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7TL7
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BU of 7tl7 by Molmil
1.90A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Sa-D2)
Descriptor: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, IMIDAZOLE, SODIUM ION, ...
Authors:Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J.
Deposit date:2022-01-18
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases.
Acs Chem.Biol., 17, 2022
7TL8
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BU of 7tl8 by Molmil
1.95A resolution structure of independent phosphoglycerate mutase from S. aureus in complex with a macrocyclic peptide inhibitor (Sa-D3)
Descriptor: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, MANGANESE (II) ION, Peptide Sa-D3
Authors:Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J.
Deposit date:2022-01-18
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases.
Acs Chem.Biol., 17, 2022
4Z5T
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BU of 4z5t by Molmil
The nucleosome containing human H3.5
Descriptor: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Urahama, T, Harada, A, Maehara, K, Horikoshi, N, Sato, K, Sato, Y, Shiraishi, K, Sugino, N, Osakabe, A, Tachiwana, H, Kagawa, W, Kimura, H, Ohkawa, Y, Kurumizaka, H.
Deposit date:2015-04-03
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Histone H3.5 forms an unstable nucleosome and accumulates around transcription start sites in human testis.
Epigenetics Chromatin, 9, 2016
3A6N
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BU of 3a6n by Molmil
The nucleosome containing a testis-specific histone variant, human H3T
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Tachiwana, H, Kagawa, W, Osakabe, A, Koichiro, K, Shiga, T, Kimura, H, Kurumizaka, H.
Deposit date:2009-09-04
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of instability of the nucleosome containing a testis-specific histone variant, human H3T
Proc.Natl.Acad.Sci.USA, 107, 2010
3AFA
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BU of 3afa by Molmil
The human nucleosome structure
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Tachiwana, H, Kagawa, W, Osakabe, A, Koichiro, K, Shiga, T, Kimura, H, Kurumizaka, H.
Deposit date:2010-02-24
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of instability of the nucleosome containing a testis-specific histone variant, human H3T
Proc.Natl.Acad.Sci.USA, 107, 2010
3AN2
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BU of 3an2 by Molmil
The structure of the centromeric nucleosome containing CENP-A
Descriptor: 147 mer DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Tachiwana, H, Kagawa, W, Shiga, T, Saito, K, Osakabe, A, Hayashi-Takanaka, Y, Park, S.-Y, Kimura, H, Kurumizaka, H.
Deposit date:2010-08-27
Release date:2011-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of the human centromeric nucleosome containing CENP-A
Nature, 476, 2011
3AV1
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BU of 3av1 by Molmil
The human nucleosome structure containing the histone variant H3.2
Descriptor: 146-MER DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Tachiwana, H, Osakabe, A, Shiga, T, Miya, Y, Kimura, H, Kagawa, W, Kurumizaka, H.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of human nucleosomes containing major histone H3 variants
Acta Crystallogr.,Sect.D, 67, 2011
3AV2
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BU of 3av2 by Molmil
The human nucleosome structure containing the histone variant H3.3
Descriptor: 146-MER DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Tachiwana, H, Osakabe, A, Shiga, T, Miya, M, Kimura, H, Kagawa, W, Kurumizaka, H.
Deposit date:2011-02-18
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of human nucleosomes containing major histone H3 variants
Acta Crystallogr.,Sect.D, 67, 2011
5AY8
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BU of 5ay8 by Molmil
Crystal structure of human nucleosome containing H3.Y
Descriptor: CHLORIDE ION, DNA (146-MER), H3.Y, ...
Authors:Kujirai, T, Horikoshi, N, Sato, K, Maehara, K, Machida, S, Osakabe, A, Kimura, H, Ohkawa, Y, Kurumizaka, H.
Deposit date:2015-08-10
Release date:2016-04-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and function of human histone H3.Y nucleosome
Nucleic Acids Res., 44, 2016
3VHK
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BU of 3vhk by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder
Descriptor: 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
Authors:Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
Deposit date:2011-08-25
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
3VID
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BU of 3vid by Molmil
Crystal structure of human VEGFR2 kinase domain with Compound A.
Descriptor: 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2
Authors:Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
Deposit date:2011-09-29
Release date:2012-08-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
3WA9
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BU of 3wa9 by Molmil
The nucleosome containing human H2A.Z.1
Descriptor: DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ...
Authors:Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H.
Deposit date:2013-04-30
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2
Acta Crystallogr.,Sect.D, 69, 2013
3WAA
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BU of 3waa by Molmil
The nucleosome containing human H2A.Z.2
Descriptor: DNA (146-MER), Histone H2A.V, Histone H2B type 1-J, ...
Authors:Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H.
Deposit date:2013-04-30
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2
Acta Crystallogr.,Sect.D, 69, 2013
5B4O
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BU of 5b4o by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14
Descriptor: 1,2-ETHANEDIOL, 2-pyridin-3-yl-1,3-benzothiazin-4-one, Macrophage migration inhibitory factor, ...
Authors:Oki, H, Igaki, S, Moriya, Y, Hayano, Y, Habuka, N.
Deposit date:2016-04-07
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression
Chem. Biol., 17, 2010
6WL6
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BU of 6wl6 by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
Descriptor: 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2020-04-18
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
6WKZ
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BU of 6wkz by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
Descriptor: 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2020-04-17
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-05-28
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6PGR
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BU of 6pgr by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
Descriptor: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-06-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
5W49
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BU of 5w49 by Molmil
The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to oxadiazole inhibitor
Descriptor: (4-amino-1,2,5-oxadiazol-3-yl)[(3R)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone, 1,2-ETHANEDIOL, Adenosylhomocysteinase, ...
Authors:Dougan, D.R, Lawson, J.D, Lane, W.
Deposit date:2017-06-09
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of AHCY inhibitors using novel high-throughput mass spectrometry.
Biochem. Biophys. Res. Commun., 491, 2017
5W4B
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BU of 5w4b by Molmil
The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to benzothiazole inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide, Adenosylhomocysteinase, ...
Authors:Dougan, D.R, Lawson, J.D, Lane, W.
Deposit date:2017-06-09
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification of AHCY inhibitors using novel high-throughput mass spectrometry.
Biochem. Biophys. Res. Commun., 491, 2017
5B3N
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BU of 5b3n by Molmil
The crystal structure of anti-H4K20me1_scFv, 15F11
Descriptor: anti-H4K20me1_scFv
Authors:Kujirai, T, Horikoshi, N, Kurumizaka, H.
Deposit date:2016-03-04
Release date:2016-09-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A Genetically Encoded Probe for Live-Cell Imaging of H4K20 Monomethylation
J.Mol.Biol., 428, 2016
5GXQ
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BU of 5gxq by Molmil
The crystal structure of the nucleosome containing H3.6
Descriptor: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Taguchi, H, Xie, Y, Horikoshi, N, Kurumizaka, H.
Deposit date:2016-09-19
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
6JOU
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BU of 6jou by Molmil
Crystal structure of the human nucleosome containing H2A.Z.1 S42R
Descriptor: DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ...
Authors:Horikoshi, N, Sato, K, Mizukami, Y, Kurumizaka, H.
Deposit date:2019-03-23
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-based design of an H2A.Z.1 mutant stabilizing a nucleosome in vitro and in vivo.
Biochem.Biophys.Res.Commun., 515, 2019
6KXV
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BU of 6kxv by Molmil
Crystal structure of a nucleosome containing Leishmania histone H3
Descriptor: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Dacher, M, Taguchi, H, Kujirai, T, Kurumizaka, H.
Deposit date:2019-09-13
Release date:2020-07-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Incorporation and influence of Leishmania histone H3 in chromatin.
Nucleic Acids Res., 47, 2019
5B1M
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BU of 5b1m by Molmil
The mouse nucleosome structure containing H3.1
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B type 3-A, ...
Authors:Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H.
Deposit date:2015-12-08
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017

 

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