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5AVA
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BU of 5ava by Molmil
Crystal structure of PHA-E lectin in complex with bisected glycan
分子名称: CALCIUM ION, Erythroagglutinin, MANGANESE (II) ION, ...
著者Nagae, M, Yamaguchi, Y.
登録日2015-06-12
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins
Sci Rep, 6, 2016
5A7C
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BU of 5a7c by Molmil
Crystal structure of the second bromodomain of human BRD3 in complex with compound
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE
著者Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B.
登録日2015-07-03
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins.
Cancer Res., 76, 2016
6IZW
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BU of 6izw by Molmil
Myxococcus xanthus MglA bound to GTP-gamma-S and MglB
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Gliding motility protein MglB, MAGNESIUM ION, ...
著者Baranwal, J, Gayathri, P.
登録日2018-12-20
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric regulation of a prokaryotic small Ras-like GTPase contributes to cell polarity oscillations in bacterial motility.
Plos Biol., 17, 2019
8FIS
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BU of 8fis by Molmil
Structure of Bispecific CAP256V2LS-J3 Fab in complex with BG505 DS-SOSIP.664
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2022-12-16
公開日2023-02-01
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Bispecific antibody CAP256.J3LS targets V2-apex and CD4-binding sites with high breadth and potency.
Mabs, 15, 2023
3SM0
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BU of 3sm0 by Molmil
tRNA-Guanine Transglycosylase in complex with lin-Benzohypoxanthine Inhibitor
分子名称: 4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Klebe, G, Immekus, F, Heine, A.
登録日2011-06-27
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Chemistry, 18, 2012
1WSO
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BU of 1wso by Molmil
The solution structures of human Orexin-A
分子名称: Orexin-A
著者Ikegami, T, Takai, T.
登録日2004-11-08
公開日2004-11-30
最終更新日2019-12-25
実験手法SOLUTION NMR
主引用文献Orexin-A is composed of a highly conserved C-terminal and a specific, hydrophilic N-terminal region, revealing the structural basis of specific recognition by the orexin-1 receptor
J.Pept.Sci., 12, 2006
7ZQX
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BU of 7zqx by Molmil
Human galectin-3c in complex with a galactose derivative
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, GLYCEROL, ...
著者Zetterberg, F, Nilsson, U.J, Hakansson, M, Logan, D.T.
登録日2022-05-03
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Discovery and Optimization of the First Highly Effective and Orally Available Galectin-3 Inhibitors for Treatment of Fibrotic Disease.
J.Med.Chem., 65, 2022
3S1G
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BU of 3s1g by Molmil
tRNA-Guanine Transglycosylase in complex with lin-Benzohypoxanthine Inhibitor
分子名称: 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Klebe, G, Immekus, F, Heine, A.
登録日2011-05-15
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Chemistry, 18, 2012
3TLL
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BU of 3tll by Molmil
tRNA-Guanine Transglycosylase in complex with N-Ethyl-lin-benzoguanine Inhibitor
分子名称: 6-(ethylamino)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Klebe, G, Immekus, F, Heine, A.
登録日2011-08-30
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters.
Chemistry, 18, 2012
2DGB
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BU of 2dgb by Molmil
Structure of Thermus thermophilus PurS in the P21 Form
分子名称: hypothetical protein PurS
著者Yanai, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-03-10
公開日2006-09-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Thermus thermophilus PurS, One of the Subunits of Formylglycinamide Ribonucleotide Amidotransferase in the Purine Biosynthetic Pathway
To be published
2E67
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BU of 2e67 by Molmil
Crystal structure of the hypothetical protein TTHB029 from Thermus thermophilus HB8
分子名称: Hypothetical protein TTHB029, MAGNESIUM ION
著者Imagawa, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-12-26
公開日2007-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the YdjC-family protein TTHB029 from Thermus thermophilus HB8: structural relationship with peptidoglycan N-acetylglucosamine deacetylase.
Biochem.Biophys.Res.Commun., 367, 2008
5ODY
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BU of 5ody by Molmil
Galectin-3C in complex with dithiogalactoside derivative
分子名称: 5,6-bis(fluoranyl)-3-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2017-07-07
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.149 Å)
主引用文献Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
J. Med. Chem., 61, 2018
4AD7
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BU of 4ad7 by Molmil
Crystal structure of full-length N-glycosylated human glypican-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYPICAN-1
著者Svensson, G, Awad, W, Mani, K, Logan, D.T.
登録日2011-12-22
公開日2012-03-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.945 Å)
主引用文献Crystal Structure of N-Glycosylated Human Glypican-1 Core Protein: Structure of Two Loops Evolutionarily Conserved in Vertebrate Glypican-1.
J.Biol.Chem., 287, 2012
4ACR
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BU of 4acr by Molmil
Crystal structure of N-glycosylated, C-terminally truncated human glypican-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYPICAN-1
著者Svensson, G, Awad, W, Mani, K, Logan, D.T.
登録日2011-12-17
公開日2012-02-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of N-Glycosylated Human Glypican-1 Core Protein: Structure of Two Loops Evolutionarily Conserved in Vertebrate Glypican-1.
J.Biol.Chem., 287, 2012
4YWT
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BU of 4ywt by Molmil
Crystal structure of full-length glypican-1 core protein after controlled crystal dehydration to 87% relative humidity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glypican-1
著者Awad, W, Mani, K, Logan, D.T.
登録日2015-03-21
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural Aspects of N-Glycosylations and the C-terminal Region in Human Glypican-1.
J.Biol.Chem., 290, 2015
6HHU
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BU of 6hhu by Molmil
Structure of the Bacillus anthracis Sap S-layer assembly domain
分子名称: Nanobody AF694, S-layer protein sap, nanobody AF684
著者Remaut, H, Fioravanti, A.
登録日2018-08-29
公開日2019-07-24
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of S-layer protein Sap reveals a mechanism for therapeutic intervention in anthrax.
Nat Microbiol, 4, 2019
6IIW
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BU of 6iiw by Molmil
Crystal structure of human UHRF1 PHD finger in complex with PAF15
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase UHRF1, PCNA-associated factor, ...
著者Arita, K, Kori, S.
登録日2018-10-07
公開日2019-10-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Two distinct modes of DNMT1 recruitment ensure stable maintenance DNA methylation.
Nat Commun, 11, 2020
5C0R
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BU of 5c0r by Molmil
Crystal Structure of a Generation 3 Influenza Hemagglutinin Stabilized Stem Complexed with the Broadly Neutralizing Antibody C179
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C179 Fab heavy chain, ...
著者Boyington, J.C, kwong, P.D, Nabel, G.J, Mascola, J.R.
登録日2015-06-12
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.188 Å)
主引用文献Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015
7E50
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BU of 7e50 by Molmil
Crystal structure of human microplasmin in complex with kazal-type inhibitor AaTI
分子名称: AAEL006007-PA, GLYCEROL, Plasminogen, ...
著者Varsha, A.W, Jobichen, C, Mok, Y.K.
登録日2021-02-16
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Aedes aegypti trypsin inhibitor in complex with mu-plasmin reveals role for scaffold stability in Kazal-type serine protease inhibitor.
Protein Sci., 31, 2022
5DH5
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BU of 5dh5 by Molmil
PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
分子名称: MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ...
著者Yan, Y.
登録日2015-08-29
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
2CB1
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BU of 2cb1 by Molmil
Crystal Structure of O-actetyl Homoserine Sulfhydrylase From Thermus Thermophilus HB8,OAH2.
分子名称: O-ACETYL HOMOSERINE SULFHYDRYLASE, PYRIDOXAL-5'-PHOSPHATE
著者Imagawa, T, Utsunomiya, H, Tsuge, H, Ebihara, A, Kanagawa, M, Nakagawa, N, Kuroishi, C, Agari, Y, Kuramitsu, S, Yokoyama, S.
登録日2005-12-28
公開日2007-01-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of O-Acetyl Homoserine Sulfhydrylase
To be Published
5DH4
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BU of 5dh4 by Molmil
PDE10 complexed with 5-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
分子名称: 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ...
著者Yan, Y.
登録日2015-08-29
公開日2016-01-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
4BWE
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BU of 4bwe by Molmil
Crystal structure of C-terminally truncated glypican-1 after controlled dehydration to 86 percent relative humidity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glypican-1
著者Awad, W, Svensson Birkedal, G, Thunnissen, M.M.G.M, Mani, K, Logan, D.T.
登録日2013-07-01
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Improvements in the order, isotropy and electron density of glypican-1 crystals by controlled dehydration.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
5C0S
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BU of 5c0s by Molmil
Crystal structure of a generation 4 influenza hemagglutinin stabilized stem in complex with the broadly neutralizing antibody CR6261
分子名称: CR6261 antibody heavy chain, CR6261 antibody light chain, Hemagglutinin, ...
著者Boyington, J.C, Kwong, P.D, Nabel, G.J, Mascola, J.R.
登録日2015-06-12
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015
7KNA
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BU of 7kna by Molmil
Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,I53_dn5
著者Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-11-04
公開日2021-03-31
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021

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