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5SQC
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894388 - (R,R) and (S,S) isomers
分子名称: (1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H77
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Hsp90-AhR-p23-XAP2 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
著者Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
登録日2022-10-19
公開日2023-01-04
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
5SQ6
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894406
分子名称: 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V5I
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BU of 4v5i by Molmil
Structure of the Phage P2 Baseplate in its Activated Conformation with Ca
分子名称: CALCIUM ION, ORF15, ORF16, ...
著者Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C.
登録日2010-02-05
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (5.464 Å)
主引用文献Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
8HGQ
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BU of 8hgq by Molmil
The apo-flavodoxin dimer from Synechococcus elongatus PCC 7942
分子名称: Flavodoxin, PHOSPHATE ION
著者Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P.
登録日2022-11-15
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin.
Biochem.Biophys.Res.Commun., 639, 2022
8GWE
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BU of 8gwe by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP
分子名称: Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ...
著者Yan, L.M, Rao, Z.H, Lou, Z.Y.
登録日2022-09-16
公開日2023-01-11
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
5SQ5
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BU of 5sq5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894407 - (R,S) and (S,S) isomers
分子名称: (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V5V
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Structure of respiratory syncytial virus nucleocapsid protein, P1 crystal form
分子名称: RESPIRATORY SYNCYTIAL VIRUS NUCLEOCAPSID PROTEIN, RNA
著者El Omari, K, Dhaliwal, B, Ren, J, Abrescia, N.G.A, Lockyer, M, Powell, K.L, Hawkins, A.R, Stammers, D.K.
登録日2011-05-04
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structures of Respiratory Syncytial Virus Nucleocapsid Protein from Two Crystal Forms: Details of Potential Packing Interactions in the Native Helical Form.
Acta Crystallogr.,Sect.F, 67, 2011
8BX8
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BU of 8bx8 by Molmil
In situ outer dynein arm from Chlamydomonas reinhardtii in the post-power stroke state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Zimmermann, N.E.L, Noga, A, Obbineni, J.M, Ishikawa, T.
登録日2022-12-08
公開日2023-05-10
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (30.299999 Å)
主引用文献ATP-induced conformational change of axonemal outer dynein arms revealed by cryo-electron tomography.
Embo J., 42, 2023
5SSF
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCmr000000sTGN
分子名称: 4-[(4-bromo-3-cyanophenyl)sulfamoyl]-5-methylfuran-2-carboxamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HMQ
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BU of 8hmq by Molmil
Crystal Structure of PKM2 mutant P403A
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ...
著者Upadhyay, S, Kumar, A, Patel, A.K.
登録日2022-12-05
公開日2023-01-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2
To Be Published
5SS0
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BU of 5ss0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCn9000000uj1v
分子名称: 3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GWF
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BU of 8gwf by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
著者Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2023-01-11
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
4V6K
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BU of 4v6k by Molmil
Structural insights into cognate vs. near-cognate discrimination during decoding.
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Agirrezabala, X, Schreiner, E, Trabuco, L.G, Lei, J, Ortiz-Meoz, R.F, Schulten, K, Green, R, Frank, J.
登録日2011-01-07
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (8.25 Å)
主引用文献Structural insights into cognate versus near-cognate discrimination during decoding.
Embo J., 30, 2011
8HG1
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BU of 8hg1 by Molmil
The structure of MPXV polymerase holoenzyme in replicating state
分子名称: DNA (25-MER), DNA (38-MER), DNA polymerase, ...
著者Peng, Q, Xie, Y.F, Kuai, L, Wang, H, Qi, J.X, Gao, F, Shi, Y.
登録日2022-11-13
公開日2022-12-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of monkeypox virus DNA polymerase holoenzyme.
Science, 379, 2023
5SQA
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BU of 5sqa by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894395 - (R,R) and (S,S) isomers
分子名称: (1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8S1K
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BU of 8s1k by Molmil
Crystal Structure of human FABP4 in complex with 2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
分子名称: (6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst-Sander, U, Rudolph, M.G.
登録日2024-02-15
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
2RDK
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BU of 2rdk by Molmil
Five site mutated Cyanovirin-N with Mannose dimer bound
分子名称: Cyanovirin-N, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
著者Fromme, R, Katiliene, Z, Fromme, P, Ghirlanda, G.
登録日2007-09-24
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Conformational gating of dimannose binding to the antiviral protein cyanovirin revealed from the crystal structure at 1.35 A resolution.
Protein Sci., 17, 2008
4V4N
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BU of 4v4n by Molmil
Structure of the Methanococcus jannaschii ribosome-SecYEBeta channel complex
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein L7AE, ...
著者Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W.
登録日2013-06-17
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Structure of the SecY channel during initiation of protein translocation.
Nature, 506, 2013
5SQ9
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BU of 5sq9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894420 - (R,R) and (S,S) isomers
分子名称: (1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V6U
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BU of 4v6u by Molmil
Promiscuous behavior of proteins in archaeal ribosomes revealed by cryo-EM: implications for evolution of eukaryotic ribosomes
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10P, ...
著者Armache, J.-P, Anger, A.M, Marquez, V, Frankenberg, S, Froehlich, T, Villa, E, Berninghausen, O, Thomm, M, Arnold, G.J, Beckmann, R, Wilson, D.N.
登録日2012-08-09
公開日2014-07-09
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Promiscuous behaviour of archaeal ribosomal proteins: Implications for eukaryotic ribosome evolution.
Nucleic Acids Res., 41, 2013
8HA0
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BU of 8ha0 by Molmil
Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhao, L, Xu, H.E, Yuan, Q.
登録日2022-10-26
公開日2022-12-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
4V7B
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Visualization of two tRNAs trapped in transit during EF-G-mediated translocation
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Ramrath, D.J.F, Lancaster, L, Sprink, T, Mielke, T, Loerke, J, Noller, H.F, Spahn, C.M.T.
登録日2013-10-27
公開日2014-07-09
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Visualization of two transfer RNAs trapped in transit during elongation factor G-mediated translocation.
Proc.Natl.Acad.Sci.USA, 110, 2013
2RTI
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BU of 2rti by Molmil
STREPTAVIDIN-GLYCOLURIL COMPLEX, PH 2.50, SPACE GROUP I222
分子名称: FORMIC ACID, GLYCOLURIL, STREPTAVIDIN
著者Katz, B.A.
登録日1997-09-11
公開日1998-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
5SQ7
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BU of 5sq7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1445235880
分子名称: 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzofuran-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023

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