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PDB: 1442 件
2P4Q
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BU of 2p4q by Molmil
Crystal Structure Analysis of Gnd1 in Saccharomyces cerevisiae
分子名称: 6-phosphogluconate dehydrogenase, decarboxylating 1, CITRATE ANION
著者He, W, Wang, Y, Liu, W, Zhou, C.Z.
登録日2007-03-12
公開日2007-07-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of Saccharomyces cerevisiae 6-phosphogluconate dehydrogenase Gnd1
Bmc Struct.Biol., 7, 2007
3WHL
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BU of 3whl by Molmil
Crystal structure of Nas2 N-terminal domain complexed with PAN-Rpt5C chimera
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Probable 26S proteasome regulatory subunit p27, Proteasome-activating nucleotidase, ...
著者Satoh, T, Saeki, Y, Hiromoto, T, Wang, Y.-H, Uekusa, Y, Yagi, H, Yoshihara, H, Yagi-Utsumi, M, Mizushima, T, Tanaka, K, Kato, K.
登録日2013-08-26
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural basis for proteasome formation controlled by an assembly chaperone nas2.
Structure, 22, 2014
8HYR
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BU of 8hyr by Molmil
Crystal structure of human KARS apo
分子名称: Lysine--tRNA ligase
著者Zhang, X, Wang, Y.
登録日2023-01-07
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of human KARS apo
To Be Published
8G05
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BU of 8g05 by Molmil
Cryo-EM structure of an orphan GPCR-Gi protein signaling complex
分子名称: 6-(octylamino)pyrimidine-2,4(3H,5H)-dione, CHOLESTEROL, G-protein coupled receptor 84, ...
著者Zhang, X, Wang, Y.J, Li, X, Liu, G.B, Gong, W.M, Zhang, C.
登録日2023-01-31
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Pro-phagocytic function and structural basis of GPR84 signaling.
Nat Commun, 14, 2023
7CI1
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BU of 7ci1 by Molmil
Crystal structure of AcrVA2
分子名称: 1,2-ETHANEDIOL, AcrVA2, SPERMIDINE
著者Chen, P, Cheng, Z, Wang, Y.
登録日2020-07-07
公開日2020-10-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Study on Anti-CRISPR Protein AcrVA2
Prog.Biochem.Biophys., 2021
8IU7
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BU of 8iu7 by Molmil
Structure of Staphylococcus aureus NrnA (Pde2) in complex with Mg2+
分子名称: Bifunctional oligoribonuclease and PAP phosphatase NrnA, MAGNESIUM ION
著者Cheng, K, Wang, Y.
登録日2023-03-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure of Staphylococcus aureus NrnA in complex with Mg2+.
To Be Published
8JIN
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BU of 8jin by Molmil
The local refined map of XBB spike protein (S) in complex with bispecific antibody G7-Fc
分子名称: 7F3 Fv, GW01 Fv, Spike glycoprotein
著者Ma, Y, Mao, Q, Wang, Y, Zhang, Z.
登録日2023-05-27
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Structure of XBB spike protein (S) di-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution.
To Be Published
7YDX
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BU of 7ydx by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound RI-962
分子名称: 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S.
登録日2022-07-04
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.642 Å)
主引用文献Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
5XI7
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BU of 5xi7 by Molmil
Crystal structure of T2R-TTL bound with PO-7
分子名称: (6Z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Chu, Y, Wang, Y, Yang, J, Li, W.
登録日2017-04-26
公開日2017-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Synthesis, biological evaluation and X-ray structure of anti-microtubule agents
To Be Published
7DHJ
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BU of 7dhj by Molmil
The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase
著者Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X.
登録日2020-11-15
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DQ9
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BU of 7dq9 by Molmil
Crystal structure of a type-A feruloyl esterase from gut Alistipes shahii
分子名称: Predicted hydrolases or acyltransferases (Alpha/beta hydrolase superfamily)
著者Wei, X, Gu, T.Y, Xin, F.J, Wang, Y.L.
登録日2020-12-22
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献The alpha-Helical Cap Domain of a Novel Esterase from Gut Alistipes shahii Shaping the Substrate-Binding Pocket.
J.Agric.Food Chem., 69, 2021
5XHC
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BU of 5xhc by Molmil
Crystal structure of T2R-TTL-PO10 complex
分子名称: (3Z,6Z)-3-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Chu, Y, Wang, Y, Yang, J, Li, W.
登録日2017-04-20
公開日2017-10-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Synthesis, biological evaluation and X-ray structure of anti-microtubule agents
To Be Published
5XI5
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BU of 5xi5 by Molmil
Crystal structure of T2R-TTL-PO5 complex
分子名称: (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Chu, Y, Wang, Y, Yang, J, Li, W.
登録日2017-04-26
公開日2017-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Synthesis, biological evaluation and X-ray structure of anti-microtubule agents
To Be Published
4HEG
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BU of 4heg by Molmil
Crystal Structure of HIV-1 protease mutants R8Q complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease
著者Zhang, H, Wang, Y.-F, Weber, I.T.
登録日2012-10-03
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
7CZ5
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BU of 7cz5 by Molmil
Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex
分子名称: CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
登録日2020-09-07
公開日2020-11-18
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for activation of the growth hormone-releasing hormone receptor.
Nat Commun, 11, 2020
5GZS
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BU of 5gzs by Molmil
Structure of VC protein
分子名称: ARGININE, GGDEF family protein
著者Xu, M, Wang, Y.Z, Yang, X.A, Xie, W, Jiang, T.
登録日2016-10-01
公開日2017-08-16
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural studies of the periplasmic portion of the diguanylate cyclase CdgH from Vibrio cholerae.
Sci Rep, 7, 2017
4HDB
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BU of 4hdb by Molmil
Crystal Structure of HIV-1 protease mutants D30N complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ...
著者Zhang, H, Wang, Y.-F, Shen, C.H, Agniswamy, J, Weber, I.T.
登録日2012-10-02
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
3WSQ
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BU of 3wsq by Molmil
Structure of HER2 with an Fab
分子名称: Antibody Heavy Chain, Antibody Light Chain, Receptor tyrosine-protein kinase erbB-2
著者Fu, W.Y, Wang, Y.X, Zhou, L.J.
登録日2014-03-20
公開日2015-03-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Insights into HER2 signaling from step-by-step optimization of anti-HER2 antibodies.
MAbs, 6, 2014
4HDF
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BU of 4hdf by Molmil
Crystal Structure of HIV-1 protease mutants V82A complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease
著者Zhang, H, Wang, Y.-F, Weber, I.T.
登録日2012-10-02
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
4IUF
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BU of 4iuf by Molmil
Crystal Structure of Human TDP-43 RRM1 Domain in Complex with a Single-stranded DNA
分子名称: 5'-D(*GP*TP*TP*GP*(XUA)P*GP*CP*GP*T)-3', TAR DNA-binding protein 43
著者Kuo, P.H, Doudeva, L.G, Wang, Y.T, Yang, W.Z, Yuan, H.S.
登録日2013-01-21
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.752 Å)
主引用文献The crystal structure of TDP-43 RRM1-DNA complex reveals the specific recognition for UG- and TG-rich nucleic acids.
Nucleic Acids Res., 42, 2014
7C7P
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BU of 7c7p by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
著者Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
登録日2020-05-26
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
6JDJ
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BU of 6jdj by Molmil
Crystal structure of AcrIIC2 dimer in complex with partial Nme1Cas9
分子名称: AcrIIC2, CRISPR-associated endonuclease Cas9
著者Cheng, Z, Huang, X, Sun, W, Wang, Y.
登録日2019-02-01
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
7COM
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BU of 7com by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J.
登録日2020-08-04
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7C8U
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BU of 7c8u by Molmil
The crystal structure of COVID-19 main protease in complex with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The crystal structure of COVID-19 main protease in complex with GC376
To Be Published
8JFT
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BU of 8jft by Molmil
Cryo-EM structure of SaCas9-AcrIIA15 CTD-sgRNA complex
分子名称: AcrIIA15, CRISPR-associated endonuclease Cas9, sgRNA of SaCas9
著者Deng, X, Wang, Y.
登録日2023-05-18
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Cryo-EM structure of SaCas9-AcrIIA15 CTD-sgRNA complex
To Be Published

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