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6MD2
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BU of 6md2 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Arachidonic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6PD9
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BU of 6pd9 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60
Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PDF
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BU of 6pdf by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 55
Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PD8
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BU of 6pd8 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39
Descriptor: 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.738 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6PDC
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BU of 6pdc by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42
Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
4AT9
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BU of 4at9 by Molmil
Crystal structure of the NF90-NF45 dimerisation domain complex with UTP
Descriptor: INTERLEUKIN ENHANCER-BINDING FACTOR 2, INTERLEUKIN ENHANCER-BINDING FACTOR 3, MAGNESIUM ION, ...
Authors:Wolkowicz, U.M, Cook, A.G.
Deposit date:2012-05-05
Release date:2012-08-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:NF45 Dimerizes with NF90, Zfr and Spnr Via a Conserved Domain that Has a Nucleotidyltransferase Fold.
Nucleic Acids Res., 40, 2012
6MFR
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BU of 6mfr by Molmil
Human Argonaute2-miR-122 bound to a target RNA with three central mismatches (bu3)
Descriptor: PHENOL, PHOSPHATE ION, Protein argonaute-2, ...
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-09-12
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
6MFN
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BU of 6mfn by Molmil
Human Argonaute2-miR-27a bound to HSUR1 target RNA
Descriptor: PHENOL, Protein argonaute-2, RNA (5'-R(P*UP*CP*UP*GP*UP*GP*AP*UP*AP*A)-3'), ...
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-09-11
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
6BCX
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BU of 6bcx by Molmil
mTORC1 structure refined to 3.0 angstroms
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-10-20
Release date:2017-12-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
6BCU
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BU of 6bcu by Molmil
Cryo-EM structure of the activated RHEB-mTORC1 refined to 3.4 angstrom
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, GTP-binding protein Rheb, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-10-20
Release date:2017-12-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
6PDB
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BU of 6pdb by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80
Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6MD0
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BU of 6md0 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Oleic Acid
Descriptor: OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6PDD
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BU of 6pdd by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41
Descriptor: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-06-18
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
2RSO
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BU of 2rso by Molmil
Solution structure of the chromodomain of Swi6
Descriptor: Chromatin-associated protein swi6
Authors:Shimojo, H, Nishimura, Y.
Deposit date:2012-04-18
Release date:2012-08-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intrinsic nucleic Acid-binding activity of chp1 chromodomain is required for heterochromatic gene silencing
Mol.Cell, 47, 2012
6PP9
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BU of 6pp9 by Molmil
Crystal structure of BRAF:MEK1 complex
Descriptor: 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-07-05
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
6PPL
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BU of 6ppl by Molmil
Cryo-EM structure of human NatE complex (NatA/Naa50)
Descriptor: ACETYL COENZYME *A, INOSITOL HEXAKISPHOSPHATE, N-alpha-acetyltransferase 10, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2019-07-08
Release date:2020-02-19
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Molecular basis for N-terminal acetylation by human NatE and its modulation by HYPK.
Nat Commun, 11, 2020
6PGU
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BU of 6pgu by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA
Descriptor: COENZYME A, Histone acetyltransferase p300, N-(thiophen-2-yl)acetamide
Authors:Gardberg, A.S, Poy, F, Setser, J.
Deposit date:2019-06-24
Release date:2019-10-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
6PL0
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BU of 6pl0 by Molmil
Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP from Xanthomonas campestris in the Pr state bound to BV chromophore
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome
Authors:Otero, L.H, Sirigu, S, Klinke, S, Goldbaum, F, Chavas, L, Rinaldi, J, Bonomi, H.R.
Deposit date:2019-06-30
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Sci Adv, 7, 2021
3J3W
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BU of 3j3w by Molmil
Atomic model of the immature 50S subunit from Bacillus subtilis (state II-a)
Descriptor: 50S ribosomal protein L1, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
Authors:Li, N, Guo, Q, Zhang, Y, Yuan, Y, Ma, C, Lei, J, Gao, N.
Deposit date:2013-04-28
Release date:2013-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (10.7 Å)
Cite:Cryo-EM structures of the late-stage assembly intermediates of the bacterial 50S ribosomal subunit
Nucleic Acids Res., 41, 2013
2PIJ
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BU of 2pij by Molmil
Structure of the Cro protein from prophage Pfl 6 in Pseudomonas fluorescens Pf-5
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, Prophage Pfl 6 Cro, ...
Authors:Roessler, C.G, Roberts, S.A, Montfort, W.R, Cordes, M.H.J.
Deposit date:2007-04-13
Release date:2008-03-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Transitive homology-guided structural studies lead to discovery of Cro proteins with 40% sequence identity but different folds.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2Q5G
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BU of 2q5g by Molmil
Ligand binding domain of PPAR delta receptor in complex with a partial agonist
Descriptor: Peroxisome proliferator-activated receptor delta, [(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-4-YL]THIO}-2,3-DIHYDRO-1H-INDEN- 4-YL)OXY]ACETIC ACID
Authors:Pettersson, I, Sauerberg, P, Johansson, E, Hoffman, I, Tari, L.W, Hunter, M.J, Nix, J.
Deposit date:2007-06-01
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of a partial PPARdelta agonist.
Bioorg.Med.Chem.Lett., 17, 2007
2Q61
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BU of 2q61 by Molmil
Crystal Structure of PPARgamma ligand binding domain bound to partial agonist SR145
Descriptor: 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-06-04
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
3DCY
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BU of 3dcy by Molmil
Crystal Structure a TP53-induced glycolysis and apoptosis regulator protein from Homo sapiens.
Descriptor: PHOSPHATE ION, REGULATOR PROTEIN
Authors:McCoy, J.G, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2008-06-04
Release date:2008-07-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Crystal Structure a TP53-induced glycolysis and apoptosis regulator protein from Homo sapiens.
To be Published
2Q60
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BU of 2q60 by Molmil
Crystal structure of the ligand binding domain of polyandrocarpa misakiensis rxr in tetramer in absence of ligand
Descriptor: Retinoid X receptor
Authors:Borel, F, De Groot, A, Juillan-Binard, C, De Rosny, E, Laudet, V, Pebay-Peyroula, E, Fontecilla-Camps, J.-C, Ferrer, J.-L.
Deposit date:2007-06-04
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the ligand-binding domain of the retinoid X receptor from the ascidian polyandrocarpa misakiensis.
Proteins, 74, 2008
6MDZ
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BU of 6mdz by Molmil
Human Argonaute2-miR-122 bound to a target RNA with two central mismatches (bu2)
Descriptor: PHENOL, Protein argonaute-2, RNA (5'-R(P*AP*AP*AP*CP*AP*CP*CP*AP*UP*UP*UP*CP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), ...
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-09-05
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019

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數據於2024-09-11公開中

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