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7JYI
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BU of 7jyi by Molmil
Subparticle Map of ZIKV MR-766
Descriptor: E Glycoprotein, M protein
Authors:Jose, J, Hafenstein, S.
Deposit date:2020-08-30
Release date:2020-09-16
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Identification of a pocket factor that is critical to Zika virus assembly.
Nat Commun, 11, 2020
5ONI
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BU of 5oni by Molmil
LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
Descriptor: 1,4-BUTANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ...
Authors:Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
Deposit date:2017-08-03
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
3J0F
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BU of 3j0f by Molmil
Sindbis virion
Descriptor: Capsid protein, E1 envelope glycoprotein, E2 envelope glycoprotein
Authors:Tang, J, Jose, J, Zhang, W, Chipman, P, Kuhn, R.J, Baker, T.S.
Deposit date:2011-07-08
Release date:2011-10-12
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Molecular Links between the E2 Envelope Glycoprotein and Nucleocapsid Core in Sindbis Virus.
J.Mol.Biol., 414, 2011
4IB5
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BU of 4ib5 by Molmil
Structure of human protein kinase CK2 catalytic subunit in complex with a CK2beta-competitive cyclic peptide
Descriptor: CHLORIDE ION, CK2beta-derived cyclic peptide, Casein kinase II subunit alpha, ...
Authors:Raaf, J, Guerra, B, Neundorf, I, Bopp, B, Issinger, O.-G, Jose, J, Pietsch, M, Niefind, K.
Deposit date:2012-12-08
Release date:2013-03-20
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First structure of protein kinase CK2 catalytic subunit with an effective CK2 beta-competitive ligand
Acs Chem.Biol., 8, 2013
5N9L
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BU of 5n9l by Molmil
Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b)
Descriptor: (4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J.
Deposit date:2017-02-25
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors.
Pharmaceuticals, 11, 2018
5N9K
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BU of 5n9k by Molmil
Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF107 (5)
Descriptor: 1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J.
Deposit date:2017-02-25
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.643 Å)
Cite:A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors.
Pharmaceuticals, 11, 2018
5N9N
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BU of 5n9n by Molmil
Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF85 (4a)
Descriptor: (4~{Z})-7,9-bis(chloranyl)-4-[[(4-methoxyphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J.
Deposit date:2017-02-25
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors.
Pharmaceuticals, 11, 2018
5OOI
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BU of 5ooi by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
Descriptor: 1,2-ETHANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, ACETATE ION, ...
Authors:Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
Deposit date:2017-08-07
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
4UOM
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BU of 4uom by Molmil
Electron Cryo-microscopy of Venezuelan Equine Encephalitis Virus TC- 83 in complex with neutralizing antibody Fab F5
Descriptor: FAB FRAGMENT HEAVY CHAIN, FAB FRAGMENT LIGHT CHAIN
Authors:Porta, J, Jose, J, Roehrig, J.T, Blair, C.D, Kuhn, R.J, Rossmann, M.G.
Deposit date:2014-06-05
Release date:2014-10-15
Last modified:2017-08-23
Method:ELECTRON MICROSCOPY (17 Å)
Cite:Locking and Blocking the Viral Landscape of an Alphavirus with Neutralizing Antibodies.
J.Virol., 88, 2014
4UOK
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BU of 4uok by Molmil
Electron Cryo-microscopy of Venezuelan Equine Encephalitis Virus TC-83 in complex with neutralizing antibody Fab 3B4C-4
Descriptor: FAB FRAGMENT HEAVY CHAIN, FAB FRAGMENT LIGHT CHAIN
Authors:Porta, J, Jose, J, Roehrig, J.T, Blair, C.D, Kuhn, R.J, Rossmann, M.G.
Deposit date:2014-06-04
Release date:2014-09-17
Last modified:2019-05-29
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Locking and blocking the viral landscape of an alphavirus with neutralizing antibodies.
J.Virol., 88, 2014
6HBN
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BU of 6hbn by Molmil
HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Descriptor: 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Niefind, K, Hochscherf, J, Dimper, V, Witulski, B, Lindenblatt, D, Jose, J, Le Borgne, M.
Deposit date:2018-08-10
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HMD
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BU of 6hmd by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR AR18
Descriptor: 1,2-ETHANEDIOL, 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HMC
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BU of 6hmc by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Descriptor: 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Dimper, V, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HME
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BU of 6hme by Molmil
LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA; CSNK2A1 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27
Descriptor: 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HMQ
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BU of 6hmq by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
Authors:Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
6HMB
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BU of 6hmb by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 Gene product) IN COMPLEX WITH the inhibitor CX-4945 (Silmitasertib)
Descriptor: 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Applegate, V.M, Jose, J, Le Borgne, M.
Deposit date:2018-09-12
Release date:2019-03-27
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures.
Acs Omega, 4, 2019
7AT9
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BU of 7at9 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
Authors:Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
Deposit date:2020-10-29
Release date:2021-08-04
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7AT5
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BU of 7at5 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ...
Authors:Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
Deposit date:2020-10-29
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7ATV
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BU of 7atv by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ...
Authors:Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
Deposit date:2020-10-31
Release date:2021-08-04
Last modified:2022-02-09
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
7PSU
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BU of 7psu by Molmil
Structure of protein kinase CK2alpha mutant K198R associated with the Okur-Chung Neurodevelopmental Syndrome
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Werner, C, Gast, A, Lindenblatt, D, Nickelsen, K, Niefind, K, Jose, J, Hochscherf, J.
Deposit date:2021-09-23
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and Enzymological Evidence for an Altered Substrate Specificity in Okur-Chung Neurodevelopmental Syndrome Mutant CK2 alpha Lys198Arg.
Front Mol Biosci, 9, 2022
6TEW
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BU of 6tew by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 27
Descriptor: 1,2-ETHANEDIOL, 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A.
Deposit date:2019-11-12
Release date:2020-07-08
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.082 Å)
Cite:Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
6TEI
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BU of 6tei by Molmil
Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the 2-aminothiazole-type inhibitor 17
Descriptor: 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A.
Deposit date:2019-11-12
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
6TGU
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BU of 6tgu by Molmil
Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3
Descriptor: 1,2-ETHANEDIOL, 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A.
Deposit date:2019-11-18
Release date:2020-07-08
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (0.833 Å)
Cite:Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
5OMY
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BU of 5omy by Molmil
HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
Descriptor: 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K.
Deposit date:2017-08-02
Release date:2017-12-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
6TE2
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BU of 6te2 by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 17
Descriptor: 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha'
Authors:Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A.
Deposit date:2019-11-11
Release date:2020-07-08
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (0.922 Å)
Cite:Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020

 

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