6ADY
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![BU of 6ady by Molmil](/molmil-images/mine/6ady) | Crystal structure of the Zika virus NS3 helicase (ADP-Mn2+ complex, form 2) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Serine protease NS3 | Authors: | Fang, J, Lu, G, Gong, P. | Deposit date: | 2018-08-02 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic Snapshots of the Zika Virus NS3 Helicase Help Visualize the Reactant Water Replenishment. ACS Infect Dis, 5, 2019
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6ADW
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![BU of 6adw by Molmil](/molmil-images/mine/6adw) | Crystal structure of the Zika virus NS3 helicase (apo form) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, Serine protease NS3 | Authors: | Fang, J, Lu, G, Gong, P. | Deposit date: | 2018-08-02 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic Snapshots of the Zika Virus NS3 Helicase Help Visualize the Reactant Water Replenishment. ACS Infect Dis, 5, 2019
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8WR2
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![BU of 8wr2 by Molmil](/molmil-images/mine/8wr2) | Crystal Structure of Human Pyridoxal Kinase with bound Luteolin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Fan, J, Zhu, Y. | Deposit date: | 2023-10-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase. Bioorg.Chem., 143, 2024
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4QXI
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![BU of 4qxi by Molmil](/molmil-images/mine/4qxi) | Crystal structure of human AR complexed with NADP+ and AK198 | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-amino-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Hobza, P, Podjarny, A.D. | Deposit date: | 2014-07-21 | Release date: | 2015-07-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.867 Å) | Cite: | The Effect of Halogen-to-Hydrogen Bond Substitution on Human Aldose Reductase Inhibition. Acs Chem.Biol., 10, 2015
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4LB3
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![BU of 4lb3 by Molmil](/molmil-images/mine/4lb3) | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LAZ
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![BU of 4laz by Molmil](/molmil-images/mine/4laz) | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LB4
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![BU of 4lb4 by Molmil](/molmil-images/mine/4lb4) | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LAU
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![BU of 4lau by Molmil](/molmil-images/mine/4lau) | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-20 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.843 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LBR
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![BU of 4lbr by Molmil](/molmil-images/mine/4lbr) | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-21 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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4LBS
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![BU of 4lbs by Molmil](/molmil-images/mine/4lbs) | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-21 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.76 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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5CVC
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![BU of 5cvc by Molmil](/molmil-images/mine/5cvc) | Structure of maize serine racemase | Descriptor: | MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, Serine racemase | Authors: | Song, Y, Zou, L, Fan, J. | Deposit date: | 2015-07-26 | Release date: | 2016-03-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structure of maize serine racemase with pyridoxal 5'-phosphate. Acta Crystallogr.,Sect.F, 72, 2016
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4CKG
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![BU of 4ckg by Molmil](/molmil-images/mine/4ckg) | Helical reconstruction of ACAP1(BAR-PH domain) decorated membrane tubules by cryo-electron microscopy | Descriptor: | ARF-GAP WITH COILED-COIL, ANK REPEAT AND PH DOMAIN-CONTAINING PROTEIN 1 | Authors: | Pang, X.Y, Fan, J, Zhang, Y, Zhang, K, Gao, B.Q, Ma, J, Li, J, Deng, Y.C, Zhou, Q.J, Hsu, V, Sun, F. | Deposit date: | 2014-01-06 | Release date: | 2014-10-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (15 Å) | Cite: | A Ph Domain in Acap1 Possesses Key Features of the Bar Domain in Promoting Membrane Curvature. Dev.Cell, 31, 2014
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4CKH
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![BU of 4ckh by Molmil](/molmil-images/mine/4ckh) | Helical reconstruction of ACAP1(BAR-PH domain) decorated membrane tubules by cryo-electron microscopy | Descriptor: | ARF-GAP WITH COILED-COIL, ANK REPEAT AND PH DOMAIN-CONTAINING PROTEIN 1 | Authors: | Pang, X.Y, Fan, J, Zhang, Y, Zhang, K, Gao, B.Q, Ma, J, Li, J, Deng, Y.C, Zhou, Q.J, Hsu, V, Sun, F. | Deposit date: | 2014-01-06 | Release date: | 2014-10-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (17 Å) | Cite: | A Ph Domain in Acap1 Possesses Key Features of the Bar Domain in Promoting Membrane Curvature. Dev.Cell, 31, 2014
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8SQF
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![BU of 8sqf by Molmil](/molmil-images/mine/8sqf) | OXA-48 bound to inhibitor CDD-2725 | Descriptor: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2023-05-04 | Release date: | 2024-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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8SQG
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![BU of 8sqg by Molmil](/molmil-images/mine/8sqg) | OXA-48 bound to inhibitor CDD-2801 | Descriptor: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | Deposit date: | 2023-05-04 | Release date: | 2024-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
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2I85
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![BU of 2i85 by Molmil](/molmil-images/mine/2i85) | |
6QJP
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![BU of 6qjp by Molmil](/molmil-images/mine/6qjp) | Cryo-EM structure of heparin-induced 2N4R tau jagged filaments | Descriptor: | Microtubule-associated protein tau | Authors: | Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2019-01-24 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases. Elife, 8, 2019
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6QJH
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![BU of 6qjh by Molmil](/molmil-images/mine/6qjh) | Cryo-EM structure of heparin-induced 2N4R tau snake filaments | Descriptor: | Microtubule-associated protein tau | Authors: | Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2019-01-24 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases. Elife, 8, 2019
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6QJM
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![BU of 6qjm by Molmil](/molmil-images/mine/6qjm) | Cryo-EM structure of heparin-induced 2N4R tau twister filaments | Descriptor: | Microtubule-associated protein tau | Authors: | Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2019-01-24 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases. Elife, 8, 2019
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6QJQ
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![BU of 6qjq by Molmil](/molmil-images/mine/6qjq) | Cryo-EM structure of heparin-induced 2N3R tau filaments | Descriptor: | Microtubule-associated protein tau | Authors: | Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2019-01-24 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases. Elife, 8, 2019
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3BS8
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![BU of 3bs8 by Molmil](/molmil-images/mine/3bs8) | Crystal structure of Glutamate 1-Semialdehyde Aminotransferase complexed with pyridoxamine-5'-phosphate From Bacillus subtilis | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase | Authors: | Ge, H, Fan, J, Teng, M, Niu, L. | Deposit date: | 2007-12-22 | Release date: | 2008-12-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Glutamate1-semialdehyde aminotransferase from Bacillus subtilis with bound pyridoxamine-5'-phosphate Biochem.Biophys.Res.Commun., 402, 2010
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5H3D
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![BU of 5h3d by Molmil](/molmil-images/mine/5h3d) | Helical structure of membrane tubules decorated by ACAP1 (BARPH doamin) protein by cryo-electron microscopy and MD simulation | Descriptor: | Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1 | Authors: | Chan, C, Pang, X.Y, Zhang, Y, Sun, F, Fan, J. | Deposit date: | 2016-10-22 | Release date: | 2019-01-16 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages. Plos Comput.Biol., 15, 2019
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3R22
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![BU of 3r22 by Molmil](/molmil-images/mine/3r22) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | Descriptor: | N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | Deposit date: | 2011-03-11 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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3R21
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![BU of 3r21 by Molmil](/molmil-images/mine/3r21) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | Descriptor: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | Deposit date: | 2011-03-11 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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5JQM
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![BU of 5jqm by Molmil](/molmil-images/mine/5jqm) | Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 Void of Bound Phospholipid from Saccharomyces Cerevisiae at 1.5 Angstroms Resolution | Descriptor: | Protein UPS1, mitochondrial,Mitochondrial distribution and morphology protein 35 | Authors: | Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F. | Deposit date: | 2016-05-05 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular mechanism of mitochondrial phosphatidate transfer by Ups1 Commun Biol, 2020
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