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1Y9X
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BU of 1y9x by Molmil
Solution structure of Archaeon DNA-binding protein ssh10b
分子名称: DNA/RNA-binding protein Alba 1
著者Cui, Q, Tong, Y, Wang, J.
登録日2004-12-16
公開日2005-06-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A stabilizing alpha/beta-hydrophobic core greatly contributes to hyperthermostability of archaeal [P62A]Ssh10b.
Biochemistry, 47, 2008
3F75
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BU of 3f75 by Molmil
Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2008-11-07
公開日2008-11-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl.
J.Biol.Chem., 284, 2009
3HFD
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BU of 3hfd by Molmil
Nucleosome Assembly Protein 1 from Plasmodium knowlesi
分子名称: Nucleosome assembly protein 1
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-05-11
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nucleosome Assembly Protein 1 from Plasmodium knowlesi
To be Published
2FTO
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BU of 2fto by Molmil
Y94F mutant of thymidylate synthase bound to thymidine-5'-phosphate and 10-propargyl-5,8-dideazafolid acid
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, PHOSPHATE ION, THYMIDINE-5'-PHOSPHATE, ...
著者Roberts, S.A, Montfort, W.R.
登録日2006-01-24
公開日2006-05-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Y94F mutant of Escherichia coli thymidylate synthase.
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
2FTN
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E. coli thymidylate synthase Y94F mutant
分子名称: SULFATE ION, Thymidylate synthase
著者Montfort, W.R, Roberts, S.A.
登録日2006-01-24
公開日2006-05-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the Y94F mutant of Escherichia coli thymidylate synthase.
ACTA CRYSTALLOGR.,SECT.F, 62, 2006
7EKM
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BU of 7ekm by Molmil
Mitochondrial outer membrane protein
分子名称: ATP-binding cassette sub-family B member 6, mitochondrial
著者Zhang, S.S.
登録日2021-04-05
公開日2021-08-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular insights into the human ABCB6 transporter.
Cell Discov, 7, 2021
7EKL
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BU of 7ekl by Molmil
Mitochondrial outer membrane protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family B member 6, MAGNESIUM ION
著者Zhang, S.S.
登録日2021-04-05
公開日2021-08-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular insights into the human ABCB6 transporter.
Cell Discov, 7, 2021
3ROK
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BU of 3rok by Molmil
Crystal structure of human CD38 in complex with compound CZ-27
分子名称: 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1
著者Zhang, H, Lee, H.C, Hao, Q.
登録日2011-04-26
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
2MJY
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BU of 2mjy by Molmil
Solution structure of synthetic Mamba-1 peptide
分子名称: Mambalgin-1
著者He, Y, Wu, F, Tian, C.
登録日2014-01-21
公開日2015-01-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献One-pot hydrazide-based native chemical ligation for efficient chemical synthesis and structure determination of toxin Mambalgin-1
Chem.Commun.(Camb.), 50, 2014
7KN5
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BU of 7kn5 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobodies VHH E and U
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
登録日2020-11-04
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
7KSG
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BU of 7ksg by Molmil
SARS-CoV-2 spike in complex with nanobodies E
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2 glycoprotein, Spike glycoprotein
著者Hallberg, B.M, Das, H.
登録日2020-11-22
公開日2021-01-20
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
7KN6
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BU of 7kn6 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH V and antibody Fab CC12.3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ...
著者Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
登録日2020-11-04
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
7KN7
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BU of 7kn7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH W and antibody Fab CC12.3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, CC12.3 Fab light chain, ...
著者Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
登録日2020-11-04
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
3ROQ
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BU of 3roq by Molmil
Crystal structure of human CD38 in complex with compound CZ-46
分子名称: (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate, ADP-ribosyl cyclase 1
著者Zhang, H, Lee, H.C, Hao, Q.
登録日2011-04-26
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
6JCN
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BU of 6jcn by Molmil
Yeast dehydrodolichyl diphosphate synthase complex subunit NUS1
分子名称: Dehydrodolichyl diphosphate synthase complex subunit NUS1, SULFATE ION
著者Ko, T.-P, Ma, J, Liu, W, Chen, C.-C, Guo, R.-T.
登録日2019-01-29
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Structural insights to heterodimeric cis-prenyltransferases through yeast dehydrodolichyl diphosphate synthase subunit Nus1.
Biochem.Biophys.Res.Commun., 515, 2019
7F7N
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BU of 7f7n by Molmil
Solution structure of apo-WhiB4 from Mycobacterium tuberculosis
分子名称: Transcriptional regulator WhiB4
著者Xia, B, Duan, B.
登録日2021-06-30
公開日2021-11-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献DNA binding mechanism of WhiB4 from Mycobacterium tuberculosis
Magn Reson Lett, 2, 2022
5MXB
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BU of 5mxb by Molmil
Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin
分子名称: Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, SODIUM ION, ...
著者Sliwiak, J, Sikorski, M, Jaskolski, M.
登録日2017-01-22
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
5MXW
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BU of 5mxw by Molmil
Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin and trans-zeatin.
分子名称: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ...
著者Sliwiak, J, Sikorski, M, Jaskolski, M.
登録日2017-01-25
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
7FCD
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BU of 7fcd by Molmil
Structure of the SARS-CoV-2 A372T spike glycoprotein (open)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Wang, X, Zhang, S.
登録日2021-07-14
公開日2022-01-26
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
7FCE
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BU of 7fce by Molmil
Structure of the SARS-CoV-2 A372T spike glycoprotein (closed)
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, Zhang, S.
登録日2021-07-14
公開日2022-01-26
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
7L00
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BU of 7l00 by Molmil
Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
分子名称: Enoyl-Acyl Carrier Protein Reductase FabK, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Akhtar, A, Santarsiero, B.D, Hevener, K.E.
登録日2020-12-10
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
To be published
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
分子名称: Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-08-14
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
7EPQ
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Crystal structure of exopolyphosphatase (PPX) from Porphyromonas gingivalis in complex with sulfate and magnesium ions
分子名称: MAGNESIUM ION, Putative exopolyphosphatase, SULFATE ION
著者Zhang, A.
登録日2021-04-27
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of exopolyphosphatase (PPX) from Porphyromonas gingivalis in complex with substrate analogs and magnesium ions reveals the basis for polyphosphate processivity.
J.Struct.Biol., 213, 2021
1I1N
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BU of 1i1n by Molmil
HUMAN PROTEIN L-ISOASPARTATE O-METHYLTRANSFERASE WITH S-ADENOSYL HOMOCYSTEINE
分子名称: PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE
著者Smith, C.D, Chattopadhyay, D, Carson, M, Friedman, A.M, Skinner, M.M.
登録日2001-02-02
公開日2002-03-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human L-isoaspartyl-O-methyl-transferase with S-adenosyl homocysteine at 1.6-A resolution and modeling of an isoaspartyl-containing peptide at the active site.
Protein Sci., 11, 2002
4J53
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BU of 4j53 by Molmil
Crystal structure of PLK1 in complex with TAK-960
分子名称: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
著者Hosfield, D.J, Skene, R.J.
登録日2013-02-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013

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