6EIU
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![BU of 6eiu by Molmil](/molmil-images/mine/6eiu) | Crystal structure of KDM5B in complex with KDOPZ29a | Descriptor: | 1,2-ETHANEDIOL, 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-19 | Release date: | 2018-05-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of KDM5B in complex with KDOPZ29a. to be published
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6PE6
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![BU of 6pe6 by Molmil](/molmil-images/mine/6pe6) | PANK3 complex structure with compound PZ-3022 | Descriptor: | 6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2019-06-20 | Release date: | 2020-12-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pantothenate kinase activation relieves coenzyme A sequestration and improves mitochondrial function in mice with propionic acidemia. Sci Transl Med, 13, 2021
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2NZ2
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![BU of 2nz2 by Molmil](/molmil-images/mine/2nz2) | Crystal structure of human argininosuccinate synthase in complex with aspartate and citrulline | Descriptor: | ASPARTIC ACID, Argininosuccinate synthase, CITRULLINE, ... | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-22 | Release date: | 2006-12-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human argininosuccinate synthetase. Acta Crystallogr.,Sect.D, 64, 2008
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1XLR
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![BU of 1xlr by Molmil](/molmil-images/mine/1xlr) | CHORISMATE LYASE WITH INHIBITOR VANILLATE | Descriptor: | 4-HYDROXY-3-METHOXYBENZOATE, Chorismate--pyruvate lyase | Authors: | Gallagher, D.T, Smith, N. | Deposit date: | 2004-09-30 | Release date: | 2004-11-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural analysis of ligand binding and catalysis in chorismate lyase. Arch.Biochem.Biophys., 445, 2006
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2O0O
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![BU of 2o0o by Molmil](/molmil-images/mine/2o0o) | Crystal structure of TL1A | Descriptor: | MAGNESIUM ION, TNF superfamily ligand TL1A | Authors: | Jin, T.C, Kim, S, Guo, F, Howard, A.J, Zhang, Y.Z. | Deposit date: | 2006-11-27 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray crystal structure of TNF ligand family member TL1A at 2.1A. Biochem.Biophys.Res.Commun., 364, 2007
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2VPJ
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![BU of 2vpj by Molmil](/molmil-images/mine/2vpj) | Crystal structure of the Kelch domain of human KLHL12 | Descriptor: | ACETATE ION, KELCH-LIKE PROTEIN 12 | Authors: | Keates, T, Pike, A.C.W, Bullock, A.N, Salah, E, Filippakopoulos, P, Roos, A.K, von Delft, F, Savitsky, P, Weigelt, J, Edwards, A, Arrowsmith, C.H, Bountra, C, Knapp, S. | Deposit date: | 2008-02-29 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases. J.Biol.Chem., 288, 2013
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2V1X
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![BU of 2v1x by Molmil](/molmil-images/mine/2v1x) | Crystal structure of human RECQ-like DNA helicase | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT DNA HELICASE Q1, ... | Authors: | Pike, A.C.W, Shrestha, B, Burgess-Brown, N, King, O, Ugochukwu, E, Watt, S, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Gileadi, O. | Deposit date: | 2007-05-30 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Human Recq1 Helicase Reveals a Putative Strand-Separation Pin. Proc.Natl.Acad.Sci.USA, 106, 2009
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2WYA
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![BU of 2wya by Molmil](/molmil-images/mine/2wya) | CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL 3-HYDROXY-3-METHYLGLUTARYL- COENZYME A SYNTHASE 2 (HMGCS2) | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, GLYCEROL, HYDROXYMETHYLGLUTARYL-COA SYNTHASE, ... | Authors: | Yue, W.W, Shafqat, N, Savitsky, P, Roos, A.K, Cooper, C, Murray, J.W, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2009-11-13 | Release date: | 2009-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of Human Hmg-Coa Synthase Isoforms Provide Insights Into Inherited Ketogenesis Disorders and Inhibitor Design. J.Mol.Biol., 398, 2010
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2PQF
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![BU of 2pqf by Molmil](/molmil-images/mine/2pqf) | Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment in complex with an inhibitor 3-Aminobenzoic acid | Descriptor: | 3-AMINOBENZOIC ACID, CITRIC ACID, Poly [ADP-ribose] polymerase 12 | Authors: | Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-02 | Release date: | 2007-05-15 | Last modified: | 2015-04-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein. J.Biol.Chem., 290, 2015
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2PFS
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![BU of 2pfs by Molmil](/molmil-images/mine/2pfs) | Crystal structure of universal stress protein from Nitrosomonas europaea | Descriptor: | CHLORIDE ION, Universal stress protein | Authors: | Chruszcz, M, Evdokimova, E, Cymborowski, M, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-04-05 | Release date: | 2007-05-08 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and functional insight into the universal stress protein family. Evol Appl, 6, 2013
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5VWV
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![BU of 5vwv by Molmil](/molmil-images/mine/5vwv) | Bak core latch dimer in complex with Bim-BH3 - Cubic | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VX2
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![BU of 5vx2 by Molmil](/molmil-images/mine/5vx2) | Mcl-1 in complex with Bim-h3Pc-RT | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera | Authors: | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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2VAG
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![BU of 2vag by Molmil](/molmil-images/mine/2vag) | Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate | Authors: | Pike, A.C.W, Bullock, A.N, Fedorov, O, Pilka, E.S, Ugochukwu, E, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Huber, K, Bracher, F, Knapp, S. | Deposit date: | 2007-08-31 | Release date: | 2007-10-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing. Chem.Biol, 18, 2011
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1YLI
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![BU of 1yli by Molmil](/molmil-images/mine/1yli) | |
5VX1
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![BU of 5vx1 by Molmil](/molmil-images/mine/5vx1) | Bak L100A | Descriptor: | Bcl-2 homologous antagonist/killer | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.224 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VX0
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![BU of 5vx0 by Molmil](/molmil-images/mine/5vx0) | Bak in complex with Bim-h3Glg | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | Authors: | Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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5VWW
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![BU of 5vww by Molmil](/molmil-images/mine/5vww) | Bak core latch dimer in complex with Bim-RT - Tetragonal | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BROMIDE ION, Bcl-2 homologous antagonist/killer, ... | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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2UV2
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![BU of 2uv2 by Molmil](/molmil-images/mine/2uv2) | Crystal Structure Of Human Ste20-Like Kinase Bound To 4-(4-(5- Cyclopropyl-1H-pyrazol-3-ylamino)-quinazolin-2-ylamino)-phenyl)- acetonitrile | Descriptor: | 1,2-ETHANEDIOL, STE20-LIKE SERINE-THREONINE KINASE, THIOCYANATE ION, ... | Authors: | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, Debreczeni, J.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2007-03-08 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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5W62
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![BU of 5w62 by Molmil](/molmil-images/mine/5w62) | Crystal structure of mouse BAX monomer | Descriptor: | Apoptosis regulator BAX, SULFATE ION | Authors: | Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S. | Deposit date: | 2017-06-16 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Ensemble Properties of Bax Determine Its Function. Structure, 26, 2018
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3TNJ
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![BU of 3tnj by Molmil](/molmil-images/mine/3tnj) | Crystal structure of universal stress protein from Nitrosomonas europaea with AMP bound | Descriptor: | ADENOSINE MONOPHOSPHATE, Universal stress protein (Usp) | Authors: | Tkaczuk, K.L, Chruszcz, M, Shumilin, I.A, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-09-01 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional insight into the universal stress protein family. Evol Appl, 6, 2013
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1YV5
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![BU of 1yv5 by Molmil](/molmil-images/mine/1yv5) | Human farnesyl diphosphate synthase complexed with Mg and risedronate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION, ... | Authors: | Kavanagh, K.L, Guo, K, Von Delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-02-15 | Release date: | 2005-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs. Proc.Natl.Acad.Sci.USA, 103, 2006
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1ZW5
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![BU of 1zw5 by Molmil](/molmil-images/mine/1zw5) | X-ray structure of Farnesyl diphosphate synthase protein | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, ZOLEDRONIC ACID, ... | Authors: | Kavanagh, K.L, Guo, K, Wu, X, von Delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-03 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs. Proc.Natl.Acad.Sci.USA, 103, 2006
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2AHC
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![BU of 2ahc by Molmil](/molmil-images/mine/2ahc) | Chorismate lyase with inhibitor Vanilate | Descriptor: | 4-HYDROXY-3-METHOXYBENZOATE, Chorismate lyase | Authors: | Gallagher, D.T, Smith, N.N. | Deposit date: | 2005-07-27 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural analysis of ligand binding and catalysis in chorismate lyase Arch.Biochem.Biophys., 445, 2006
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1YQ7
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![BU of 1yq7 by Molmil](/molmil-images/mine/1yq7) | Human farnesyl diphosphate synthase complexed with risedronate | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthetase, MAGNESIUM ION, ... | Authors: | Kavanagh, K.L, Guo, K, Von delft, F, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2005-02-01 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human farnesyl diphosphate complexed with clinical inhibitor risedronate To be Published
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4GW8
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![BU of 4gw8 by Molmil](/molmil-images/mine/4gw8) | Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41 | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, Consensus peptide (Pimtide), ... | Authors: | Filippakopoulos, P, Bullock, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-01 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selectivity, cocrystal 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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