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7XU5
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BU of 7xu5 by Molmil
Structure of SARS-CoV-2 D614G Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation
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, BILIVERDINE IX ALPHA, ...
著者Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G.
登録日2022-05-18
公開日2022-07-20
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
7YOJ
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BU of 7yoj by Molmil
Structure of CasPi with guide RNA and target DNA
分子名称: CasPi, DNA (30-MER), DNA (5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*CP*CP*AP*G)-3'), ...
著者Li, C.P, Wang, J, Liu, J.J.
登録日2022-08-01
公開日2023-02-15
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献The compact Cas pi (Cas12l) 'bracelet' provides a unique structural platform for DNA manipulation.
Cell Res., 33, 2023
7XU3
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BU of 7xu3 by Molmil
Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), Closed Conformation
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, BILIVERDINE IX ALPHA, ...
著者Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G.
登録日2022-05-18
公開日2022-07-20
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
7XU6
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BU of 7xu6 by Molmil
Structure of SARS-CoV-2 Spike Protein with Engineered x3 Disulfide (x3(D427C, V987C) and single Arg S1/S2 cleavage site), incubated in Low pH after 40-Day Storage in PBS, Locked-2 Conformation
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, BILIVERDINE IX ALPHA, ...
著者Qu, K, Chen, Q, Ciazynska, K.A, Liu, B, Zhang, X, Wang, J, He, Y, Guan, J, He, J, Liu, T, Zhang, X, Carter, A.P, Xiong, X, Briggs, J.A.G.
登録日2022-05-18
公開日2022-07-20
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Engineered disulfide reveals structural dynamics of locked SARS-CoV-2 spike.
Plos Pathog., 18, 2022
7XO2
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BU of 7xo2 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-4) Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-04-30
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7XO1
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BU of 7xo1 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-1) Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-04-30
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7XO0
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BU of 7xo0 by Molmil
Minor polymorph inalpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-1) Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-04-30
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7XO3
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BU of 7xo3 by Molmil
Type 1C alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-4) Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-04-30
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7WU1
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BU of 7wu1 by Molmil
Crystal structure of phospholipase D from Moritella sp. JT01
分子名称: 1,2-ETHANEDIOL, Phospholipase D, SODIUM ION
著者Wang, Y.H, Mao, X.J, Wang, J, Wang, F.H.
登録日2022-02-05
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of phospholipase D from Moritella sp. JT01
To Be Published
7YVR
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BU of 7yvr by Molmil
Crystal Structure of L-Threonine Aldolase from Neptunomonas marina
分子名称: GLYCEROL, L-threonine aldolase
著者He, Y.Z, Wang, J, Yan, W.P, Zhang, Y, Feng, Y.
登録日2022-08-19
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Engineering of the L-Threonine Aldolase from Neptunomonas marine for the Efficient Synthesis of beta-Hydroxy-alpha-amino Acids via C-C Formation
Acs Catalysis, 2023
7Y62
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BU of 7y62 by Molmil
Crystal structure of human TFEB HLHLZ domain
分子名称: Transcription factor EB
著者Yang, G, Li, P, Lin, Y, Liu, Z, Sun, H, Zhao, Z, Fang, P, Wang, J.
登録日2022-06-18
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A small-molecule drug inhibits autophagy gene expression through the central regulator TFEB.
Proc.Natl.Acad.Sci.USA, 120, 2023
6CIS
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BU of 6cis by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047
分子名称: 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CIY
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BU of 6ciy by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG069
分子名称: 1,2-ETHANEDIOL, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CD4
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BU of 6cd4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046
分子名称: 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Xu, X, Blacklow, S.C.
登録日2018-02-08
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CD5
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BU of 6cd5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD17-26
分子名称: 1,2-ETHANEDIOL, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-08
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CJ2
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BU of 6cj2 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG056
分子名称: 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Xu, X, Blacklow, S.C.
登録日2018-02-26
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
Acs Chem.Biol., 13, 2018
6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
8YSA
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BU of 8ysa by Molmil
The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102
分子名称: 3C-like proteinase nsp5, BOC-TBG-PHE-ELL
著者Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X.
登録日2024-03-22
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease
To Be Published
6IEG
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BU of 6ieg by Molmil
Crystal structure of human MTR4
分子名称: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
著者Chen, J.Y, Yun, C.H.
登録日2018-09-14
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
7V6A
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BU of 7v6a by Molmil
Cry-EM structure of M4-c110-G protein complex
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V69
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BU of 7v69 by Molmil
Cryo-EM structure of a class A GPCR-G protein complex
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V68
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BU of 7v68 by Molmil
An Agonist and PAM-bound Class A GPCR with Gi protein complex structure
分子名称: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, J.J, Wu, L.J, Wu, M, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
4CCP
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BU of 4ccp by Molmil
X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS
分子名称: PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE
著者Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J.
登録日1990-02-28
公開日1991-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis.
Biochemistry, 29, 1990
9FMM
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BU of 9fmm by Molmil
Structure of human ACE2 in complex with a fluorinated small molecule inhibitor
分子名称: (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Benoit, R.B, Rodrigues, M.J, Wieser, M.M.
登録日2024-06-06
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2
European Journal of Nuclear Medicine and Molecular Imaging, 2024
1NFD
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BU of 1nfd by Molmil
AN ALPHA-BETA T CELL RECEPTOR (TCR) HETERODIMER IN COMPLEX WITH AN ANTI-TCR FAB FRAGMENT DERIVED FROM A MITOGENIC ANTIBODY
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H57 FAB, N15 ALPHA-BETA T-CELL RECEPTOR
著者Wang, J.-H, Lim, K, Smolyar, A, Teng, M.-K, Sacchittini, J, Reinherz, E.L.
登録日1997-08-04
公開日1998-01-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atomic structure of an alphabeta T cell receptor (TCR) heterodimer in complex with an anti-TCR fab fragment derived from a mitogenic antibody.
EMBO J., 17, 1998

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