGODEOXYNUCLEOTIDE DUPLEX REFINED FROM DISTANCE RESTRAINED MOLECULAR DYNAMICS SIMULATED ANNEALING, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | DNA (5'-D(*CP*TP*AP*TP*(FAG)P*AP*TP*TP*CP*A)-3'), DNA (5'-D(TP*GP*AP*AP*TP*CP*AP*TP*AP*G)-3') | | Authors: | Mao, H, Deng, Z, Wang, F, Harris, T.M, Stone, M.P. | | Deposit date: | 1998-05-11 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An intercalated and thermally stable FAPY adduct of aflatoxin B1 in a DNA duplex: structural refinement from 1H NMR.
Biochemistry, 37, 1998
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5OOQ
 | | Structure of the Mtr4 Nop53 Complex | | Descriptor: | ATP-dependent RNA helicase DOB1, Ribosome biogenesis protein NOP53, SULFATE ION | | Authors: | Falk, S, Basquin, J, Conti, E. | | Deposit date: | 2017-08-08 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into the interaction of the nuclear exosome helicase Mtr4 with the preribosomal protein Nop53.
RNA, 23, 2017
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3K5U
 | | Identification, SAR Studies and X-ray Cocrystal Analysis of a Novel Furano-pyrimidine Aurora Kinase A Inhibitor | | Descriptor: | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL, Serine/threonine-protein kinase 6 | | Authors: | Wu, J.S, Leou, J.S, Coumar, M.S, Hsieh, H.P, Wu, S.Y. | | Deposit date: | 2009-10-08 | | Release date: | 2010-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Identification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor
Chemmedchem, 5, 2010
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