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3IUL
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BU of 3iul by Molmil
apPEP_WT1 opened state
分子名称: GLYCEROL, Prolyl endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
7X4E
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BU of 7x4e by Molmil
Structure of 10635-DndE
分子名称: DNA sulfur modification protein DndE, GLYCEROL
著者Haiyan, G, Wei, H, Chen, S, Wang, L, Wu, G.
登録日2022-03-02
公開日2022-04-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural and Functional Analysis of DndE Involved in DNA Phosphorothioation in the Haloalkaliphilic Archaea Natronorubrum bangense JCM10635.
Mbio, 13, 2022
3IUJ
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BU of 3iuj by Molmil
apPEP_WT2 opened state
分子名称: Prolyl endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUM
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BU of 3ium by Molmil
apPEP_WTX opened state
分子名称: GLYCEROL, Prolyl Endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
3IUN
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BU of 3iun by Molmil
apPEP_D622N opened state
分子名称: GLYCEROL, Prolyl Endopeptidase
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
6JIJ
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BU of 6jij by Molmil
The Crystal Structure of Main Protease from Mouse Hepatitis Virus A59 in Complex with an inhibitor
分子名称: 02J-ALA-VAL-LEU-PJE-010, Replicative polyprotein 1ab
著者Cui, W, Cui, S.S.
登録日2019-02-21
公開日2019-04-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The crystal structure of main protease from mouse hepatitis virus A59 in complex with an inhibitor.
Biochem. Biophys. Res. Commun., 511, 2019
8FSL
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BU of 8fsl by Molmil
Human Mesothelin bound to a neutralizing VH domain antibody
分子名称: Mesothelin, VH domain
著者Calero, G.
登録日2023-01-10
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Preclinical assessment of a novel human antibody VH domain targeting mesothelin as an antibody-drug conjugate.
Mol Ther Oncolytics, 31, 2023
6KW1
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BU of 6kw1 by Molmil
The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b
分子名称: 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
著者Yang, K.W, Xiang, Y.
登録日2019-09-05
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.775212 Å)
主引用文献Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor.
Biomolecules, 10, 2020
6MEV
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BU of 6mev by Molmil
Structure of JMJD6 bound to Mono-Methyl Arginine.
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ...
著者Lee, S, Zhang, G.
登録日2018-09-07
公開日2019-09-18
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
7VND
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BU of 7vnd by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UUD-state, state 2)
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Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T.
登録日2021-10-10
公開日2021-11-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants.
Signal Transduct Target Ther, 6, 2021
7VNE
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BU of 7vne by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113.1 (UUU-state)
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T.
登録日2021-10-10
公開日2021-11-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants.
Signal Transduct Target Ther, 6, 2021
7VNB
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BU of 7vnb by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with a human single domain antibody n3113
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, n3113
著者Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T.
登録日2021-10-10
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants.
Signal Transduct Target Ther, 6, 2021
7VNC
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BU of 7vnc by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UDD-state, state 1)
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T.
登録日2021-10-10
公開日2021-11-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants.
Signal Transduct Target Ther, 6, 2021
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXE
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BU of 7kxe by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7JT4
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BU of 7jt4 by Molmil
Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan
分子名称: Nucleosome-remodeling factor subunit BPTF
著者Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2020-08-17
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
2H2Z
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BU of 2h2z by Molmil
Crystal structure of SARS-CoV main protease with authentic N and C-termini
分子名称: Replicase polyprotein 1ab
著者Yang, H, Xue, X, Shen, W, Zhao, Q, Rao, Z.
登録日2006-05-20
公開日2007-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
7KU4
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BU of 7ku4 by Molmil
DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
分子名称: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, W.D.
登録日2020-11-24
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
7KWK
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BU of 7kwk by Molmil
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
分子名称: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Ogbonna, E, Fang, Z, Wilson, D.W.
登録日2020-12-01
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
2HOB
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BU of 2hob by Molmil
Crystal structure of SARS-CoV main protease with authentic N and C-termini in complex with a Michael acceptor N3
分子名称: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Replicase polyprotein 1ab
著者Xue, X, Yang, H, Shen, W, Zhao, Q, Li, J, Rao, Z.
登録日2006-07-14
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
5FHE
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BU of 5fhe by Molmil
Crystal structure of Bacteroides Pif1 bound to ssDNA
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
著者Zhou, X, Ren, W, Bharath, S.R, Song, H.
登録日2015-12-22
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
5IGX
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BU of 5igx by Molmil
Crystal structure of NIH45-46 Fab germline precursor in complex with 426c.TM1deltaV1-3 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 426c.TM1deltaV1-3 gp120, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scharf, L, Bjorkman, P.J.
登録日2016-02-28
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
5FHF
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BU of 5fhf by Molmil
Crystal structure of Bacteroides sp Pif1 in complex with ADP-AlF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, TETRAFLUOROALUMINATE ION, Uncharacterized protein
著者Zhou, X, Ren, W, Bharath, S.R, Song, H.
登録日2015-12-22
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
5I8D
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BU of 5i8d by Molmil
Crystal Structure of Mouse Cadherin-23 EC19-21 S2064P
分子名称: CALCIUM ION, Cadherin-23
著者Jaiganesh, A, Sotomayor, M.
登録日2016-02-18
公開日2017-08-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness.
Structure, 2018

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