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223L
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BU of 223l by Molmil
GENERATING LIGAND BINDING SITES IN T4 LYSOZYME USING DEFICIENCY-CREATING SUBSTITUTIONS
分子名称: BENZENE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Baldwin, E.P, Baase, W.A, Zhang, X.-J, Feher, V, Matthews, B.W.
登録日1997-06-25
公開日1998-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
J.Mol.Biol., 277, 1998
7XQ8
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BU of 7xq8 by Molmil
Structure of human B-cell antigen receptor of the IgM isotype
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, ...
著者Chen, M.Y, Su, Q, Shi, Y.G.
登録日2022-05-07
公開日2022-08-17
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the human IgM B cell receptor.
Science, 377, 2022
6B1E
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BU of 6b1e by Molmil
The structure of DPP4 in complex with Vildagliptin
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-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne, ...
著者Scapin, G.
登録日2017-09-18
公開日2017-09-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice.
Endocrinol Diabetes Metab, 1, 2018
8GU7
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BU of 8gu7 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin 1-associated autophagy-related key regulator, Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-11
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8GT9
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BU of 8gt9 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
分子名称: Beclin-2
著者Qiu, X, Zhao, Y.
登録日2022-09-07
公開日2023-07-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8TLH
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BU of 8tlh by Molmil
CDCA7 (Mouse) Binds Non-B-form 32-mer DNA oligo
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLF
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BU of 8tlf by Molmil
CDCA7 (Mouse) Binds Non-B-form DNA oligo 36-mer (sg C2-Form 2)
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, GLYCEROL, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLK
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BU of 8tlk by Molmil
CDCA7 (Human) Binds Non-B-form 32-mer DNA oligo Containing a 5mC
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLJ
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BU of 8tlj by Molmil
CDCA7 (Mouse) Binds Non-B-form 32-mer DNA oligo Containing a 5mC
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLL
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BU of 8tll by Molmil
CDCA7 (Mouse) Binds Non-B-form 26-mer DNA oligo
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (26-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Sci Adv, 10, 2024
8TLE
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BU of 8tle by Molmil
CDCA7 (Mouse) Binds Non-B-form 36-mer DNA oligo (sg C2-Form 1)
分子名称: Cell division cycle-associated protein 7, MAGNESIUM ION, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
3GXB
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BU of 3gxb by Molmil
Crystal structure of VWF A2 domain
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, SULFATE ION, ...
著者Zhou, Y.F, Springer, T.A.
登録日2009-04-02
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural specializations of A2, a force-sensing domain in the ultralarge vascular protein von Willebrand factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
8TLG
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BU of 8tlg by Molmil
CDCA7 (Mouse) Binds Non-B-form 34-mer DNA oligo
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (34-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
6B1O
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BU of 6b1o by Molmil
The structure of DPP4 in complex with Vildagliptin Analog
分子名称: (2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one, 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Scapin, G.
登録日2017-09-18
公開日2017-09-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A comparative study of the binding properties, dipeptidyl peptidase-4 (DPP-4) inhibitory activity and glucose-lowering efficacy of the DPP-4 inhibitors alogliptin, linagliptin, saxagliptin, sitagliptin and vildagliptin in mice.
Endocrinol Diabetes Metab, 1, 2018
6BEK
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BU of 6bek by Molmil
Structure of sIHF bound to an 8bp palindromic DNA
分子名称: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'), POTASSIUM ION, SCO1480
著者Guarne, A, Nanji, T.N, Shen, Y.
登録日2017-10-25
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Streptomyces IHF uses multiple interfaces to bind DNA.
Biochim Biophys Acta Gen Subj, 1863, 2019
8H1T
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BU of 8h1t by Molmil
Cryo-EM structure of BAP1-ASXL1 bound to chromatosome
分子名称: DNA (187-MER), Histone H1.4, Histone H2A type 1-D, ...
著者Ge, W, Yu, C, Xu, R.M.
登録日2022-10-04
公開日2023-02-01
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Basis of the H2AK119 specificity of the Polycomb repressive deubiquitinase.
Nature, 616, 2023
8HIF
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BU of 8hif by Molmil
One asymmetric unit of Singapore grouper iridovirus capsid
分子名称: Major capsid protein, Penton protein (VP14), VP137, ...
著者Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F.
登録日2022-11-20
公開日2023-04-19
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly.
Nat Commun, 14, 2023
8GXP
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BU of 8gxp by Molmil
Complex structure of RORgama with betulinic acid
分子名称: Betulinic acid, Nuclear receptor ROR-gamma
著者Zhang, X.L, Xu, C, Bai, F.
登録日2022-09-20
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
2IBJ
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BU of 2ibj by Molmil
Structure of House Fly Cytochrome B5
分子名称: Cytochrome b5, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Terzyan, S, Zhang, X.C, Benson, D.R, Wang, L.
登録日2006-09-11
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Comparison of cytochromes b(5) from insects and vertebrates.
Proteins, 67, 2007
5YHQ
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BU of 5yhq by Molmil
Cryo-EM Structure of CVA6 VLP
分子名称: Capsid protein VP1, Capsid protein VP3, capsid protein VP0
著者Chen, J, Zhang, C, Huang, Z, Cong, Y.
登録日2017-09-29
公開日2017-10-25
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A 3.0-Angstrom Resolution Cryo-Electron Microscopy Structure and Antigenic Sites of Coxsackievirus A6-Like Particles.
J. Virol., 92, 2018
8H6I
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BU of 8h6i by Molmil
The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors
分子名称: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-17
公開日2023-10-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H7K
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BU of 8h7k by Molmil
SARS-CoV-2 Mpro Double Mutant (H41A and T21I) in complex with nsp4/5 peptidyl substrate
分子名称: 3C-like proteinase nsp5, nsp4/5 peptidyl substrate
著者Lin, M, Liu, X.
登録日2022-10-20
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
7KX5
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BU of 7kx5 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A
分子名称: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
著者Sacco, M, Wang, J, Chen, Y.
登録日2020-12-03
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
8H5F
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BU of 8h5f by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-13
公開日2023-10-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H7W
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BU of 8h7w by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (S144A) in complex with protease inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-21
公開日2023-10-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023

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