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PDB: 1676 件

3IT9
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Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in apo state
分子名称: D-alanyl-D-alanine carboxypeptidase dacC, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
登録日2009-08-27
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
2D27
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Structure of the N-terminal domain of XpsE (crystal form I4122)
分子名称: type II secretion ATPase XpsE
著者Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L.
登録日2005-09-03
公開日2005-09-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System
J.Biol.Chem., 280, 2005
8JIG
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A Novel UHRF1-Targeted Compound
分子名称: E3 ubiquitin-protein ligase UHRF1, N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide
著者Chen, Y, Jiang, L.
登録日2023-05-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Novel UHRF1-Targeted Compound
To Be Published
6KI3
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The crystal structure of AsfvAP:dF commplex
分子名称: DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ...
著者Chen, Y, Gan, J.
登録日2019-07-17
公開日2020-05-27
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献A unique DNA-binding mode of African swine fever virus AP endonuclease.
Cell Discov, 6, 2020
3G2Z
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CTX-M-9 class A beta-lactamase complexed with compound 2 (GZ2)
分子名称: 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G35
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CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)
分子名称: 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G31
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CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1)
分子名称: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G30
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CTX-M-9 class A beta-lactamase complexed with compound 3 (G30)
分子名称: (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid, Beta-lactamase CTX-M-9a
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G32
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CTX-M-9 class A beta-lactamase complexed with compound 6 (3G3)
分子名称: 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Y
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CTX-M-9 class A beta-lactamase complexed with compound 1 (GF4)
分子名称: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G34
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CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE)
分子名称: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
著者Chen, Y, Shoichet, B.K.
登録日2009-02-01
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
7E34
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Crystal structure of SUN1-Speedy A-CDK2
分子名称: Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ...
著者Chen, Y, Huang, C, Wu, J, Lei, M.
登録日2021-02-08
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The SUN1-SPDYA interaction plays an essential role in meiosis prophase I.
Nat Commun, 12, 2021
3FKV
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BU of 3fkv by Molmil
AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb)
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
著者Chen, Y, McReynolds, A, Shoichet, B.K.
登録日2008-12-17
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
7YK6
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Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex
分子名称: 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine, 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, ...
著者Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
登録日2022-07-21
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
7YJ4
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Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi 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-2, ...
著者Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
登録日2022-07-19
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
3FN3
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Dimeric Structure of PD-L1
分子名称: Programmed cell death 1 ligand 1
著者Chen, Y, Gao, F, Liu, P, Chu, F, Qi, J, Gao, G.F.
登録日2008-12-23
公開日2009-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A dimeric structure of PD-L1: functional units or evolutionary relics?
Protein Cell, 1, 2010
7YK7
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Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4 (RXFP4)-Gi 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-2, ...
著者Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Xu, H.E, Yang, D.H, Liu, H, Wang, M.W.
登録日2022-07-21
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
3ITA
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BU of 3ita by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase dacC, ...
著者Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
登録日2009-08-27
公開日2009-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3FKW
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BU of 3fkw by Molmil
AmpC K67R mutant apo structure
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
著者Chen, Y, McReynolds, A, Shoichet, B.K.
登録日2008-12-17
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
3ITB
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BU of 3itb by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment
分子名称: D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ...
著者Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
登録日2009-08-27
公開日2009-10-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
2D28
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Structure of the N-terminal domain of XpsE (crystal form P43212)
分子名称: CACODYLATE ION, type II secretion ATPase XpsE
著者Chen, Y, Shiue, S.-J, Huang, C.-W, Chang, J.-L, Chien, Y.-L, Hu, N.-T, Chan, N.-L.
登録日2005-09-03
公開日2005-09-20
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of the XpsE N-Terminal Domain, an Essential Component of the Xanthomonas campestris Type II Secretion System
J.Biol.Chem., 280, 2005
7X4T
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LpCdnE UMPNPP Mg complex
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, Cyclic dipyrimidine nucleotide synthase, GLYCEROL, ...
著者Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H.
登録日2022-03-03
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
7X4F
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Native CD-NTase LpCdnE
分子名称: Cyclic dipyrimidine nucleotide synthase, SULFATE ION
著者Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H.
登録日2022-03-02
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
6K28
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Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia in complex with TZE
分子名称: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION
著者Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
登録日2019-05-13
公開日2019-07-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 518, 2019
6JYY
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Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia
分子名称: Hydroxyethylthiazole kinase
著者Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
登録日2019-04-29
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 518, 2019

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