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2MN1
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BU of 2mn1 by Molmil
Solution Structure of kalata B1[W23WW]
Descriptor: kalata B1[W23WW]
Authors:Henriques, S.T, Huang, Y.H, Chaousis, S, Wang, C.K, Craik, D.J.
Deposit date:2014-03-26
Release date:2015-05-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2021-07-12
Release date:2021-11-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ...
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-04
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Allantoinase, DI(HYDROXYETHYL)ETHER, ZINC ION
Authors:Lin, E.S, Huang, H.Y, Yang, P.C, Liu, H.W, Huang, C.Y.
Deposit date:2022-11-10
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite: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
Descriptor: Predicted outer membrane protein and surface antigen
Authors:Wang, Y.
Deposit date:2013-10-14
Release date:2014-10-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: MTAbl13 of grafted MCoTI-II
Authors:Huang, Y, Wang, C, Craik, D.
Deposit date:2014-08-15
Release date:2015-10-14
Last modified:2024-10-16
Method:SOLUTION NMR
Cite: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
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Single-stranded DNA-binding protein
Authors:Huang, Y.H, Huang, C.Y.
Deposit date:2017-11-22
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.67 Å)
Cite: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)
Descriptor: DNA helicase, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Pei, H.-P, Hilal, T, Huang, Y.-H, Said, N, Loll, B, Wahl, M.C.
Deposit date:2020-06-10
Release date:2020-10-14
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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)
Descriptor: DNA helicase, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Pei, H.-P, Hilal, T, Huang, Y.-H, Said, N, Loll, B, Wahl, M.C.
Deposit date:2020-06-17
Release date:2020-10-14
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: 30S ribosomal protein S10, Antitermination protein N, DNA (I), ...
Authors:Loll, B, Krupp, F, Said, N, Huang, Y, Buerger, J, Mielke, T, Spahn, C.M.T, Wahl, M.C.
Deposit date:2018-06-04
Release date:2019-02-13
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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
Descriptor: PRIMOSOMAL REPLICATION PROTEIN N
Authors:Lo, Y.H, Huang, Y.H, Hsiao, C.D, Huang, C.Y.
Deposit date:2012-04-06
Release date:2012-04-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.095 Å)
Cite: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
Descriptor: 30S ribosomal protein S10, Antitermination protein N, DNA-directed RNA polymerase subunit alpha, ...
Authors:Said, N, Krupp, F.
Deposit date:2016-12-29
Release date:2017-05-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite: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)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite: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%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2024-11-06
Method:SOLUTION NMR
Cite: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%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2024-11-06
Method:SOLUTION NMR
Cite: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
Descriptor: Tachyplesin-3
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-26
Release date:2019-09-11
Last modified:2024-10-23
Method:SOLUTION NMR
Cite: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
Descriptor: Tachyplesin-3
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-25
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Tachyplesin-2
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-26
Release date:2019-09-11
Last modified:2024-11-06
Method:SOLUTION NMR
Cite: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
Descriptor: Tachyplesin II
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-25
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Tachyplesin-1
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-26
Release date:2019-09-11
Last modified:2024-10-30
Method:SOLUTION NMR
Cite: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
Descriptor: 30S ribosomal protein S10, Antitermination protein N, N utilization substance protein B homolog, ...
Authors:Said, N, Santos, K, Weber, G, Wahl, M.C.
Deposit date:2016-07-29
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural basis for lambda N-dependent processive transcription antitermination.
Nat Microbiol, 2, 2017

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数据于2024-11-06公开中

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