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2HY9
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BU of 2hy9 by Molmil
Human telomere DNA quadruplex structure in K+ solution hybrid-1 form
分子名称: DNA (26-MER)
著者Dai, J, Punchihewa, C, Jones, R.A, Hurley, L, Yang, D.
登録日2006-08-04
公開日2007-04-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of the intramolecular human telomeric G-quadruplex in potassium solution: a novel adenine triple formation.
Nucleic Acids Res., 35, 2007
5JSG
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BU of 5jsg by Molmil
Crystal structure of Spindlin1 bound to compound EML405
分子名称: CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ...
著者Su, X, Li, H.
登録日2016-05-08
公開日2017-05-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
5JSJ
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BU of 5jsj by Molmil
Crystal structure of Spindlin1 bound to compound EML631
分子名称: CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ...
著者Su, X, Li, H.
登録日2016-05-08
公開日2017-05-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
3DPK
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BU of 3dpk by Molmil
cFMS tyrosine kinase in complex with a pyridopyrimidinone inhibitor
分子名称: 8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, Macrophage colony-stimulating factor 1 receptor, Fibroblast growth factor receptor 1, ...
著者Schubert, C.
登録日2008-07-08
公開日2009-02-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyrido[2,3-d]pyrimidin-5-ones: a novel class of antiinflammatory macrophage colony-stimulating factor-1 receptor inhibitors
J.Med.Chem., 52, 2009
8EKD
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BU of 8ekd by Molmil
Cryo-EM map of SARS-CoV-2 Omicron BA.2 spike in complex with 2130-1-0114-112
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab LLNL-199 HC, Fab LLNL-199 LC, ...
著者Binshtein, E, Crowe, J.E.
登録日2022-09-20
公開日2024-02-21
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Computationally restoring the potency of a clinical antibody against Omicron.
Nature, 629, 2024
4NT4
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BU of 4nt4 by Molmil
Crystal structure of the kinase domain of Gilgamesh isoform I from Drosophila melanogaster
分子名称: GLYCEROL, Gilgamesh, isoform I, ...
著者Chen, C.C, Shi, Z.B, Zhou, Z.C.
登録日2013-11-30
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structure of the kinase domain of Gilgamesh from Drosophila melanogaster
Acta Crystallogr.,Sect.F, 70, 2014
6F57
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BU of 6f57 by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with single CpG-containing DNA
分子名称: DNA (5'-D(*AP*GP*AP*GP*CP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*ZP*GP*CP*TP*CP*T)-3'), DNA (cytosine-5)-methyltransferase 3-like, ...
著者Zhang, Z.M, Song, J.
登録日2017-12-01
公開日2018-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7ONP
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BU of 7onp by Molmil
Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-25
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.408 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ONV
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Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-26
公開日2021-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ONM
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BU of 7onm by Molmil
Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-25
公開日2021-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ONQ
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BU of 7onq by Molmil
Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-25
公開日2021-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7RAM
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BU of 7ram by Molmil
Cryo-EM Structure of the HCMV gHgLgO Trimer Derived from AD169 and TR strains in complex with PDGFRalpha
分子名称: Envelope glycoprotein H, Envelope glycoprotein L, Envelope glycoprotein O, ...
著者Liu, J, Vanarsdall, A.L, Chen, D, Johnson, D.C, Jardetzky, T.S.
登録日2021-07-02
公開日2022-06-08
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Cryo-Electron Microscopy Structure and Interactions of the Human Cytomegalovirus gHgLgO Trimer with Platelet-Derived Growth Factor Receptor Alpha.
Mbio, 12, 2021
5XGV
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BU of 5xgv by Molmil
The structure of Diels-Alderase PyrE3 in the biosynthetic pathway of pyrroindomycins
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, PyrE3
著者Pan, L, Gong, Y, Guo, Y.
登録日2017-04-18
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structural Insights into a Flavin-Dependent [4 + 2] Cyclase that Catalyzes trans-Decalin Formation in Pyrroindomycin Biosynthesis.
Cell Chem Biol, 25, 2018
7RYX
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BU of 7ryx by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH VT-1129
分子名称: (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-{5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Ruma, Y.N, Sagatova, A, Keniya, M.V, Tyndall, J.D, Monk, B.C.
登録日2021-08-26
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterisation of Candida parapsilosis CYP51 as a Drug Target Using Saccharomyces cerevisiae as Host.
J Fungi, 8, 2022
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
2WWP
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BU of 2wwp by Molmil
Crystal structure of the human lipocalin-type prostaglandin D synthase
分子名称: CHLORIDE ION, PROSTAGLANDIN-H2 D-ISOMERASE, THIOCYANATE ION
著者Roos, A.K, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-10-26
公開日2010-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Dynamic Insights Into Substrate Binding and Catalysis of Human Lipocalin Prostaglandin D Synthase.
J.Lipid Res., 54, 2013
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
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, 36H6 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-01
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
著者Wang, X, Wang, Z.
登録日2022-02-25
公開日2023-03-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7WP8
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BU of 7wp8 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies
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, 2B4 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-08
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7XD2
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BU of 7xd2 by Molmil
SARS-CoV-2 S ectodomain trimer in complex with neutralizing antibody 10-5B
分子名称: H chain of antibody 10-5B, L chian of antibody 10-5B, Spike glycoprotein
著者Wang, X, Wang, Z.
登録日2022-03-26
公開日2023-07-12
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
5NPP
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2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA
分子名称: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DIMETHYL SULFOXIDE, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Bax, B.D, Chan, P.F, Stavenger, R.A.
登録日2017-04-18
公開日2017-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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