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6SC7
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BU of 6sc7 by Molmil
dAb3/HOIP-RBR-Ligand3
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
Authors:Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC6
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BU of 6sc6 by Molmil
dAb3/HOIP-RBR apo structure
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
Authors:Tsai, Y.-C.I, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC5
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BU of 6sc5 by Molmil
dAb3/HOIP-RBR-Ligand2
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
Authors:Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6T2J
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BU of 6t2j by Molmil
dAb3
Descriptor: PHOSPHATE ION, Single domain antibody
Authors:Tsai, Y.-C.I, House, D, Rittinger, K.
Deposit date:2019-10-08
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC9
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BU of 6sc9 by Molmil
dAb3/HOIP-RBR-HOIPIN-8
Descriptor: 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ...
Authors:Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6SC8
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BU of 6sc8 by Molmil
dAb3/HOIP-RBR-Ligand4
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
Authors:Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
Deposit date:2019-07-23
Release date:2019-11-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6GZY
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BU of 6gzy by Molmil
HOIP-fragment5 complex
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF31, SODIUM ION, ...
Authors:Johansson, H, Tsai, Y.C.I, Fantom, K, Chung, C.W, Martino, L, House, D, Rittinger, K.
Deposit date:2018-07-05
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Based Covalent Ligand Screening Enables Rapid Discovery of Inhibitors for the RBR E3 Ubiquitin Ligase HOIP.
J. Am. Chem. Soc., 141, 2019
4IXV
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BU of 4ixv by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 2d: {(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2013-01-28
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
4IXU
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BU of 4ixu by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2013-01-28
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
4IE1
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BU of 4ie1 by Molmil
Crystal structure of human Arginase-1 complexed with inhibitor 1h
Descriptor: Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.0006 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IE3
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BU of 4ie3 by Molmil
Crystal structure of human Arginase-2 complexed with inhbitor 1o
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3522 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IE2
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BU of 4ie2 by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 1h
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2082 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
3K22
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BU of 3k22 by Molmil
Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide
Descriptor: Glucocorticoid receptor, N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide, Transcriptional Intermediary Factor 2, ...
Authors:Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
Deposit date:2009-09-29
Release date:2010-08-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3K23
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BU of 3k23 by Molmil
Glucocorticoid Receptor with Bound D-prolinamide 11
Descriptor: 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
Deposit date:2009-09-29
Release date:2009-10-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
7A9U
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BU of 7a9u by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
Descriptor: 1,2-ETHANEDIOL, 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2020-09-02
Release date:2020-10-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands.
Angew.Chem.Int.Ed.Engl., 59, 2020

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