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4AWL
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BU of 4awl by Molmil
The NF-Y transcription factor is structurally and functionally a sequence specific histone
Descriptor: HSP70 PROMOTER FRAGMENT, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT ALPHA, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT BETA, ...
Authors:Nardini, M, Gnesutta, N, Donati, G, Gatta, R, Forni, C, Fossati, A, Vonrhein, C, Moras, D, Romier, C, Mantovani, R, Bolognesi, M.
Deposit date:2012-06-04
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Sequence-Specific Transcription Factor NF-Y Displays Histone-Like DNA Binding and H2B-Like Ubiquitination.
Cell(Cambridge,Mass.), 152, 2013
7KDZ
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BU of 7kdz by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to TP-238
Descriptor: 1,2-ETHANEDIOL, 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Chan, A, Schonbrunn, E.
Deposit date:2020-10-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development
Organic & Biomolecular Chemistry, 18(27), 2020
8H6P
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BU of 8h6p by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
Descriptor: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Ren, X.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8HBD
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BU of 8hbd by Molmil
Cryo-EM structure of IRL1620-bound ETBR-Gi complex
Descriptor: Endothelin receptor type B,Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yuan, Q, Ji, Y, Jiang, Y, Duan, J, Xu, H.E.
Deposit date:2022-10-28
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCX
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BU of 8hcx by Molmil
Cryo-EM structure of Endothelin1-bound ETBR-Gq complex
Descriptor: Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
2FUU
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BU of 2fuu by Molmil
NMR solution structure of the PHD domain from the human BPTF in complex with H3(1-15)K4me3 peptide
Descriptor: Histone H3, ZINC ION, bromodomain PHD finger transcription factor
Authors:Ilin, S, Patel, D.J.
Deposit date:2006-01-27
Release date:2006-07-11
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Molecular basis for site-specific read-out of histone H3K4me3 by the BPTF PHD finger of NURF.
Nature, 442, 2006
8FC8
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BU of 8fc8 by Molmil
Cryo-EM structure of the human TRPV4 in complex with GSK1016790A
Descriptor: CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
7KDW
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BU of 7kdw by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 6 (HZ01052)
Descriptor: 1,2-ETHANEDIOL, Nucleosome-remodeling factor subunit BPTF, cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone
Authors:Chan, A, Schonbrunn, E.
Deposit date:2020-10-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development
Organic and Biomolecular Chemistry, 18(27), 2020
5D1C
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BU of 5d1c by Molmil
Crystal structure of D233G-Y306F HDAC8 in complex with a tetrapeptide substrate
Descriptor: GLYCEROL, HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, ...
Authors:Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2015-08-04
Release date:2015-10-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.422 Å)
Cite:Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
7JVV
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BU of 7jvv by Molmil
Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate
Descriptor: 1,2-ETHANEDIOL, ACE-ARG-HIS-ALY-ALY-MCM, GLYCEROL, ...
Authors:Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M.
Deposit date:2020-08-24
Release date:2020-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
7JVU
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BU of 7jvu by Molmil
Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA
Descriptor: 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ...
Authors:Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M.
Deposit date:2020-08-24
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5004766 Å)
Cite:Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
6BVA
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BU of 6bva by Molmil
Ubiquitin Variant (UbV.Fl10.1) bound to a human Skp1-Fbl10 fragment complex.
Descriptor: Lysine-specific demethylase 2B, Polyubiquitin-B, S-phase kinase-associated protein 1
Authors:Manczyk, N, Sicheri, F.
Deposit date:2017-12-12
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
6BYH
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BU of 6byh by Molmil
Ubiquitin Variant (UbV.Fl11.1) bound to a human Skp1-Fbl11 fragment complex.
Descriptor: Lysine-specific demethylase 2A, Polyubiquitin-B, S-phase kinase-associated protein 1
Authors:Manczyk, N, Sicheri, F.
Deposit date:2017-12-20
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:A Structure-Based Strategy for Engineering Selective Ubiquitin Variant Inhibitors of Skp1-Cul1-F-Box Ubiquitin Ligases.
Structure, 26, 2018
8FCA
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BU of 8fca by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with 4alpha-Phorbol 12,13-didecanoate
Descriptor: (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily V member 4
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
7K6R
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BU of 7k6r by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to GSK4027
Descriptor: 1,2-ETHANEDIOL, 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
Authors:Chan, A, Schonbrunn, E.
Deposit date:2020-09-21
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
7N0A
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BU of 7n0a by Molmil
Structure of Human Leukaemia Inhibitory Factor with Fab MSC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Leukemia inhibitory factor, ...
Authors:Raman, S, Bosch, A, Fransson, J, Julien, J.P.
Deposit date:2021-05-25
Release date:2022-06-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Therapeutic Targeting of LIF Overcomes Macrophage-mediated Immunosuppression of the Local Tumor Microenvironment.
Clin.Cancer Res., 29, 2023
8HBW
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BU of 8hbw by Molmil
Structure of human UCP1 in the ATP-bound state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CARDIOLIPIN, ...
Authors:Chen, L, Kang, Y.
Deposit date:2022-10-31
Release date:2023-06-21
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structural basis for the binding of DNP and purine nucleotides onto UCP1.
Nature, 620, 2023
7JSA
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BU of 7jsa by Molmil
Crystal structure of the DNA binding domain of human transcription factor ERF in the reduced form, in complex with double-stranded DNA ACCGGAAGTG
Descriptor: DNA (5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*T)-3'), ETS domain-containing transcription factor ERF
Authors:Hou, C, Tsodikov, O.V.
Deposit date:2020-08-14
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Insight into the DNA Binding Function of Transcription Factor ERF.
Biochemistry, 2020
8HBV
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BU of 8hbv by Molmil
Structure of human UCP1 in the nucleotide-free state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, Mitochondrial brown fat uncoupling protein 1, ...
Authors:Chen, L, Kang, Y.
Deposit date:2022-10-31
Release date:2023-06-21
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Structural basis for the binding of DNP and purine nucleotides onto UCP1.
Nature, 620, 2023
7K6S
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BU of 7k6s by Molmil
Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174)
Descriptor: (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Chan, A, Schonbrunn, E.
Deposit date:2020-09-21
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development.
Org.Biomol.Chem., 18, 2020
7JVW
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BU of 7jvw by Molmil
Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M.
Deposit date:2020-08-24
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.40301776 Å)
Cite:Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
4O1Y
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BU of 4o1y by Molmil
Crystal structure of Porcine Pancreatic Phospholipase A2 in complex with 1-Naphthaleneacetic acid
Descriptor: CALCIUM ION, NAPHTHALEN-1-YL-ACETIC ACID, Phospholipase A2, ...
Authors:Dileep, K.V, Remya, C, Tintu, I, Mandal, P.K, Karthe, P, Haridas, M, Sadasivan, C.
Deposit date:2013-12-16
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Porcine Pancreatic Phospholipase A2 in complex with 1-Naphthaleneacetic acid
To be published
4P2P
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BU of 4p2p by Molmil
AN INDEPENDENT CRYSTALLOGRAPHIC REFINEMENT OF PORCINE PHOSPHOLIPASE A2 AT 2.4 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Finzel, B.C, Ohlendorf, D.H, Weber, P.C, Salemme, F.R.
Deposit date:1991-10-22
Release date:1992-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An independent crystallographic refinement of porcine phospholipase A2 at 2.4 A resolution
Acta Crystallogr.,Sect.B, 47, 1991
4FJ3
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BU of 4fj3 by Molmil
14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide
Descriptor: 14-3-3 protein zeta/delta, RAF proto-oncogene serine/threonine-protein kinase
Authors:Ottmann, C, Molzan, M.
Deposit date:2012-06-11
Release date:2012-09-05
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Synergistic binding of the phosphorylated S233- and S259-binding sites of C-RAF to one 14-3-3zeta dimer
J.Mol.Biol., 423, 2012
5D1B
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BU of 5d1b by Molmil
Crystal structure of G117E HDAC8 in complex with TSA
Descriptor: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ...
Authors:Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2015-08-04
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015

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