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7ZWR
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BU of 7zwr by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11
分子名称: 1,2-ETHANEDIOL, 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWX
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BU of 7zwx by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 19
分子名称: 1,2-ETHANEDIOL, 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWU
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BU of 7zwu by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 15
分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWP
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BU of 7zwp by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 7
分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
著者Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWT
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BU of 7zwt by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 14
分子名称: 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ...
著者Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
7ZWZ
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BU of 7zwz by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 22
分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
3APR
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BU of 3apr by Molmil
BINDING OF A REDUCED PEPTIDE INHIBITOR TO THE ASPARTIC PROTEINASE FROM RHIZOPUS CHINENSIS. IMPLICATIONS FOR A MECHANISM OF ACTION
分子名称: REDUCED PEPTIDE INHIBITOR, RHIZOPUSPEPSIN
著者Suguna, K, Davies, D.R.
登録日1987-06-22
公開日1988-01-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action.
Proc.Natl.Acad.Sci.USA, 84, 1987
7WLC
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BU of 7wlc by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv282
分子名称: Heavy chain of XGv282, Light chain of XGv282, Spike protein S1
著者Wang, X, Wang, L.
登録日2022-01-13
公開日2022-04-13
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WED
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BU of 7wed by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv347
分子名称: Spike protein S1, The heavy chain of Fab XGv347, The light chain of Fab XGv347
著者Wang, X, Wang, L.
登録日2021-12-23
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEA
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BU of 7wea by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with two XGv347 binding to one close state RBD and one open state RBD
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, Spike glycoprotein, ...
著者Wang, X, Wang, L.
登録日2021-12-23
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WE8
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BU of 7we8 by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv265
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, Heavy chain of Fab 265, ...
著者Wang, X, Wang, L.
登録日2021-12-23
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
6JQ4
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BU of 6jq4 by Molmil
HIGA Escherichia coli-K12
分子名称: Antitoxin HigA
著者She, Z, Xu, B.S.
登録日2019-03-28
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational changes of antitoxin HigA from Escherichia coli str. K-12 upon binding of its cognate toxin HigB reveal a new regulation mechanism in toxin-antitoxin systems.
Biochem.Biophys.Res.Commun., 514, 2019
2MOQ
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BU of 2moq by Molmil
Solution Structure and Molecular determinants of Hemoglobin Binding of the first NEAT Domain of IsdB in Staphylococcus aureus
分子名称: Iron-regulated surface determinant protein B
著者Fonner, B.A, Tripet, B.P, Eilers, B.J, Stanisich, J, Sullivan-Springhetti, R.K, Moore, R, Lui, M, Lei, B, Copie, V.
登録日2014-04-29
公開日2014-07-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure and Molecular Determinants of Hemoglobin Binding of the First NEAT Domain of IsdB in Staphylococcus aureus.
Biochemistry, 53, 2014
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
分子名称: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
著者Lu, M.
登録日2023-01-21
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
1ER8
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BU of 1er8 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: Endothiapepsin, H-77
著者Hemmings, A.M, Veerapandian, B, Szelke, M, Cooper, J.B, Blundell, T.L.
登録日1989-10-16
公開日1991-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
6KNY
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BU of 6kny by Molmil
Structure of Amuc_1100 without transmembrane region from Akkermansia muciniphila
分子名称: Protein Amuc_1100
著者Mou, L.Q, Xiao, Q.J, Deng, D.
登録日2019-08-07
公開日2020-04-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of monomeric Amuc_1100 from Akkermansia muciniphila.
Acta Crystallogr.,Sect.F, 76, 2020
4APR
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BU of 4apr by Molmil
STRUCTURES OF COMPLEXES OF RHIZOPUSPEPSIN WITH PEPSTATIN AND OTHER STATINE-CONTAINING INHIBITORS
分子名称: PEPSTATIN-LIKE RENIN INHIBITOR, RHIZOPUSPEPSIN
著者Suguna, K, Davies, D.R.
登録日1989-08-03
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of complexes of rhizopuspepsin with pepstatin and other statine-containing inhibitors.
Proteins, 13, 1992
7CJM
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BU of 7cjm by Molmil
SARS CoV-2 PLpro in complex with GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
著者Fu, Z, Huang, H.
登録日2020-07-11
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
2LHR
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BU of 2lhr by Molmil
Solution structure of Staphylococcus aureus IsdH linker domain
分子名称: Iron-regulated surface determinant protein H
著者Spirig, T, Clubb, R.T, Malmirchegini, G.R, Robson, S.A.
登録日2011-08-12
公開日2012-11-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Staphylococcus aureus Uses a Novel Multidomain Receptor to Break Apart Human Hemoglobin and Steal Its Heme.
J.Biol.Chem., 288, 2013
6LMS
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BU of 6lms by Molmil
Solution NMR structure cold shock domain of YB1 from Homo sapiens
分子名称: Y-box-binding protein 1
著者Li, S, Zhang, J, Yang, Y.
登録日2019-12-26
公開日2020-07-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation.
Nucleic Acids Res., 48, 2020
6LMR
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BU of 6lmr by Molmil
Solution structure of cold shock domain and ssDNA complex
分子名称: DNA (5'-D(P*AP*AP*CP*AP*CP*CP*T)-3'), Y-box-binding protein 1
著者Fan, J, Yang, D.
登録日2019-12-26
公開日2020-07-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation.
Nucleic Acids Res., 48, 2020
6LRM
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BU of 6lrm by Molmil
Crystal structure of PDE4D catalytic domain in complex with arctigenin
分子名称: 1,2-ETHANEDIOL, Arctigenin, MAGNESIUM ION, ...
著者Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2020-01-16
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation.
J Adv Res, 33, 2021
6LK8
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BU of 6lk8 by Molmil
Structure of Xenopus laevis Cytoplasmic Ring subunit.
分子名称: GATOR complex protein SEC13, MGC154553 protein, MGC83295 protein, ...
著者Shi, Y, Huang, G, Yan, C, Zhang, Y.
登録日2019-12-18
公開日2021-07-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex by cryo-electron microscopy single particle analysis.
Cell Res., 30, 2020
5YTE
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BU of 5yte by Molmil
Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with with natural dT:dATP base pair
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
著者Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry.
Angew. Chem. Int. Ed. Engl., 58, 2019
7YQE
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BU of 7yqe by Molmil
Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
分子名称: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
著者Song, G, Xu, S.
登録日2022-08-06
公開日2023-08-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024

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