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1M2Z
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BU of 1m2z by Molmil
Crystal structure of a dimer complex of the human glucocorticoid receptor ligand-binding domain bound to dexamethasone and a TIF2 coactivator motif
Descriptor: DEXAMETHASONE, glucocorticoid receptor, nuclear receptor coactivator 2, ...
Authors:Bledsoe, R.B, Montana, V.G, Stanley, T.B, Delves, C.J, Apolito, C.J, Mckee, D.D, Consler, T.G, Parks, D.J, Stewart, E.L, Willson, T.M, Lambert, M.H, Moore, J.T, Pearce, K.H, Xu, H.E.
Deposit date:2002-06-26
Release date:2003-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Reveals a Novel Mode of Receptor Dimerization and Coactivator Recognition
Cell(Cambridge,Mass.), 110, 2002
8CIR
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BU of 8cir by Molmil
The FERM domain of human moesin with a bound peptide identified by phage display
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ...
Authors:Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIS
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BU of 8cis by Molmil
The FERM domain of human moesin with two bound peptides identified by phage display
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, C3P, ...
Authors:Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8SWJ
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BU of 8swj by Molmil
Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
Descriptor: (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION
Authors:Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-05-18
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
To be published
2AA5
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BU of 2aa5 by Molmil
Mineralocorticoid Receptor with Bound Progesterone
Descriptor: Mineralocorticoid receptor, PROGESTERONE
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
2AAX
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BU of 2aax by Molmil
Mineralocorticoid Receptor Double Mutant with Bound Cortisone
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, Mineralocorticoid receptor, SULFATE ION
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-14
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
2AA7
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BU of 2aa7 by Molmil
Mineralocorticoid Receptor with Bound Deoxycorticosterone
Descriptor: DESOXYCORTICOSTERONE, GLYCEROL, Mineralocorticoid receptor, ...
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
2AA2
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BU of 2aa2 by Molmil
Mineralocorticoid Receptor with Bound Aldosterone
Descriptor: ALDOSTERONE, GLYCEROL, Mineralocorticoid receptor, ...
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
2AA6
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BU of 2aa6 by Molmil
Mineralocorticoid Receptor S810L Mutant with Bound Progesterone
Descriptor: Mineralocorticoid receptor, PROGESTERONE
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
2AB2
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BU of 2ab2 by Molmil
Mineralocorticoid Receptor Double Mutant with Bound Spironolactone
Descriptor: Mineralocorticoid receptor, SPIRONOLACTONE, SULFATE ION
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-14
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
4Z2A
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BU of 4z2a by Molmil
Crystal structure of unglycosylated apo human furin @1.89A
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Furin, ...
Authors:Gampe, R.T, Pearce, K, Reid, R.
Deposit date:2015-03-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:BacMam production and crystal structure of nonglycosylated apo human furin at 1.89A resolution
Acta Crystallogr.,Sect.F, 2019
6OCX
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BU of 6ocx by Molmil
Structure of human CIB1 in complex with peptide inhibitor UNC10245109
Descriptor: CALCIUM ION, Calcium and integrin-binding protein 1, Peptide inhibitor UNC10245109
Authors:Puhl, A.C, Godoy, A.S, Pearce, K.
Deposit date:2019-03-25
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Characterization of Peptide Inhibitors for Calcium and Integrin Binding Protein 1.
Acs Chem.Biol., 15, 2020
6OD0
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BU of 6od0 by Molmil
Structure of human CIB1 in complex with peptide inhibitor UNC10245092
Descriptor: CALCIUM ION, Calcium and integrin-binding protein 1, Peptide inhibitor UNC10245092
Authors:Puhl, A.C, Godoy, A.S, Pearce, K.
Deposit date:2019-03-25
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and Characterization of Peptide Inhibitors for Calcium and Integrin Binding Protein 1.
Acs Chem.Biol., 15, 2020
6TXS
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BU of 6txs by Molmil
The structure of the FERM domain and helical linker of human moesin bound to a CD44 peptide
Descriptor: CD44 antigen, Moesin
Authors:Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-14
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
6TXQ
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BU of 6txq by Molmil
The high resolution structure of the FERM domain and helical linker of human moesin
Descriptor: ACETATE ION, Moesin
Authors:Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-14
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
7UOA
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BU of 7uoa by Molmil
MAGEA4-MTP1 linear peptide complex
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MTP-1, ...
Authors:Williams, R.S, Tumbale, P.S.
Deposit date:2022-04-12
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery and Structural Basis of the Selectivity of Potent Cyclic Peptide Inhibitors of MAGE-A4.
J.Med.Chem., 65, 2022
7M5U
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BU of 7m5u by Molmil
Crystal structure of human MPP8 chromodomain in complex with peptidomimetic ligand UNC5246
Descriptor: M-phase phosphoprotein 8, UNC5246
Authors:Budziszewski, G.R, McGinty, R.K, Waybright, J.M, Norris, J.L, James, L.I.
Deposit date:2021-03-24
Release date:2021-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A Peptidomimetic Ligand Targeting the Chromodomain of MPP8 Reveals HRP2's Association with the HUSH Complex.
Acs Chem.Biol., 16, 2021
8CIT
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BU of 8cit by Molmil
The FERM domain of human moesin mutant L281R
Descriptor: Moesin
Authors:Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.536 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8CIU
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BU of 8ciu by Molmil
The FERM domain of human moesin mutant H288A
Descriptor: Moesin
Authors:Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
2POB
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BU of 2pob by Molmil
PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709
Descriptor: GLYCEROL, N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE, Peroxisome proliferator-activated receptor gamma
Authors:Nolte, R.T.
Deposit date:2007-04-26
Release date:2008-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cocrystal structure guided array synthesis of PPARgamma inverse agonists
BIOORG.MED.CHEM.LETT., 17, 2007
3FAL
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BU of 3fal by Molmil
humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186
Descriptor: 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L.
Deposit date:2008-11-17
Release date:2009-04-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
6M89
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BU of 6m89 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8D
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BU of 6m8d by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with diosmetin
Descriptor: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8B
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BU of 6m8b by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with kaempferol
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M88
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BU of 6m88 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with myricetin
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019

 

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