5MNX
 
 | | Neutron structure of cationic trypsin in complex with 2-aminopyridine | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | NEUTRON DIFFRACTION (1.42 Å) | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MO2
 | | Neutron structure of cationic trypsin in complex with N-amidinopiperidine | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | NEUTRON DIFFRACTION (1.5 Å) | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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5MO8
 | | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | | Descriptor: | 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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2X53
 | | Structure of the phage p2 baseplate in its activated conformation with Sr | | Descriptor: | ORF15, ORF16, PUTATIVE RECEPTOR BINDING PROTEIN, ... | | Authors: | Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C. | | Deposit date: | 2010-02-05 | | Release date: | 2010-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6HBH
 | | Echovirus 18 A-particle | | Descriptor: | Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3 | | Authors: | Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P. | | Deposit date: | 2018-08-10 | | Release date: | 2019-03-20 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Enterovirus particles expel capsid pentamers to enable genome release.
Nat Commun, 10, 2019
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2XAM
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ... | | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5MFR
 | | The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-5,7,8,9-tetrahydrobenzocyclohepten-6-one | | Descriptor: | Aminopeptidase N, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Peng, G, Olieric, V, McEwen, A.G, Schmitt, C, Albrecht, S, Cavarelli, J, Tarnus, C. | | Deposit date: | 2016-11-18 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insight into the remarkable affinity and selectivity of the aminobenzosuberone scaffold for the M1 aminopeptidases family based on structure analysis.
Proteins, 85, 2017
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2WRB
 | | the structure of influenza H2 human singapore hemagglutinin with avian receptor | | Descriptor: | HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid | | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2009-09-01 | | Release date: | 2009-09-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
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5MGH
 | | Crystal structure of pathogenic mutants of human mitochodnrial PheRS | | Descriptor: | PHENYLALANINE, Phenylalanine--tRNA ligase, mitochondrial | | Authors: | Kartvelishvili, E, Tworowski, D, Vernon, H, Chrzanowska-Lightowlers, Z, Moor, N, Wang, J, Wong, L.-J, Safro, M. | | Deposit date: | 2016-11-21 | | Release date: | 2017-05-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Kinetic and structural changes in HsmtPheRS, induced by pathogenic mutations in human FARS2.
Protein Sci., 26, 2017
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6HYD
 | | Rea1 Wild type ADP state (tail part) | | Descriptor: | Midasin,Midasin,Midasin | | Authors: | Sosnowski, P, Urnavicius, L, Boland, A, Fagiewicz, R, Busselez, J, Papai, G, Schmidt, H. | | Deposit date: | 2018-10-19 | | Release date: | 2018-12-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | The CryoEM structure of the Saccharomyces cerevisiae ribosome maturation factor Rea1.
Elife, 7, 2018
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2X2R
 | | Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((4-chlorophenyl)diphenylmethylthio)propanoic acid | | Descriptor: | (2R)-2-AMINO-3-[(2R)-2-METHYL-1,1-DIPHENYL-BUTYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F. | | Deposit date: | 2010-01-15 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
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1D1O
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5MJ3
 | | INTERLEUKIN-23 COMPLEX WITH AN ANTAGONISTIC ALPHABODY, CRYSTAL FORM 1 | | Descriptor: | ALPHABODY MA12, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | | Authors: | Desmet, J, Verstraete, K, Bloch, Y, Lorent, E, Wen, Y, Devreese, B, Vandenbroucke, K, Loverix, S, Hettmann, T, Deroo, S, Somers, K, Hendrikx, P, Lasters, I, Savvides, S.N. | | Deposit date: | 2016-11-29 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural Basis Of Il-23 Antagonism By An Alphabody Protein Scaffold.
Nat Commun, 5, 2014
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2X4D
 | | Crystal structure of human phospholysine phosphohistidine inorganic pyrophosphate phosphatase LHPP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Vollmar, M, Gileadi, C, Guo, K, Savitsky, P, Muniz, J.R.C, Yue, W, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U. | | Deposit date: | 2010-01-29 | | Release date: | 2010-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal Structure of Human Phospholysine Phosphohistidine Inorganic Pyrophosphate Phosphatase Lhpp
To be Published
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5MKD
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5NOA
 | | Polysaccharide Lyase BACCELL_00875 | | Descriptor: | Family 88 glycosyl hydrolase | | Authors: | Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2017-04-11 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins.
J. Biol. Chem., 292, 2017
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2XAZ
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6HGS
 | | Crystal Structure of Human APRT wild type in complex with GMP | | Descriptor: | Adenine phosphoribosyltransferase, GUANOSINE-5'-MONOPHOSPHATE | | Authors: | Nioche, P, Huyet, J, Ozeir, M. | | Deposit date: | 2018-08-23 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis for substrate selectivity and nucleophilic substitution mechanisms in human adenine phosphoribosyltransferase catalyzed reaction.
J.Biol.Chem., 294, 2019
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5M8J
 | | Crystal structure of Eremococcus coleocola manganese transporter mutant H236A | | Descriptor: | Divalent metal cation transporter MntH | | Authors: | Manatschal, C, Ehrnstorfer, I.A, Arnold, F.M, Laederach, J, Dutzler, R. | | Deposit date: | 2016-10-29 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural and mechanistic basis of proton-coupled metal ion transport in the SLC11/NRAMP family.
Nat Commun, 8, 2017
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6HHC
 | | Allosteric Inhibition as a new mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated form of Coagulation Factor XI | | Descriptor: | Coagulation factor XI, DIMETHYL SULFOXIDE, FXIA ANTIBODY FAB HEAVY CHAIN, ... | | Authors: | Schaefer, M, Buchmueller, A, Dittmer, F, Strassburger, J, Wilmen, A. | | Deposit date: | 2018-08-27 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Allosteric Inhibition as a New Mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated Form of Coagulation Factor XI.
J.Mol.Biol., 431, 2019
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5MUY
 | | Structure of a C-terminal domain of a reptarenavirus L protein with m7GTP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, L protein | | Authors: | Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural insights into reptarenavirus cap-snatching machinery.
PLoS Pathog., 13, 2017
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5M95
 | | STAPHYLOCOCCUS CAPITIS DIVALENT METAL ION TRANSPORTER (DMT) IN COMPLEX WITH MANGANESE | | Descriptor: | CAMELID ANTIBODY FRAGMENT, NANOBODY, Divalent metal cation transporter MntH, ... | | Authors: | Ehrnstorfer, I.A, Geertsma, E.R, Pardon, E, Steyaert, J, Dutzler, R. | | Deposit date: | 2016-10-31 | | Release date: | 2016-11-30 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal Structure Of A Slc11 (Nramp) Transporter Reveals The Basis For Transition-Metal Ion Transport.
Nat.Struct.Mol.Biol., 21, 2014
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2XAN
 | | inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with AMP PNP and IP5 | | Descriptor: | INOSITOL-PENTAKISPHOSPHATE 2-KINASE, MAGNESIUM ION, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, ... | | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | | Deposit date: | 2010-03-31 | | Release date: | 2010-05-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6HWM
 | | Structure of Thermus thermophilus ClpP in complex with bortezomib | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, DI(HYDROXYETHYL)ETHER, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | | Authors: | Felix, J, Schanda, P, Fraga, H, Morlot, C. | | Deposit date: | 2018-10-12 | | Release date: | 2019-09-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 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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5MDN
 | | Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis | | Descriptor: | DNA polymerase, MAGNESIUM ION | | Authors: | Guo, J, Zhang, W, Coker, A.R, Wood, S.P, Cooper, J.B, Rashid, N, Akhtar, M. | | Deposit date: | 2016-11-12 | | Release date: | 2016-12-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
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