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1SQP
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BU of 1sqp by Molmil
Crystal Structure Analysis of Bovine Bc1 with Myxothiazol
Descriptor: (2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
Authors:Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
Deposit date:2004-03-19
Release date:2005-11-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
1SQQ
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BU of 1sqq by Molmil
Crystal Structure Analysis of Bovine Bc1 with Methoxy Acrylate Stilbene (MOAS)
Descriptor: Cytochrome b, Cytochrome c1, heme protein, ...
Authors:Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D.
Deposit date:2004-03-19
Release date:2005-10-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
3QJ5
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BU of 3qj5 by Molmil
S-nitrosoglutathione reductase (GSNOR) in complex with N6022
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1H-imidazol-1-yl)phenyl]-1H-pyrrol-2-yl}propanoic acid, Alcohol dehydrogenase class-3, ...
Authors:Chun, L, Kim, H, Sun, X.
Deposit date:2011-01-28
Release date:2011-04-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of s-nitrosoglutathione reductase inhibitors: potential agents for the treatment of asthma and other inflammatory diseases.
ACS Med Chem Lett, 2, 2011
6KA7
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BU of 6ka7 by Molmil
The complex structure of Human IgG Fc and its binding Repebody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, repebody
Authors:Choi, J, Kim, H.
Deposit date:2019-06-21
Release date:2020-06-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:The complex structure of Human IgG Fc and its binding Repebody
To Be Published
5YSZ
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BU of 5ysz by Molmil
transcriptional regulator CelR-cellobiose complex
Descriptor: GLYCEROL, Transcriptional regulator, LacI family, ...
Authors:Fu, Y, Yeom, S.Y, Lee, D.H, Lee, S.G.
Deposit date:2017-11-16
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Structural and functional analyses of the cellulase transcription regulator CelR
FEBS Lett., 592, 2018
5WQJ
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BU of 5wqj by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
5WQK
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BU of 5wqk by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
7XW8
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BU of 7xw8 by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct
Descriptor: GLYCEROL, Lysine-specific histone demethylase 1A, MAGNESIUM ION, ...
Authors:Oki, H.
Deposit date:2022-05-26
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Design, synthesis, and structure-activity relationship of TAK-418 and its derivatives as a novel series of LSD1 inhibitors with lowered risk of hematological side effects.
Eur.J.Med.Chem., 239, 2022
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:2024-10-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A Genetically Encoded Probe for Live-Cell Imaging of H4K20 Monomethylation
J.Mol.Biol., 428, 2016
6F9S
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BU of 6f9s by Molmil
Crystal structure of the C-terminal RecA domain of DDX6 in complex with a conserved peptide from LSM14
Descriptor: Cytokinesis, Apoptosis, RNA-associated, ...
Authors:Jinek, M, Brandmann, T.
Deposit date:2017-12-15
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Molecular architecture of LSM14 interactions involved in the assembly of mRNA silencing complexes.
EMBO J., 37, 2018
6F9W
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BU of 6f9w by Molmil
Crystal structure of the LSM domain of LSM14 in complex with a C-terminal peptide of 4E-T
Descriptor: Eukaryotic translation initiation factor 4E transporter, Protein LSM14 homolog A
Authors:Brandmann, T, Jinek, M.
Deposit date:2017-12-15
Release date:2018-03-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Molecular architecture of LSM14 interactions involved in the assembly of mRNA silencing complexes.
EMBO J., 37, 2018
6FDL
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BU of 6fdl by Molmil
Crystal structure of the NYN domain of human MARF1
Descriptor: Meiosis regulator and mRNA stability factor 1
Authors:Jinek, M, Brandmann, T.
Deposit date:2017-12-26
Release date:2018-11-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Human MARF1 is an endoribonuclease that interacts with the DCP1:2 decapping complex and degrades target mRNAs.
Nucleic Acids Res., 46, 2018
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
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
5B1L
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BU of 5b1l by Molmil
The mouse nucleosome structure containing H3t
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1, ...
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 (2.35 Å)
Cite:Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
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
5Z23
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BU of 5z23 by Molmil
Crystal structure of the nucleosome containing a chimeric histone H3/CENP-A CATD
Descriptor: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Arimura, Y, Tachiwana, H, Takagi, H.
Deposit date:2017-12-28
Release date:2019-02-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:The CENP-A centromere targeting domain facilitates H4K20 monomethylation in the nucleosome by structural polymorphism.
Nat Commun, 10, 2019
2RVA
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BU of 2rva by Molmil
Solution structure of chitosan-binding module 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
Descriptor: Glucanase
Authors:Shinya, S, Nishimura, S, Fukamizo, T.
Deposit date:2015-05-13
Release date:2016-04-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase.
Biochem.J., 473, 2016
2RV9
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BU of 2rv9 by Molmil
Solution structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
Descriptor: Glucanase
Authors:Shinya, S, Nishimura, S, Fukamizo, T.
Deposit date:2015-05-12
Release date:2016-04-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase.
Biochem.J., 473, 2016
5ZBX
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BU of 5zbx by Molmil
The crystal structure of the nucleosome containing histone H3.1 CATD(V76Q, K77D)
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Arimura, Y, Takagi, H, Kurumizaka, H.
Deposit date:2018-02-13
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:The CENP-A centromere targeting domain facilitates H4K20 monomethylation in the nucleosome by structural polymorphism.
Nat Commun, 10, 2019
5XM1
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BU of 5xm1 by Molmil
The mouse nucleosome structure containing H2A, H2B type3-A, H3mm7, and H4
Descriptor: DNA (146-MER), Histone H2A type 1-B, Histone H2B type 3-A, ...
Authors:Taguchi, H, Horikoshi, N, Kurumizaka, H.
Deposit date:2017-05-12
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Histone H3.3 sub-variant H3mm7 is required for normal skeletal muscle regeneration.
Nat Commun, 9, 2018
5B3F
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BU of 5b3f by Molmil
Crystal structure of phosphoribulokinase from Methanospirillum hungatei
Descriptor: Phosphoribulokinase/uridine kinase, SULFATE ION
Authors:Matsumura, H, Ashida, H.
Deposit date:2016-02-22
Release date:2017-01-18
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A RuBisCO-mediated carbon metabolic pathway in methanogenic archaea
Nat Commun, 8, 2017
5X7X
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BU of 5x7x by Molmil
The crystal structure of the nucleosome containing H3.3 at 2.18 angstrom resolution
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Arimura, Y, Taguchi, H, Kurumizaka, H.
Deposit date:2017-02-27
Release date:2017-04-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.184 Å)
Cite:Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
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

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