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8DYH
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BU of 8dyh by Molmil
IL17A homodimer bound to Compound 6
Descriptor: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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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BU of 8dyf by Molmil
IL17A homodimer bound to Compound 10
Descriptor: (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
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite: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
Descriptor: MRE-1, MYB3
Authors:Wei, S.-Y, Lou, Y.-C, Tsai, J.-Y, Hsu, H.-M, Tai, J.-H, Hsiao, C.-D, Chen, C.
Deposit date:2011-06-09
Release date:2012-04-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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.
Descriptor: 1,2-ETHANEDIOL, Dephospho-CoA kinase, SULFATE ION
Authors: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)
Deposit date:2006-09-19
Release date:2006-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:

6FL5
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BU of 6fl5 by Molmil
Structure of human SHMT1-H135N-R137A-E168N mutant at 3.6 Ang. resolution
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, ...
Authors:Giardina, G, Cutruzzola, F, Lucchi, R.
Deposit date:2018-01-25
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite: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
Descriptor: Hydrogenase-1 operon protein hyaE
Authors: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)
Deposit date:2006-06-23
Release date:2006-08-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: 3C-like proteinase, ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-ARG-GLU-SEC
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2021-07-30
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: COPPER (II) ION, Cytochrome f, HEME C, ...
Authors:Hulsker, R, Baranova, M, Bullerjahn, G, Ubbink, M.
Deposit date:2007-11-22
Release date:2008-02-12
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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
Descriptor: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 75
Authors:Hammond, C.M, Sundaramoorthy, R, Owen-Hughes, T.
Deposit date:2015-01-29
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4 Å)
Cite: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
Descriptor: DNA (25-MER), DNA (26-MER), Restriction endonuclease
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-08-10
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.055 Å)
Cite: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
Descriptor: Envelope glycoprotein, Fab 537-10D, heavy chain, ...
Authors:Kong, X.P, Burke, V.J.
Deposit date:2009-03-03
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: protein yfjZ
Authors: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)
Deposit date:2006-12-28
Release date:2007-01-09
Last modified:2024-05-08
Method:SOLUTION NMR
Cite: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
Descriptor: SAV1430
Authors:Baran, M.C, Aramini, J.M, Huang, Y.J, Xiao, R, Acton, T.B, Shih, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-08
Release date:2013-05-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Envelope glycoprotein, Fab 447-52D, heavy chain, ...
Authors:Kong, X.P, Burke, V.J.
Deposit date:2009-03-03
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine hydroxymethyltransferase, ...
Authors:Giardina, G, Brunotti, P, Fiascarelli, A, Contestabile, R, Cutruzzola, F.
Deposit date:2014-03-17
Release date:2015-01-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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.
Descriptor: RNA (27-MER)
Authors:Pallan, P.S, Egli, M, Harp, J.M.
Deposit date:2020-07-25
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.21 Å)
Cite: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.
Descriptor: RNA (27-MER)
Authors:Pallan, P.S, Egli, M, Harp, J.M.
Deposit date:2020-07-25
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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.
Descriptor: MAGNESIUM ION, RNA/DNA (27-mer)
Authors:Harp, J.M, Pallan, P.S, Egli, M.
Deposit date:2020-07-25
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
Deposit date:2004-12-16
Release date:2004-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: 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, ...
Authors:Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
Deposit date:2004-12-15
Release date:2004-12-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
Deposit date:2004-12-01
Release date:2004-12-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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.
Descriptor: YorP protein
Authors: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)
Deposit date:2006-06-21
Release date:2006-08-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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.
Descriptor: Hypothetical protein, IODIDE ION
Authors: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)
Deposit date:2006-09-13
Release date:2006-09-26
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:

2M87
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BU of 2m87 by Molmil
Structural Basis of DNA Recognition by the Effector Domain of Klebsiella pneumoniae PmrA
Descriptor: Transcriptional regulatory protein basR/pmrA
Authors:Wang, I, Lou, Y.C, Chen, C.
Deposit date:2013-05-07
Release date:2014-01-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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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