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8OYT
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Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '3 up' RBD conformation
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, H6 nanobody, ...
著者Weckener, M, Naismith, J.H, Owens, R.J.
登録日2023-05-05
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
4I8X
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BU of 4i8x by Molmil
Crystal structure of rabbit LDHA in complex with AP27460
分子名称: 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
登録日2012-12-04
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9N
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BU of 4i9n by Molmil
Crystal structure of rabbit LDHA in complex with AP28161 and AP28122
分子名称: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
6JK8
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BU of 6jk8 by Molmil
Cryo-EM structure of the full-length human IGF-1R in complex with insulin
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, Insulin, ...
著者Zhang, X, Yu, D, Wang, T.
登録日2019-02-27
公開日2020-03-04
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis.
Structure, 28, 2020
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
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, BA7054 fab, ...
著者Liu, Z, Lui, S, Gao, Y.
登録日2022-03-27
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
4I9U
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BU of 4i9u by Molmil
Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256
分子名称: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9H
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BU of 4i9h by Molmil
Crystal structure of rabbit LDHA in complex with AP28669
分子名称: 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain
著者Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
3F7O
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BU of 3f7o by Molmil
Crystal structure of Cuticle-Degrading Protease from Paecilomyces lilacinus (PL646)
分子名称: (MSU)(ALA)(ALA)(PRO)(VAL), CALCIUM ION, Serine protease
著者Liang, L, Lou, Z, Meng, Z, Rao, Z, Zhang, K.
登録日2008-11-10
公開日2009-11-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes.
Faseb J., 24, 2010
4YH3
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BU of 4yh3 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a)
分子名称: 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4
著者White, A, Lakshminarasimhan, D, Suto, R.K.
登録日2015-02-26
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
4YNL
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BU of 4ynl by Molmil
Crystal structure of the hood domain of Anabaena HetR in complex with the hexapeptide ERGSGR derived from PatS
分子名称: Heterocyst differentiation control protein, Heterocyst inhibition-signaling peptide
著者Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z.
登録日2015-03-10
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation
Sci Rep, 5, 2015
4YRV
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BU of 4yrv by Molmil
Crystal structure of Anabaena transcription factor HetR complexed with 21-bp DNA from hetP promoter
分子名称: CALCIUM ION, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*GP*AP*CP*CP*CP*CP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*GP*GP*GP*GP*TP*CP*TP*AP*AP*CP*CP*CP*CP*TP*CP*AP*T)-3'), ...
著者Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z.
登録日2015-03-16
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation
Sci Rep, 5, 2015
4WXX
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BU of 4wxx by Molmil
The crystal structure of human DNMT1(351-1600)
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Zhang, Z.M, Song, J.
登録日2014-11-14
公開日2015-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.622 Å)
主引用文献Crystal Structure of Human DNA Methyltransferase 1.
J.Mol.Biol., 427, 2015
3FYG
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BU of 3fyg by Molmil
CRYSTAL STRUCTURE OF TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE
分子名称: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, MU CLASS TETRADECA-(3-FLUOROTYROSYL)-GLUTATHIONE S-TRANSFERASE OF ISOENZYME
著者Xiao, G, Parsons, J.F, Armstrong, R.N, Gilliland, G.L.
登録日1997-08-07
公開日1999-06-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformational changes in the crystal structure of rat glutathione transferase M1-1 with global substitution of 3-fluorotyrosine for tyrosine.
J.Mol.Biol., 281, 1998
4YH4
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BU of 4yh4 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d)
分子名称: 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ...
著者Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2015-02-26
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
4ZH2
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BU of 4zh2 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBR703
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Feng, Y, Ebright, R.H.
登録日2015-04-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.204 Å)
主引用文献Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
3BXV
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BU of 3bxv by Molmil
Crystal structure studies on sulfur oxygenase reductase from Acidianus tengchongensis
分子名称: FE (III) ION, Sulfur oxygenase/reductase
著者Chang, W.R, Li, M.
登録日2008-01-14
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure studies on sulfur oxygenase reductase from Acidianus tengchongensis
Biochem.Biophys.Res.Commun., 369, 2008
7DWC
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BU of 7dwc by Molmil
Bacteroides thetaiotaomicron VPI5482 BTAxe1
分子名称: Xylanase
著者Wang, L.Y, Wang, Y.L, Xin, F.J, Sun, L.C.
登録日2021-01-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Rational Design for Broadened Substrate Specificity and Enhanced Activity of a Novel Acetyl Xylan Esterase from Bacteroides thetaiotaomicron.
J.Agric.Food Chem., 69, 2021
4ZH3
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BU of 4zh3 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRH16-Br
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Feng, Y, Ebright, R.H.
登録日2015-04-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.082 Å)
主引用文献Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
4ZH4
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BU of 4zh4 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRP18
分子名称: 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Feng, Y, Ebright, R.H.
登録日2015-04-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.993 Å)
主引用文献Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
3F7M
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BU of 3f7m by Molmil
Crystal structure of apo Cuticle-Degrading Protease (ver112) from Verticillium psalliotae
分子名称: Alkaline serine protease ver112
著者Liang, L, Lou, Z, Ye, F, Meng, Z, Rao, Z, Zhang, K.
登録日2008-11-09
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes.
Faseb J., 24, 2010
3GST
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BU of 3gst by Molmil
STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE
分子名称: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, GLUTATHIONE S-TRANSFERASE, SULFATE ION
著者Ji, X, Ammon, H.L, Armstrong, R.N, Gilliland, G.L.
登録日1993-06-07
公開日1993-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene.
Biochemistry, 33, 1994
3QBV
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BU of 3qbv by Molmil
Structure of designed orthogonal interaction between CDC42 and nucleotide exchange domains of intersectin
分子名称: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, Intersectin-1
著者Kapp, G.T, Remenyi, A, Lim, W.A, Kortemme, T.
登録日2011-01-14
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair.
Proc.Natl.Acad.Sci.USA, 109, 2012
3CQV
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BU of 3cqv by Molmil
Crystal structure of Reverb beta in complex with heme
分子名称: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, X, Dong, A, Pardee, K.I, Reinking, J, Krause, H, Schuetz, A, Zhang, R, Cui, H, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Savchenko, A, Botchkarev, A, Structural Genomics Consortium (SGC)
登録日2008-04-03
公開日2008-08-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis of gas-responsive transcription by the human nuclear hormone receptor REV-ERBbeta.
Plos Biol., 7, 2009
3WVO
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BU of 3wvo by Molmil
Crystal structure of Thermobifida fusca Cse1
分子名称: CRISPR-associated protein, Cse1 family
著者Yuan, Y.A, Tay, M.
登録日2014-06-02
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Crystal structure of Thermobifida fusca Cse1 reveals target DNA binding site.
Protein Sci., 24, 2015
5CGP
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BU of 5cgp by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
分子名称: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, CREB-binding protein
著者Chekler, E.L, Jones, L.H.
登録日2015-07-09
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015

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