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7FIW
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BU of 7fiw by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel)
分子名称: ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIU
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BU of 7fiu by Molmil
Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel
分子名称: ULP_PROTEASE domain-containing protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIT
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BU of 7fit by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel
分子名称: bacteria factor 1
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-08-01
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
6KVF
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BU of 6kvf by Molmil
Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope
分子名称: Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain
著者Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
登録日2019-09-04
公開日2020-09-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
6U3U
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BU of 6u3u by Molmil
Crystal Structure of Shiga Toxin 2K
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Shiga toxin 2K subunit A, ...
著者Zhang, Y.Z, He, X.H.
登録日2019-08-22
公開日2020-07-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.287 Å)
主引用文献Structural and Functional Characterization of Stx2k, a New Subtype of Shiga Toxin 2.
Microorganisms, 8, 2019
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
登録日2020-02-22
公開日2020-04-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
6LPC
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BU of 6lpc by Molmil
Crystal Structure of rat Munc18-1 with K332E/K333E mutation
分子名称: Syntaxin-binding protein 1
著者Wang, X.P, Gong, J.H, Wang, S, Zhu, L, Yang, X.Y, Xu, Y.Y, Yang, X.F, Ma, C.
登録日2020-01-09
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.402 Å)
主引用文献Munc13 activates the Munc18-1/syntaxin-1 complex and enables Munc18-1 to prime SNARE assembly.
Embo J., 39, 2020
8HOM
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BU of 8hom by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, M, Liu, X.
登録日2022-12-10
公開日2023-12-13
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants.
Commun Biol, 6, 2023
8HOL
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BU of 8hol by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro)
分子名称: 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-12-10
公開日2023-12-13
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants.
Commun Biol, 6, 2023
8HOZ
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BU of 8hoz by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with 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2022-12-11
公開日2023-12-13
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants.
Commun Biol, 6, 2023
6U4Y
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BU of 6u4y by Molmil
Crystal Structure of an EZH2-EED Complex in an Oligomeric State
分子名称: Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Jiao, L, Liu, X.
登録日2019-08-26
公開日2020-07-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A partially disordered region connects gene repression and activation functions of EZH2.
Proc.Natl.Acad.Sci.USA, 117, 2020
7F46
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BU of 7f46 by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X.F, Zhu, Y.Q.
登録日2021-06-17
公開日2022-03-23
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (4.79 Å)
主引用文献A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
9JAL
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BU of 9jal by Molmil
Cryo-EM structure of MPXV core protease in complex with compound A1
分子名称: A1ECM-DI8-ALA-ETA, Core protease I7
著者Gao, Y, Xie, X, Lan, W, Wang, W, Yang, H.
登録日2024-08-25
公開日2025-03-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
9JAN
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BU of 9jan by Molmil
Cryo-EM structure of MPXV protease in complex with compound A4
分子名称: A1ECL-DI8-ALA-AEM, Core protease I7
著者Gao, Y, Xie, X, Lan, W, Wang, W, Yang, H.
登録日2024-08-25
公開日2025-03-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
9JAM
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BU of 9jam by Molmil
Cryo-EM structure of MPXV core protease in complex with compound A3
分子名称: A1ECK-DI8-ALA-AEM, Core protease I7
著者Gao, Y, Xie, X, Lan, W, Wang, W, Yang, H.
登録日2024-08-25
公開日2025-03-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
9JAQ
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BU of 9jaq by Molmil
Cryo-EM structure of MPXV core protease in the apo-form
分子名称: Core protease I7
著者Lan, W, You, T, Li, D, Dong, X, Wang, H, Xu, J, Wang, W, Gao, Y, Yang, H.
登録日2024-08-25
公開日2025-03-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
9KQV
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BU of 9kqv by Molmil
Cryo-EM structure of MPXV core protease in complex with aloxistatin(E64d)
分子名称: Core protease I7, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
著者Lan, W, You, T, Li, D, Dong, X, Wang, H, Xu, J, Wang, W, Gao, Y, Yang, H.
登録日2024-11-27
公開日2025-03-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
9KR6
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BU of 9kr6 by Molmil
Cryo-EM structure of MPXV core protease in complex with the substrate derivative I-G18
分子名称: Core protease I7, Core protein VP8
著者Lan, W, You, T, Li, D, Dong, X, Wang, H, Xu, J, Wang, W, Gao, Y, Yang, H.
登録日2024-11-27
公開日2025-03-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Substrate recognition and cleavage mechanism of the monkeypox virus core protease.
Nature, 2025
6M03
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BU of 6m03 by Molmil
The crystal structure of COVID-19 main protease in apo form
分子名称: 3C-like proteinase
著者Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z.
登録日2020-02-19
公開日2020-03-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
3DIW
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BU of 3diw by Molmil
c-terminal beta-catenin bound TIP-1 structure
分子名称: Tax1-binding protein 3, decameric peptide form Catenin beta-1
著者Shen, Y.
登録日2008-06-21
公開日2008-10-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of beta-Catenin Recognition by Tax-interacting Protein-1
J.Mol.Biol., 384, 2008
3DJ1
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BU of 3dj1 by Molmil
crystal structure of TIP-1 wild type
分子名称: SULFATE ION, Tax1-binding protein 3
著者Shen, Y.
登録日2008-06-21
公開日2008-10-21
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of beta-Catenin Recognition by Tax-interacting Protein-1.
J.Mol.Biol., 384, 2008
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
分子名称: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024

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件を2025-07-09に公開中

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