4B6O
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![BU of 4b6o by Molmil](/molmil-images/mine/4b6o) | Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid | Descriptor: | (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | Authors: | Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2012-08-14 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids. ACS Chem. Biol., 8, 2013
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4B0Y
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![BU of 4b0y by Molmil](/molmil-images/mine/4b0y) | Determination of X-ray Structure of human SOUL by Molecular Replacement | Descriptor: | HEME-BINDING PROTEIN 2 | Authors: | Freire, F, Carvalho, A.L, Aveiro, S.S, Charbonnier, P, Moulis, J.M, Romao, M.J, Goodfellow, B.J, Macedo, A.L. | Deposit date: | 2012-07-06 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Human Soul: A Heme-Binding or a Bh3 Domain-Containing Protein To be Published
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4AEJ
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![BU of 4aej by Molmil](/molmil-images/mine/4aej) | Crystal structure of Human fibrillar procollagen type III C- propeptide trimer | Descriptor: | CALCIUM ION, COLLAGEN ALPHA-1(III) CHAIN, GLYCEROL | Authors: | Bourhis, J.M, Mariano, N, Zhao, Y, Harlos, K, Jones, E.Y, Moali, C, Aghajari, N, Hulmes, D.J.S. | Deposit date: | 2012-01-11 | Release date: | 2012-09-12 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Basis of Fibrillar Collagen Trimerization and Related Genetic Disorders. Nat.Struct.Mol.Biol., 19, 2012
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408D
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![BU of 408d by Molmil](/molmil-images/mine/408d) | STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), IMIDAZOLE-PYRROLE POLYAMIDE | Authors: | Kielkopf, C.L, White, S, Szewczyk, J.W, Turner, J.M, Baird, E.E, Dervan, P.B, Rees, D.C. | Deposit date: | 1998-06-24 | Release date: | 1998-10-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA. Science, 282, 1998
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437D
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![BU of 437d by Molmil](/molmil-images/mine/437d) | CRYSTAL STRUCTURE OF AN RNA PSEUDOKNOT FROM BEET WESTERN YELLOW VIRUS INVOLVED IN RIBOSOMAL FRAMESHIFTING | Descriptor: | MAGNESIUM ION, RNA PSEUDOKNOT, SODIUM ION | Authors: | Su, L, Chen, L, Egli, M, Berger, J.M, Rich, A. | Deposit date: | 1998-11-24 | Release date: | 1998-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Minor groove RNA triplex in the crystal structure of a ribosomal frameshifting viral pseudoknot. Nat.Struct.Biol., 6, 1999
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433D
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465D
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![BU of 465d by Molmil](/molmil-images/mine/465d) | STRUCTURE OF THE TOPOISOMERASE II POISON BOUND TO DNA | Descriptor: | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Adams, A, Guss, J.M, Collyer, C.A, Denny, W.A, Wakelin, L.P. | Deposit date: | 1999-04-14 | Release date: | 1999-08-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the topoisomerase II poison 9-amino-[N-(2-dimethylamino)ethyl]acridine-4-carboxamide bound to the DNA hexanucleotide d(CGTACG)2. Biochemistry, 38, 1999
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4AAY
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![BU of 4aay by Molmil](/molmil-images/mine/4aay) | Crystal Structure of the arsenite oxidase protein complex from Rhizobium species strain NT-26 | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, AROA, AROB, ... | Authors: | Oke, M, Santini, J.M, Naismith, J.H. | Deposit date: | 2011-12-05 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Respiratory Arsenite Oxidase: Structure and the Role of Residues Surrounding the Rieske Cluster. Plos One, 8, 2013
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4AW2
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![BU of 4aw2 by Molmil](/molmil-images/mine/4aw2) | Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha) | Descriptor: | 1,2-ETHANEDIOL, 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate, SERINE/THREONINE-PROTEIN KINASE MRCK ALPHA | Authors: | Elkins, J.M, Muniz, J.R.C, Tan, I, Leung, T, Lafanechere, L, Prudent, R, Abdul Azeez, K, Szklarz, M, Phillips, C, Wang, J, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cdc42 Binding Protein Kinase Alpha (Mrck Alpha) To be Published
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4B02
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![BU of 4b02 by Molmil](/molmil-images/mine/4b02) | The C-terminal Priming Domain is Strongly Associated with the Main Body of Bacteriophage phi6 RNA-Dependent RNA Polymerase | Descriptor: | MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Sarin, L.P, Wright, S, Chen, Q, Degerth, L.H, Stuart, D.I, Grimes, J.M, Bamford, D.H, Poranen, M.M. | Deposit date: | 2012-06-27 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The C-Terminal Priming Domain is Strongly Associated with the Main Body of Bacteriophage Phi6 RNA-Dependent RNA Polymerase. Virology, 432, 2012
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4B6P
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![BU of 4b6p by Molmil](/molmil-images/mine/4b6p) | Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid | Descriptor: | (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | Authors: | Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2012-08-14 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids. ACS Chem. Biol., 8, 2013
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4AUC
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![BU of 4auc by Molmil](/molmil-images/mine/4auc) | Bovine chymosin in complex with Pepstatin A | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHYMOSIN, ... | Authors: | Langholm Jensen, J, Navarro Poulsen, J.C, Jacobsen, J, van den Brink, J.M, Qvist, K.B, Larsen, S. | Deposit date: | 2012-05-16 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Structure of Bovine Chymosin in Complex with Pepstatin A To be Published
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4BD2
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![BU of 4bd2 by Molmil](/molmil-images/mine/4bd2) | Bax domain swapped dimer in complex with BidBH3 | Descriptor: | APOPTOSIS REGULATOR BAX, BH3-INTERACTING DOMAIN DEATH AGONIST | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-04 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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4BLQ
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![BU of 4blq by Molmil](/molmil-images/mine/4blq) | P4 PROTEIN FROM BACTERIOPHAGE PHI8 | Descriptor: | P4 | Authors: | El Omari, K, Meier, C, Kainov, D, Sutton, G, Grimes, J.M, Poranen, M.M, Bamford, D.H, Tuma, R, Stuart, D.I, Mancini, E.J. | Deposit date: | 2013-05-04 | Release date: | 2013-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution. Nucleic Acids Res., 41, 2013
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4BIL
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![BU of 4bil by Molmil](/molmil-images/mine/4bil) | Threading model of the T7 large terminase within the gp8gp19 complex | Descriptor: | DNA MATURASE B | Authors: | Dauden, M.I, Martin-Benito, J, Sanchez-Ferrero, J.C, Pulido-Cid, M, Valpuesta, J.M, Carrascosa, J.L. | Deposit date: | 2013-04-10 | Release date: | 2013-05-08 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (29 Å) | Cite: | Large Terminase Conformational Change Induced by Connector Binding in Bacteriophage T7 J.Biol.Chem., 288, 2013
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1T27
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![BU of 1t27 by Molmil](/molmil-images/mine/1t27) | THE STRUCTURE OF PITP COMPLEXED TO PHOSPHATIDYLCHOLINE | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Phosphatidylinositol transfer protein alpha isoform | Authors: | Yoder, M.D, Thomas, L.M, Tremblay, J.M, Oliver, R.L, Yarbrough, L.R, Helmkamp Jr, G.M. | Deposit date: | 2004-04-20 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | STRUCTURE OF A MULTIFUNCTIONAL PROTEIN. MAMMALIAN PHOSPHATIDYLINOSITOL TRANSFER PROTEIN COMPLEXED WITH PHOSPHATIDYLCHOLINE J.Biol.Chem., 276, 2001
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4BIV
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![BU of 4biv by Molmil](/molmil-images/mine/4biv) | Crystal structure of CpxAHDC (trigonal form) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, SENSOR PROTEIN CPXA | Authors: | Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M. | Deposit date: | 2013-04-13 | Release date: | 2014-02-12 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation. Plos Biol., 12, 2014
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4BD6
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![BU of 4bd6 by Molmil](/molmil-images/mine/4bd6) | Bax domain swapped dimer in complex with BaxBH3 | Descriptor: | APOPTOSIS REGULATOR BAX | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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4AZE
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![BU of 4aze by Molmil](/molmil-images/mine/4aze) | Human DYRK1A in complex with Leucettine L41 | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2012-06-25 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4AW0
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![BU of 4aw0 by Molmil](/molmil-images/mine/4aw0) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
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4AZF
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![BU of 4azf by Molmil](/molmil-images/mine/4azf) | Human DYRK2 in complex with Leucettine L41 | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ... | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2012-06-25 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4B88
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4BKJ
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![BU of 4bkj by Molmil](/molmil-images/mine/4bkj) | Crystal structure of the human DDR1 kinase domain in complex with imatinib | Descriptor: | 1,2-ETHANEDIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-04-25 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors J.Mol.Biol., 426, 2014
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4BBB
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![BU of 4bbb by Molmil](/molmil-images/mine/4bbb) | THE STRUCTURE OF VACCINIA VIRUS N1 Q61Y MUTANT | Descriptor: | N1L | Authors: | Maluquer de Motes, C, Cooray, S, McGourty, K, Ren, H, Bahar, M.W, Stuart, D.I, Grimes, J.M, Graham, S.C, Smith, G.L. | Deposit date: | 2012-09-21 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Inhibition of Apoptosis and NF-kappaB Activation by Vaccinia Protein N1 Occur Via Distinct Binding Surfaces and Make Different Contributions to Virulence. Plos Pathog., 7, 2011
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4AW1
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![BU of 4aw1 by Molmil](/molmil-images/mine/4aw1) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
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