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PDB: 119 results

5FV3
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BU of 5fv3 by Molmil
Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FZB
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Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4-Pyridylthiourea (N06275b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 1-pyridin-4-ylthiourea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-12
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4-Pyridylthiourea (N06275B) (Ligand Modelled Based on Pandda Event Map, Sgc -Diamond I04-1 Fragment Screening)
To be Published
6BN8
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BU of 6bn8 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET55 PROTAC.
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.990035 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
5FZO
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BU of 5fzo by Molmil
Crystal structure of the catalytic domain of human JmjD1C
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Nowak, R, Talon, R, Krojer, T, Goubin, S, McDonough, M, Fairhead, M, Oppermann, U, Johansson, C.
Deposit date:2016-03-15
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jmjd1C
To be Published
5FY8
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BU of 5fy8 by Molmil
Crystal structure of human JMJD2A in complex with D-threo-isocitrate
Descriptor: 1,2-ETHANEDIOL, 3-carboxy-2,3-dideoxy-D-erythro-pentaric acid, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2016-03-04
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Crystal Structure of Human Jmjd2A in Complex with D-Threo-Isocitrate
To be Published
5FZF
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BU of 5fzf by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3962
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3962
To be Published
5FZG
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BU of 5fzg by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3948
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Srikannathasan, V, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3948
To be Published
5FY1
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BU of 5fy1 by Molmil
Crystal structure of JmjC domain of human histone demethylase UTY in complex with N08619b
Descriptor: 1,2-ETHANEDIOL, 2-hydroxybenzonitrile, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Pearce, N.M, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2016-03-03
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with N08619B
To be Published
5FZE
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BU of 5fze by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3960
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3960
To be Published
7LPS
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BU of 7lps by Molmil
Crystal structure of DDB1-CRBN-ALV1 complex bound to Helios (IKZF2 ZF2)
Descriptor: 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, Fischer, E.S.
Deposit date:2021-02-12
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Acute pharmacological degradation of Helios destabilizes regulatory T cells.
Nat.Chem.Biol., 17, 2021
6BOY
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BU of 6boy by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET6 PROTAC.
Descriptor: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide, Bromodomain-containing protein 4, DNA damage-binding protein 1, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-21
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BN9
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BU of 6bn9 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET70 PROTAC
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.382 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BNB
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BU of 6bnb by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET57 PROTAC
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Ishoey, M, He, Z, Zhang, T, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (6.343 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BN7
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BU of 6bn7 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC.
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
5FUP
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BU of 5fup by Molmil
Crystal structure of human JARID1B in complex with 2-oxoglutarate.
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2016-01-28
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
5FZK
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BU of 5fzk by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment N,3-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5- carboxamide (N10051a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, Collins, P, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-14
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment N,3-Dimethyl-N-(Pyridin-3-Ylmethyl)-1,2-Oxazole-5-Carboxamide (N10051A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZ4
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BU of 5fz4 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment (3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (N10057a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Pearce, N, Talon, R, Collins, P, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-10
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10057A
To be Published
5FZC
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BU of 5fzc by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-14
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZL
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BU of 5fzl by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-14
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 3-Methyl-N-Pyridin-4-Yl-1,2-Oxazole-5-Carboxamide (N09954A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZ6
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BU of 5fz6 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment N05859b (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-CARBOXYPIPERIDINE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-11
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment N05859B (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZ3
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BU of 5fz3 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 3,6-Dihydroxybenzonorbornane (N08776b) (ligand modelled based on PANDDA event map)
Descriptor: (1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Pearce, N, Talon, R, Collins, P, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-10
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N08776B
To be Published
5FZ7
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BU of 5fz7 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment ethyl 2-amino-4-thiophen-2-ylthiophene-3- carboxylate (N06131b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-11
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Ethyl 2-Amino-4-Thiophen-2-Ylthiophene-3-Carboxylate (N06131B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZM
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BU of 5fzm by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid (N09989b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 5-(2-Fluorophenyl)-1,3-Oxazole-4-Carboxylic Acid (N09989B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZ9
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BU of 5fz9 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment thieno(3,2-b)thiophene-5-carboxylic acid (N06263b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-12
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Thieno(3,2-B)Thiophene -5-Carboxylic Acid (N06263B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZH
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BU of 5fzh by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-14
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published

225158

PDB entries from 2024-09-18

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