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8XKF
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BU of 8xkf by Molmil
Crystal structure of Helicobacter pylori IspDF with substrate CTP
分子名称: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
著者Chen, X, Wu, D.
登録日2023-12-23
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
8XKG
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BU of 8xkg by Molmil
Crystal structure of Acinetobacter baumannii IspD
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, GLYCEROL
著者Chen, X, Wu, D.
登録日2023-12-23
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
8XHU
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BU of 8xhu by Molmil
Crystal structure of Helicobacter pylori IspDF
分子名称: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
著者Chen, X, Wu, D.
登録日2023-12-18
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
8CZI
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BU of 8czi by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with extended HR2
分子名称: Scaffolded Spike protein S2' HR1, Spike protein S2' HR2
著者Yang, K, Brunger, A.T.
登録日2022-05-24
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.22 Å)
主引用文献Nanomolar inhibition of SARS-CoV-2 infection by an unmodified peptide targeting the prehairpin intermediate of the spike protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D9C
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BU of 8d9c by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 10
分子名称: 2,3,4,5,6-pentafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D98
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BU of 8d98 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 5
分子名称: 3,5-difluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D99
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BU of 8d99 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 7
分子名称: 2,3,6-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D9B
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BU of 8d9b by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 9
分子名称: 2,3,5,6-tetrafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D9A
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BU of 8d9a by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 8
分子名称: 2,3,5-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-06-09
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8ZOJ
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BU of 8zoj by Molmil
The crystal structure of YegTK267A from the Nucleoside: H+ Symporter Family
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative nucleoside transporter YegT
著者Xiao, Q.J, Deng, D.
登録日2024-05-28
公開日2025-04-02
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.913 Å)
主引用文献Mechanistic insights into proton-coupled substrate translocation of nucleoside proton symporters.
J.Biol.Chem., 301, 2025
7WX2
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BU of 7wx2 by Molmil
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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BU of 7wwz by Molmil
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
2M77
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BU of 2m77 by Molmil
[Asp2]RTD-1
分子名称: [Asp2]RTD-1
著者Conibear, A.C, Bochen, A, Rosengren, K, Kessler, H, Craik, D.J.
登録日2013-04-18
公開日2014-02-05
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献The Cyclic Cystine Ladder of Theta-Defensins as a Stable, Bifunctional Scaffold: A Proof-of-Concept Study Using the Integrin-Binding RGD Motif
Chembiochem, 15, 2014
2ICT
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BU of 2ict by Molmil
Crystal structure of the bacterial antitoxin HigA from Escherichia coli at pH 8.5. Northeast Structural Genomics TARGET ER390.
分子名称: antitoxin higa
著者Arbing, M.A, Abashidze, M, Hurley, J.M, Zhao, L, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Inouye, M, Woychik, N.A, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-13
公開日2006-09-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
2M78
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BU of 2m78 by Molmil
[Asp11]RTD-1
分子名称: [Asp11]RTD-1
著者Conibear, A.C, Bochen, A, Rosengren, K, Kessler, H, Craik, D.J.
登録日2013-04-19
公開日2014-02-05
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献The Cyclic Cystine Ladder of Theta-Defensins as a Stable, Bifunctional Scaffold: A Proof-of-Concept Study Using the Integrin-Binding RGD Motif
Chembiochem, 15, 2014
2M79
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BU of 2m79 by Molmil
[Asp2,11]RTD-1
分子名称: [Asp2,11]RTD-1
著者Conibear, A.C, Bochen, A, Rosengren, K, Kessler, H, Craik, D.J.
登録日2013-04-19
公開日2014-02-05
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献The Cyclic Cystine Ladder of Theta-Defensins as a Stable, Bifunctional Scaffold: A Proof-of-Concept Study Using the Integrin-Binding RGD Motif
Chembiochem, 15, 2014
2KQR
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BU of 2kqr by Molmil
Solution structure of the N-terminal domain (residues 1-111) of Brugia malayi asparaginyl-tRNA synthetase
分子名称: Asparaginyl-tRNA synthetase, cytoplasmic
著者Volkman, B.F, Peterson, F.C, Kron, M.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2009-11-16
公開日2009-12-15
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献A Hybrid Structural Model of the Complete Brugia malayi Cytoplasmic Asparaginyl-tRNA Synthetase.
J.Mol.Biol., 405, 2011
2LCJ
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BU of 2lcj by Molmil
Solution NMR structure of Pab PolII Intein
分子名称: Pab polC intein
著者Jiajing, L, Mills, K.V, Albracht, C.D.
登録日2011-04-29
公開日2011-09-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Mutational Studies of a Hyperthermophilic Intein from DNA Polymerase II of Pyrococcus abyssi.
J.Biol.Chem., 286, 2011
1WUE
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BU of 1wue by Molmil
Crystal structure of protein GI:29375081, unknown member of enolase superfamily from enterococcus faecalis V583
分子名称: mandelate racemase/muconate lactonizing enzyme family protein
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-12-05
公開日2004-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family
Proc.Natl.Acad.Sci.USA, 111, 2014
1WUF
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BU of 1wuf by Molmil
Crystal structure of protein GI:16801725, member of Enolase superfamily from Listeria innocua Clip11262
分子名称: MAGNESIUM ION, hypothetical protein lin2664
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-12-07
公開日2004-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family
Proc.Natl.Acad.Sci.USA, 111, 2014
7EJU
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BU of 7eju by Molmil
Junin virus(JUNV) RNA polymerase L complexed with Z protein
分子名称: MAGNESIUM ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
著者Chen, Y.
登録日2021-04-02
公開日2021-07-07
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for recognition and regulation of arenavirus polymerase L by Z protein.
Nat Commun, 12, 2021
7E40
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BU of 7e40 by Molmil
Mechanism of Phosphate Sensing and Signaling Revealed by Rice SPX1-PHR2 Complex Structure
分子名称: INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 1,Endolysin
著者Zhou, J, Hu, Q, Yao, D, Xing, W.
登録日2021-02-09
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanism of phosphate sensing and signaling revealed by rice SPX1-PHR2 complex structure.
Nat Commun, 12, 2021
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2025-04-09
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
7CBT
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BU of 7cbt by Molmil
The crystal structure of SARS-CoV-2 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Shi, Y, Peng, G.
登録日2020-06-13
公開日2020-09-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献The preclinical inhibitor GS441524 in combination with GC376 efficaciously inhibited the proliferation of SARS-CoV-2 in the mouse respiratory tract.
Emerg Microbes Infect, 10, 2021

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件を2025-07-09に公開中

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