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PDB: 946 results

7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
Descriptor: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
Authors:Shang, L.Q, Wang, H.
Deposit date:2020-11-11
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DL4
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BU of 7dl4 by Molmil
Crystal structure of human serum albumin and nitrosylruthenium complex adduct
Descriptor: 5-chloranylquinolin-8-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Xie, L.L, Wang, W.M, Wang, H.F.
Deposit date:2020-11-26
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Photodynamic Studies on Nitrosylruthenium Complexed Serum Albumin
To Be Published
3WII
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BU of 3wii by Molmil
Crystal structure of the Fab fragment of B2212A, a murine monoclonal antibody specific for the third fibronectin domain (Fn3) of human ROBO1.
Descriptor: anti-human ROBO1 antibody B2212A Fab heavy chain, anti-human ROBO1 antibody B2212A Fab light chain
Authors:Nakayama, T, Mizohata, E, Yamashita, T, Nagatoishi, S, Nakakido, M, Iwanari, H, Mochizuki, Y, Kado, Y, Yokota, Y, Sato, R, Tsumoto, K, Fujitani, H, Kodama, T, Hamakubo, T, Inoue, T.
Deposit date:2013-09-12
Release date:2015-01-21
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses
Protein Sci., 24, 2015
3AZL
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BU of 3azl by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H4K77Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
3AZM
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BU of 3azm by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H4K79Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
3AZN
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BU of 3azn by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H4K91Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
7EJC
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BU of 7ejc by Molmil
human RAD51 presynaptic complex
Descriptor: 4-bromanyl-N-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, ...
Authors:Zhao, L.Y, Xu, J.F, Wang, H.W.
Deposit date:2021-04-02
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination.
Nucleic Acids Res., 49, 2021
7EJ6
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Yeast Dmc1 presynaptic complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), HLJ1_G0016300.mRNA.1.CDS.1, ...
Authors:Zhao, L.Y, Xu, J.F, Wang, H.W.
Deposit date:2021-04-01
Release date:2022-04-20
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination.
Nucleic Acids Res., 49, 2021
7EJ7
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BU of 7ej7 by Molmil
Yeast Dmc1 post-synaptic complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ...
Authors:Zhao, L.Y, Xu, J.F, Wang, H.W.
Deposit date:2021-04-01
Release date:2022-04-20
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Mechanisms of distinctive mismatch tolerance between Rad51 and Dmc1 in homologous recombination.
Nucleic Acids Res., 49, 2021
3AZF
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BU of 3azf by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H3K79Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
3AZH
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BU of 3azh by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H3K122Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
3AZE
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BU of 3aze by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H3K64Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
3AZG
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BU of 3azg by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H3K115Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
3AYW
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BU of 3ayw by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H3K56Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-19
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
3AZI
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BU of 3azi by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H4K31Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
2Z8P
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BU of 2z8p by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: (GLY)(GLU)(ALA)(TPO)(VAL)(PTR)(ALA), 27.5 kDa virulence protein
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
5ANT
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BU of 5ant by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Descriptor: 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ZOO
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BU of 5zoo by Molmil
Crystal structure of histone deacetylase 4 (HDAC4) in complex with a SMRT corepressor SP1 fragment
Descriptor: Histone deacetylase 4, POTASSIUM ION, SMRT corepressor SP1 fragment, ...
Authors:Park, S.Y, Hwang, H.J, Kim, J.S.
Deposit date:2018-04-13
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of the specific interaction of SMRT corepressor with histone deacetylase 4.
Nucleic Acids Res., 46, 2018
3AZK
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BU of 3azk by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H4K59Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
3AZJ
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BU of 3azj by Molmil
Crystal Structure of Human Nucleosome Core Particle Containing H4K44Q mutation
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H.
Deposit date:2011-05-25
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains
Biochemistry, 50, 2011
3B55
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BU of 3b55 by Molmil
Crystal structure of the Q81BN2_BACCR protein from Bacillus cereus. NESG target BcR135
Descriptor: CALCIUM ION, Succinoglycan biosynthesis protein
Authors:Vorobiev, S.M, Chen, Y, Kuzin, A.P, Seetharaman, J, Wang, H, Cunningham, K, Owens, L, Maglaqui, M, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-10-25
Release date:2007-11-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the Q81BN2_BACCR protein from Bacillus cereus.
To be Published
2Z8M
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BU of 2z8m by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: 27.5 kDa virulence protein
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
3WKJ
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BU of 3wkj by Molmil
The nucleosome containing human TSH2B
Descriptor: CHLORIDE ION, DNA (145-MER), Histone H2A type 1-B/E, ...
Authors:Urahama, T, Horikoshi, N, Osakabe, A, Tachiwana, H, Kurumizaka, H.
Deposit date:2013-10-22
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human nucleosome containing the testis-specific histone variant TSH2B.
Acta Crystallogr.,Sect.F, 70, 2014
5ZOP
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BU of 5zop by Molmil
Crystal structure of histone deacetylase 4 (HDAC4) in complex with a SMRT corepressor SP2 fragment
Descriptor: Histone deacetylase 4, POTASSIUM ION, SMRT corepressor SP2 fragment, ...
Authors:Park, S.Y, Hwang, H.J, Kim, J.S.
Deposit date:2018-04-13
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Structural basis of the specific interaction of SMRT corepressor with histone deacetylase 4.
Nucleic Acids Res., 46, 2018

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