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7XTW
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The structure of IsPETase in complex with MHET
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, GLYCEROL, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTR
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The apo structure of the engineered TfCut
分子名称: GLYCEROL, LITHIUM ION, SULFATE ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
7XTT
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The structure of engineered TfCut S130A in complex with MHET
分子名称: 1,2-ETHANEDIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, SODIUM ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
3V6G
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BU of 3v6g by Molmil
Crystal Structure of Transcriptional Regulator
分子名称: PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY)
著者Do, S.V, Bolla, J.R, Chen, X, Yu, E.W.
登録日2011-12-19
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis.
Nucleic Acids Res., 40, 2012
7XS2
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BU of 7xs2 by Molmil
Monomer structure of HtrA from Helicobacter pylori
分子名称: Periplasmic serine endoprotease DegP-like
著者Cui, L, Liu, W.
登録日2022-05-12
公開日2023-05-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements.
Int.J.Biol.Macromol., 243, 2023
7XS0
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Trimer structure of HtrA from Helicobacter pylori bound with a tripeptide
分子名称: Periplasmic serine endoprotease DegP-like, UNK-UNK-UNK
著者Cui, L, Liu, W.
登録日2022-05-12
公開日2023-05-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements.
Int.J.Biol.Macromol., 243, 2023
3V78
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BU of 3v78 by Molmil
Crystal Structure of Transcriptional Regulator
分子名称: ETHIDIUM, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY)
著者Do, S.V, Bolla, J.R, Chen, X, Yu, E.W.
登録日2011-12-20
公開日2012-12-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis.
Nucleic Acids Res., 40, 2012
2LUQ
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BU of 2luq by Molmil
Solution structure of double-stranded RNA binding domain of S.cerevisiae RNase III (rnt1p)
分子名称: Ribonuclease 3
著者Wang, Z, Feigon, J.
登録日2012-06-19
公開日2012-12-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Intrinsic Dynamics of an Extended Hydrophobic Core in the S. cerevisiae RNase III dsRBD Contributes to Recognition of Specific RNA Binding Sites.
J.Mol.Biol., 425, 2013
7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
分子名称: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
著者Lu, M, Tang, Y.
登録日2021-03-08
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
7YQG
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Functional and Structural Characterization of Norovirus GII.6 in Recognizing Histo-blood Group Antigens
分子名称: GLYCEROL, VP1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose
著者Duan, Z.J, Cong, X.
登録日2022-08-06
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Functional and structural characterization of Norovirus GII.6 in recognizing histo-blood group antigens.
Virol Sin, 38, 2023
7ZK5
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ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC
分子名称: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ...
著者Parey, K, Januliene, D, Gewering, T, Moeller, A.
登録日2022-04-12
公開日2023-04-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
7ZK6
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ABCB1 L335C mutant (mABCB1) in the outward facing state bound to 2 molecules of AAC
分子名称: (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Parey, K, Januliene, D, Gewering, T, Moeller, A.
登録日2022-04-12
公開日2023-04-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
7ZK4
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The ABCB1 L335C mutant (mABCB1) in the outward facing state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, CHOLESTEROL HEMISUCCINATE, ...
著者Parey, K, Januliene, D, Gewering, T, Moeller, A.
登録日2022-04-12
公開日2023-04-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
7ZKB
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ABCB1 V978C mutant (mABCB1) in the inward facing state
分子名称: (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ATP-dependent translocase ABCB1
著者Parey, K, Januliene, D, Gewering, T, Moeller, A.
登録日2022-04-12
公開日2023-04-26
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
7ZK8
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ABCB1 L971C mutant (mABCB1) in the outward facing state bound to AAC
分子名称: (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent translocase ABCB1, ...
著者Parey, K, Januliene, D, Gewering, T, Moeller, A.
登録日2022-04-12
公開日2023-04-26
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Tracing the substrate translocation mechanism in P-glycoprotein.
Elife, 12, 2024
7CL0
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BU of 7cl0 by Molmil
Crystal structure of human SIRT6
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
7CL1
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Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
7YQB
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BU of 7yqb by Molmil
Functional and Structural Characterization of Norovirus GII.6 in Recognizing Histo-blood Group Antigens
分子名称: VP1
著者Cong, X, Duan, Z.J.
登録日2022-08-05
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Functional and structural characterization of Norovirus GII.6 in recognizing histo-blood group antigens.
Virol Sin, 38, 2023
7WX2
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CBP-BrD complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
7WWZ
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BRD4-BD1 complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
4IGP
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BU of 4igp by Molmil
Histone H3 Lysine 4 Demethylating Rice JMJ703 apo enzyme
分子名称: FE (III) ION, Os05g0196500 protein
著者Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
登録日2012-12-17
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
4IGQ
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Histone H3 Lysine 4 Demethylating Rice JMJ703 in complex with methylated H3K4 substrate
分子名称: FE (III) ION, N-OXALYLGLYCINE, Os05g0196500 protein, ...
著者Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
登録日2012-12-17
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
5XLM
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BU of 5xlm by Molmil
Monomer form of M.tuberculosis PknI sensor domain
分子名称: Serine/threonine-protein kinase PknI
著者Rao, Z, Yan, Q.
登録日2017-05-10
公開日2018-05-16
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain.
Structure, 25, 2017
1WWN
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BU of 1wwn by Molmil
NMR Solution Structure of BmK-betaIT, an Excitatory Scorpion Toxin from Buthus martensi Karsch
分子名称: Excitatory insect selective toxin 1
著者Wu, H, Tong, X, Chen, X, Zhang, Q, Zheng, X, Zhang, N, Wu, G.
登録日2005-01-10
公開日2006-01-17
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献NMR solution structure of BmK-betaIT, an excitatory scorpion beta-toxin without a 'hot spot' at the relevant position
Biochem.Biophys.Res.Commun., 349, 2006
2GA2
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h-MetAP2 complexed with A193400
分子名称: 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
著者Park, C.
登録日2006-03-07
公開日2007-03-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties.
Bioorg.Med.Chem.Lett., 16, 2006

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