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8DYH
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BU of 8dyh by Molmil
IL17A homodimer bound to Compound 6
分子名称: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYI
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BU of 8dyi by Molmil
IL17A homodimer bound to Compound 5
分子名称: (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYF
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IL17A homodimer bound to Compound 10
分子名称: (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
3ZQC
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BU of 3zqc by Molmil
Structure of the Trichomonas vaginalis Myb3 DNA-binding domain bound to a promoter sequence reveals a unique C-terminal beta-hairpin conformation
分子名称: MRE-1, MYB3
著者Wei, S.-Y, Lou, Y.-C, Tsai, J.-Y, Hsu, H.-M, Tai, J.-H, Hsiao, C.-D, Chen, C.
登録日2011-06-09
公開日2012-04-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the Trichomonas Vaginalis Myb3 DNA-Binding Domain Bound to a Promoter Sequence Reveals a Unique C-Terminal Beta-Hairpin Conformation.
Nucleic Acids Res., 40, 2012
2IF2
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BU of 2if2 by Molmil
Crystal Structure of the Putative Dephospho-CoA Kinase from Aquifex aeolicus, Northeast Structural Genomics Target QR72.
分子名称: 1,2-ETHANEDIOL, Dephospho-CoA kinase, SULFATE ION
著者Forouhar, F, Hussain, M, Seetharaman, J, Hussain, A, Wu, M, Fang, Y, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Rost, B, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-19
公開日2006-10-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献

6FL5
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BU of 6fl5 by Molmil
Structure of human SHMT1-H135N-R137A-E168N mutant at 3.6 Ang. resolution
分子名称: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, ...
著者Giardina, G, Cutruzzola, F, Lucchi, R.
登録日2018-01-25
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The catalytic activity of serine hydroxymethyltransferase is essential for de novo nuclear dTMP synthesis in lung cancer cells.
FEBS J., 285, 2018
2HFD
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BU of 2hfd by Molmil
NMR structure of protein Hydrogenase-1 operon protein hyaE from Escherichia coli: Northeast Structural Genomics Consortium Target ER415
分子名称: Hydrogenase-1 operon protein hyaE
著者Singarapu, K.K, Liu, G, Eletsky, A, Parish, D, Atreya, H.S, Xu, D, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-23
公開日2006-08-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif.
J.STRUCT.FUNCT.GENOM., 9, 2008
7RNW
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BU of 7rnw by Molmil
SARS-CoV-2 Main Protease in complex with a cyclic peptide inhibitor
分子名称: 3C-like proteinase, ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-ARG-GLU-SEC
著者Frkic, R.L, Jackson, C.J.
登録日2021-07-30
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Antiviral cyclic peptides targeting the main protease of SARS-CoV-2.
Chem Sci, 13, 2022
2JXM
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BU of 2jxm by Molmil
Ensemble of twenty structures of the Prochlorothrix hollandica plastocyanin- cytochrome f complex
分子名称: COPPER (II) ION, Cytochrome f, HEME C, ...
著者Hulsker, R, Baranova, M, Bullerjahn, G, Ubbink, M.
登録日2007-11-22
公開日2008-02-12
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Dynamics in the transient complex of plastocyanin-cytochrome f from Prochlorothrix hollandica.
J.Am.Chem.Soc., 130, 2008
5AGC
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BU of 5agc by Molmil
Crystallographic forms of the Vps75 tetramer
分子名称: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 75
著者Hammond, C.M, Sundaramoorthy, R, Owen-Hughes, T.
登録日2015-01-29
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献The Histone Chaperone Vps75 Forms Multiple Oligomeric Assemblies Capable of Mediating Exchange between Histone H3-H4 Tetramers and Asf1-H3-H4 Complexes.
Nucleic Acids Res., 44, 2016
4R28
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BU of 4r28 by Molmil
MspJI Restriction Endonuclease in Complex with 27-mer Oligonucleotide
分子名称: DNA (25-MER), DNA (26-MER), Restriction endonuclease
著者Horton, J.R, Cheng, X.
登録日2014-08-10
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.055 Å)
主引用文献Modification-dependent restriction endonuclease, MspJI, flips 5-methylcytosine out of the DNA helix.
Nucleic Acids Res., 42, 2014
3GHE
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BU of 3ghe by Molmil
Crystal structure of anti-HIV-1 Fab 537-10D in complex with V3 peptide MN
分子名称: Envelope glycoprotein, Fab 537-10D, heavy chain, ...
著者Kong, X.P, Burke, V.J.
登録日2009-03-03
公開日2009-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of the cross-reactivity of genetically related human anti-HIV-1 mAbs: implications for design of V3-based immunogens
Structure, 17, 2009
2JN7
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BU of 2jn7 by Molmil
Northeast Structural Genomics Consortium Target ER411
分子名称: protein yfjZ
著者Tian, F, Zhao, L, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG)
登録日2006-12-28
公開日2007-01-09
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献NMR solution structure of E.Coli hypothetical protein YFJZ
To be Published
2M6Q
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BU of 2m6q by Molmil
Refined Solution NMR Structure of Staphylococcus aureus protein SAV1430. Northeast Strucutral Genomics Consortium Target ZR18
分子名称: SAV1430
著者Baran, M.C, Aramini, J.M, Huang, Y.J, Xiao, R, Acton, T.B, Shih, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2013-04-08
公開日2013-05-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献PDBStat: a universal restraint converter and restraint analysis software package for protein NMR.
J.Biomol.Nmr, 56, 2013
3GHB
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BU of 3ghb by Molmil
Crystal structure of anti-HIV-1 Fab 447-52D in complex with V3 peptide W2RW020
分子名称: Envelope glycoprotein, Fab 447-52D, heavy chain, ...
著者Kong, X.P, Burke, V.J.
登録日2009-03-03
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of the cross-reactivity of genetically related human anti-HIV-1 mAbs: implications for design of V3-based immunogens
Structure, 17, 2009
4PVF
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BU of 4pvf by Molmil
Crystal structure of Homo sapiens holo serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), isoform 3, transcript variant 5, 483 aa, at 2.6 ang. resolution
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine hydroxymethyltransferase, ...
著者Giardina, G, Brunotti, P, Fiascarelli, A, Contestabile, R, Cutruzzola, F.
登録日2014-03-17
公開日2015-01-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state.
Febs J., 282, 2015
7JJD
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BU of 7jjd by Molmil
Sarcin-ricin loop with guanosine monothiophosphate residue.
分子名称: RNA (27-MER)
著者Pallan, P.S, Egli, M, Harp, J.M.
登録日2020-07-25
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
7JJE
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BU of 7jje by Molmil
Sarcin-ricin loop with guanosine dithiophosphate residue.
分子名称: RNA (27-MER)
著者Pallan, P.S, Egli, M, Harp, J.M.
登録日2020-07-25
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
7JJF
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BU of 7jjf by Molmil
Sarcin-ricin loop with modified residue.
分子名称: MAGNESIUM ION, RNA/DNA (27-mer)
著者Harp, J.M, Pallan, P.S, Egli, M.
登録日2020-07-25
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
1Y9M
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BU of 1y9m by Molmil
Crystal structure of exo-inulinase from Aspergillus awamori in spacegroup P212121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
登録日2004-12-16
公開日2004-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of exo-inulinase from Aspergillus awamori: the enzyme fold and structural determinants of substrate recognition
J.Mol.Biol., 344, 2004
1Y9G
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BU of 1y9g by Molmil
Crystal structure of exo-inulinase from Aspergillus awamori complexed with fructose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-fructofuranose, ...
著者Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
登録日2004-12-15
公開日2004-12-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of exo-inulinase from Aspergillus awamori: the enzyme fold and structural determinants of substrate recognition
J.Mol.Biol., 344, 2004
1Y4W
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BU of 1y4w by Molmil
Crystal structure of exo-inulinase from Aspergillus awamori in spacegroup P21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
登録日2004-12-01
公開日2004-12-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of exo-inulinase from Aspergillus awamori: the enzyme fold and structural determinants of substrate recognition
J.Mol.Biol., 344, 2004
2HEQ
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BU of 2heq by Molmil
NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399.
分子名称: YorP protein
著者Ramelot, T.A, Cort, J.R, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.M, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-21
公開日2006-08-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399.
To be Published
2ID1
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BU of 2id1 by Molmil
X-Ray Crystal Structure of Protein CV0518 from Chromobacterium violaceum, Northeast Structural Genomics Consortium Target CvR5.
分子名称: Hypothetical protein, IODIDE ION
著者Forouhar, F, Zhou, W, Seetharaman, J, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, 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2017-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献

2M87
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BU of 2m87 by Molmil
Structural Basis of DNA Recognition by the Effector Domain of Klebsiella pneumoniae PmrA
分子名称: Transcriptional regulatory protein basR/pmrA
著者Wang, I, Lou, Y.C, Chen, C.
登録日2013-05-07
公開日2014-01-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure and tandem DNA recognition of the C-terminal effector domain of PmrA from Klebsiella pneumoniae.
Nucleic Acids Res., 42, 2014

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