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2MN1
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BU of 2mn1 by Molmil
Solution Structure of kalata B1[W23WW]
分子名称: kalata B1[W23WW]
著者Henriques, S.T, Huang, Y.H, Chaousis, S, Wang, C.K, Craik, D.J.
登録日2014-03-26
公開日2015-05-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Anticancer and toxic properties of cyclotides are dependent on phosphatidylethanolamine phospholipid targeting.
Chembiochem, 15, 2014
7FBP
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BU of 7fbp by Molmil
FXIIa-cMCoFx1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1
著者Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K.
登録日2021-07-12
公開日2021-11-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021
6AWH
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BU of 6awh by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ATP and pantothenate analog Deoxy-MeO-N5Pan
分子名称: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AVP
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BU of 6avp by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Phosphate-MeO-N5Pan
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-04
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWG
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BU of 6awg by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan
分子名称: (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWJ
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BU of 6awj by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-MeO-N5Pan with pantothenate present in reaction
分子名称: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWI
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BU of 6awi by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N5Pan
分子名称: (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
著者Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
登録日2017-09-05
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
8HFD
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BU of 8hfd by Molmil
Crystal structure of allantoinase from E. coli BL21
分子名称: Allantoinase, DI(HYDROXYETHYL)ETHER, ZINC ION
著者Lin, E.S, Huang, H.Y, Yang, P.C, Liu, H.W, Huang, C.Y.
登録日2022-11-10
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal Structure of Allantoinase from Escherichia coli BL21: A Molecular Insight into a Role of the Active Site Loops in Catalysis.
Molecules, 28, 2023
4N74
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BU of 4n74 by Molmil
Crystal Structure of Outer Membrane Protein TamA beta-barrel Domain in E.coli
分子名称: Predicted outer membrane protein and surface antigen
著者Wang, Y.
登録日2013-10-14
公開日2014-10-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of BamA-mediate Outer Membrane Protein Biogenesis
To be Published
2MT8
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BU of 2mt8 by Molmil
Solution structure MTAbl13, a grafted MCoTI-II
分子名称: MTAbl13 of grafted MCoTI-II
著者Huang, Y, Wang, C, Craik, D.
登録日2014-08-15
公開日2015-10-14
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Design of substrate-based BCR-ABL kinase inhibitors using the cyclotide scaffold.
Sci Rep, 5, 2015
5YUN
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BU of 5yun by Molmil
Crystal structure of SSB complexed with myc
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Single-stranded DNA-binding protein
著者Huang, Y.H, Huang, C.Y.
登録日2017-11-22
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of SSB complexed with inhibitor myricetin.
Biochem. Biophys. Res. Commun., 504, 2018
6ZCA
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BU of 6zca by Molmil
Structure of the B. subtilis RNA POLYMERASE in complex with HelD (monomer)
分子名称: DNA helicase, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Pei, H.-P, Hilal, T, Huang, Y.-H, Said, N, Loll, B, Wahl, M.C.
登録日2020-06-10
公開日2020-10-14
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The delta subunit and NTPase HelD institute a two-pronged mechanism for RNA polymerase recycling.
Nat Commun, 11, 2020
6ZFB
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BU of 6zfb by Molmil
Structure of the B. subtilis RNA POLYMERASE in complex with HelD (dimer)
分子名称: DNA helicase, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Pei, H.-P, Hilal, T, Huang, Y.-H, Said, N, Loll, B, Wahl, M.C.
登録日2020-06-17
公開日2020-10-14
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The delta subunit and NTPase HelD institute a two-pronged mechanism for RNA polymerase recycling.
Nat Commun, 11, 2020
6GOV
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BU of 6gov by Molmil
Structure of THE RNA POLYMERASE LAMBDA-BASED ANTITERMINATION COMPLEX
分子名称: 30S ribosomal protein S10, Antitermination protein N, DNA (I), ...
著者Loll, B, Krupp, F, Said, N, Huang, Y, Buerger, J, Mielke, T, Spahn, C.M.T, Wahl, M.C.
登録日2018-06-04
公開日2019-02-13
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural Basis for the Action of an All-Purpose Transcription Anti-termination Factor.
Mol.Cell, 74, 2019
4APV
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BU of 4apv by Molmil
The Klebsiella pneumoniae primosomal PriB protein: identification, crystal structure, and ssDNA binding mode
分子名称: PRIMOSOMAL REPLICATION PROTEIN N
著者Lo, Y.H, Huang, Y.H, Hsiao, C.D, Huang, C.Y.
登録日2012-04-06
公開日2012-04-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Crystal Structure and DNA-Binding Mode of Klebsiella Pneumoniae Primosomal Prib Protein.
Genes Cells, 17, 2012
5MS0
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BU of 5ms0 by Molmil
pseudo-atomic model of the RNA polymerase lambda-based antitermination complex solved by cryo-EM
分子名称: 30S ribosomal protein S10, Antitermination protein N, DNA-directed RNA polymerase subunit alpha, ...
著者Said, N, Krupp, F.
登録日2016-12-29
公開日2017-05-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (9.8 Å)
主引用文献Structural basis for lambda N-dependent processive transcription antitermination.
Nat Microbiol, 2, 2017
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-16
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-17
公開日2022-09-14
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-18
公開日2022-09-14
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
6PIP
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BU of 6pip by Molmil
NMR Solution structure of cyclic tachyplesin III
分子名称: Tachyplesin-3
著者Harvey, P.J, Troeira Henriques, S, Vernen, F.
登録日2019-06-26
公開日2019-09-11
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PI3
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BU of 6pi3 by Molmil
NMR Solution structure of native tachyplesin III peptide
分子名称: Tachyplesin-3
著者Harvey, P.J, Troeira Henriques, S, Vernen, F.
登録日2019-06-25
公開日2019-09-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PIO
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BU of 6pio by Molmil
NMR Solution structure of cyclic tachyplesin II
分子名称: Tachyplesin-2
著者Harvey, P.J, Troeira Henriques, S, Vernen, F.
登録日2019-06-26
公開日2019-09-11
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PI2
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BU of 6pi2 by Molmil
NMR Solution structure of native tachyplesin II peptide
分子名称: Tachyplesin II
著者Harvey, P.J, Troeira Henriques, S, Vernen, F.
登録日2019-06-25
公開日2019-09-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PIN
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BU of 6pin by Molmil
NMR Solution structure of cyclic tachyplesin I
分子名称: Tachyplesin-1
著者Harvey, P.J, Troeira Henriques, S, Vernen, F.
登録日2019-06-26
公開日2019-09-11
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
5LM7
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BU of 5lm7 by Molmil
Crystal structure of the lambda N-Nus factor complex
分子名称: 30S ribosomal protein S10, Antitermination protein N, N utilization substance protein B homolog, ...
著者Said, N, Santos, K, Weber, G, Wahl, M.C.
登録日2016-07-29
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structural basis for lambda N-dependent processive transcription antitermination.
Nat Microbiol, 2, 2017

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