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7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-08-12
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
7WSO
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BU of 7wso by Molmil
Structure of a membrane protein G
分子名称: B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, Immunoglobulin heavy constant gamma 1
著者Ma, X, Zhu, Y, Chen, Y, Huang, Z.
登録日2022-01-30
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Cryo-EM structures of two human B cell receptor isotypes.
Science, 377, 2022
2FZL
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BU of 2fzl by Molmil
Structure of C-terminal domain of Archaeoglobus fulgidus XPB
分子名称: DNA repair protein RAD25, XPB, ISOPROPYL ALCOHOL
著者Fan, L, Arvai, A.S, Tainer, J.A.
登録日2006-02-09
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Conserved XPB Core Structure and Motifs for DNA Unwinding: Implications for Pathway Selection of Transcription or Excision Repair
Mol.Cell, 22, 2006
2FWR
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BU of 2fwr by Molmil
Structure of Archaeoglobus Fulgidis XPB
分子名称: DNA repair protein RAD25, ISOPROPYL ALCOHOL, PHOSPHATE ION
著者Fan, L, Arvai, A.S, Tainer, J.A.
登録日2006-02-02
公開日2006-04-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conserved XPB Core Structure and Motifs for DNA Unwinding: Implications for Pathway Selection of Transcription or Excision Repair
Mol.Cell, 22, 2006
7XT6
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BU of 7xt6 by Molmil
Structure of a membrane protein M3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, ...
著者Ma, X, Zhu, Y, Chen, Y, Huang, Z.
登録日2022-05-16
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Cryo-EM structures of two human B cell receptor isotypes.
Science, 377, 2022
2KMU
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BU of 2kmu by Molmil
RecQL4 Amino-terminal Domain
分子名称: ATP-dependent DNA helicase Q4
著者Ohlenschlager, O, Gorlach, M, Pospiech, H.
登録日2009-08-05
公開日2010-07-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The N-terminus of the human RecQL4 helicase is a homeodomain-like DNA interaction motif
Nucleic Acids Res., 40, 2012
4KN0
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BU of 4kn0 by Molmil
Human folate receptor beta (FOLR2) in complex with the antifolate methotrexate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Folate receptor beta, ...
著者Wibowo, A.S, Dann III, C.E.
登録日2013-05-08
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
7VSQ
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BU of 7vsq by Molmil
Crystal strcuture of the tandem B-Box domains of CONSTANS
分子名称: ZINC ION, Zinc finger protein CONSTANS
著者Liu, R, Lv, X, Du, J.
登録日2021-10-27
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
7VSP
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BU of 7vsp by Molmil
Crystal strcuture of the tandem B-Box domains of COL2
分子名称: ZINC ION, Zinc finger protein CONSTANS-LIKE 2
著者Lv, X, Liu, R, Du, J.
登録日2021-10-27
公開日2022-03-02
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
4KMX
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BU of 4kmx by Molmil
Human folate receptor alpha (FOLR1) at acidic pH, hexagonal form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Wibowo, A.S, Dann III, C.E.
登録日2013-05-08
公開日2013-08-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KN2
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BU of 4kn2 by Molmil
Human folate receptor beta (FOLR2) in complex with antifolate pemetrexed
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, CHLORIDE ION, ...
著者Wibowo, A.S, Dann III, C.E.
登録日2013-05-08
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
7VRS
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BU of 7vrs by Molmil
The complex of Acyltransferase and Acyl Carrier Protein Domains from module 9 of Salinomycin Polyketide Synthase
分子名称: 1,1'-butane-1,4-diylbis(1H-pyrrole-2,5-dione), 4'-PHOSPHOPANTETHEINE, Type I modular polyketide synthase
著者Feng, Y, Zheng, J.
登録日2021-10-24
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural visualization of transient interactions between the cis-acting acyltransferase and acyl carrier protein of the salinomycin modular polyketide synthase.
Acta Crystallogr D Struct Biol, 78, 2022
4OO8
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BU of 4oo8 by Molmil
Crystal structure of Streptococcus pyogenes Cas9 in complex with guide RNA and target DNA
分子名称: CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*CP*CP*AP*GP*CP*CP*AP*AP*GP*CP*GP*CP*AP*CP*CP*TP*AP*AP*TP*TP*TP*CP*C)-3'), RNA (97-MER)
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2014-01-31
公開日2014-02-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Cas9 in complex with guide RNA and target DNA
Cell(Cambridge,Mass.), 156, 2014
7VTI
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BU of 7vti by Molmil
Crystal structure of the Cas13bt3-crRNA binary complex
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Nakagawa, R, Takeda, N.S, Tomita, A, Hirano, H, Kusakizako, T, Nishizawa, T, Yamashita, K, Nishimasu, H, Nureki, O.
登録日2021-10-29
公開日2022-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure and engineering of the minimal type VI CRISPR-Cas13bt3.
Mol.Cell, 82, 2022
7K0V
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BU of 7k0v by Molmil
Crystal structure of bRaf in complex with inhibitor GNE-0749
分子名称: CHLORIDE ION, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, Non-specific serine/threonine protein kinase
著者Yin, J, Eigenbrot, C.E, Wang, W.
登録日2020-09-06
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
5T5T
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BU of 5t5t by Molmil
AMPK bound to allosteric activator
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Calabrese, M.F, Kurumbail, R.G.
登録日2016-08-31
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Selective Activation of AMPK beta 1-Containing Isoforms Improves Kidney Function in a Rat Model of Diabetic Nephropathy.
J. Pharmacol. Exp. Ther., 361, 2017
7KSP
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BU of 7ksp by Molmil
Crystal structure of hSAMD9_DBD with DNA
分子名称: DNA, Sterile alpha motif domain-containing protein 9
著者Peng, S, Pathak, P, Xiang, Y, Deng, J.
登録日2020-11-23
公開日2022-01-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and function of an effector domain in antiviral factors and tumor suppressors SAMD9 and SAMD9L.
Proc.Natl.Acad.Sci.USA, 119, 2022
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Wang, J, Chen, Y.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7LYH
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BU of 7lyh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1
分子名称: 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
著者Sacco, M, Wang, J, Chen, Y.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
4JPH
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BU of 4jph by Molmil
Crystal structure of Protein Related to DAN and Cerberus (PRDC)
分子名称: CITRIC ACID, GLUTATHIONE, GLYCEROL, ...
著者Deng, X, Nolan, K.T, Kattamuri, C, Thompson, T.B.
登録日2013-03-19
公開日2013-07-24
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of protein related to dan and cerberus: insights into the mechanism of bone morphogenetic protein antagonism.
Structure, 21, 2013
4KMZ
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BU of 4kmz by Molmil
Human folate receptor beta (FOLR2) in complex with the folate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FOLIC ACID, ...
著者Wibowo, A.S, Dann III, C.E.
登録日2013-05-08
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
3CQW
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BU of 3cqw by Molmil
Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor
分子名称: 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, Glycogen synthase kinase-3 beta, MANGANESE (II) ION, ...
著者Pandit, J.
登録日2008-04-03
公開日2008-05-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and structure based optimization of novel Akt inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CQU
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BU of 3cqu by Molmil
Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor
分子名称: Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase
著者Pandit, J.
登録日2008-04-03
公開日2008-05-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and structure based optimization of novel Akt inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
4KMY
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BU of 4kmy by Molmil
Human folate receptor beta (FOLR2) at neutral pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Folate receptor beta, POTASSIUM ION
著者Wibowo, A.S, Dann III, C.E.
登録日2013-05-08
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
7LTZ
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BU of 7ltz by Molmil
Bruton's tyrosine kinase in complex with compound 51
分子名称: 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ...
著者Metrick, C.M, Marcotte, D.J.
登録日2021-02-20
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022

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