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4N28
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BU of 4n28 by Molmil
Crystal structure of Protein Arginine Deiminase 2 (1 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.879 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4RTR
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BU of 4rtr by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoMet and a 5-bp non-canonical site (GTTTA )
Descriptor: DNA (5'-D(*AP*CP*TP*TP*AP*AP*AP*CP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*GP*TP*TP*TP*AP*AP*G)-3'), DNA adenine methylase, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-11-15
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTJ
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BU of 4rtj by Molmil
A non-cognate complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with DNA and Sinefungin
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*CP*TP*AP*GP*AP*TP*CP*TP*AP*GP*A)-3'), DNA adenine methylase, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-11-15
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTM
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BU of 4rtm by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoMet and with DNA Containing Distal Pap Regulon Sequence
Descriptor: DNA (5'-D(*AP*CP*GP*AP*TP*CP*TP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*AP*GP*AP*TP*CP*G)-3'), DNA adenine methylase, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-11-15
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4PBA
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BU of 4pba by Molmil
The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Substrate-like DNA
Descriptor: DNA (32-MER), Uncharacterized protein AbaSI
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-04-11
Release date:2014-06-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
4N2E
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BU of 4n2e by Molmil
Crystal structure of Protein Arginine Deiminase 2 (D123N, 10 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.858 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N25
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BU of 4n25 by Molmil
Crystal structure of Protein Arginine Deiminase 2 (250 uM Ca2+)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N2N
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BU of 4n2n by Molmil
Crystal structure of Protein Arginine Deiminase 2 (E354A, 10 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-05
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N2H
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BU of 4n2h by Molmil
Crystal structure of Protein Arginine Deiminase 2 (D177A, 0 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4RTP
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BU of 4rtp by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoMet and with DNA Containing Proximal Pap Regulon Sequence
Descriptor: DNA (5'-D(*AP*CP*GP*AP*TP*CP*TP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*AP*GP*AP*TP*CP*G)-3'), DNA adenine methylase, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-11-15
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4N20
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BU of 4n20 by Molmil
Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4RTK
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BU of 4rtk by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with SAH and with DNA Containing Distal Pap Regulon Sequence
Descriptor: DNA (5'-D(*AP*CP*GP*AP*TP*CP*TP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*AP*GP*AP*TP*CP*G)-3'), DNA adenine methylase, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-11-15
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTL
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BU of 4rtl by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with Sinefungin and with DNA Containing Distal Pap Regulon Sequence
Descriptor: DNA (5'-D(*AP*CP*GP*AP*TP*CP*TP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*AP*GP*AP*TP*CP*G)-3'), DNA adenine methylase, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-11-15
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
2L83
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BU of 2l83 by Molmil
A protein from Haloferax volcanii
Descriptor: Small archaeal modifier protein 1
Authors:Zhang, W, Liao, S, Fan, K, Tu, X.
Deposit date:2011-01-03
Release date:2012-01-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP1) from Haloferax volcanii.
Protein Sci., 22, 2013
9LDS
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BU of 9lds by Molmil
Crystal structure of nanobody H145 bound to SARS-CoV-2 spike stem-helix
Descriptor: H145, Spike protein S2'
Authors:Lu, G.W, Guo, L.Y, Lin, S.
Deposit date:2025-01-06
Release date:2025-04-02
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis and mode of action for two broadly neutralizing nanobodies targeting the highly conserved spike stem-helix of sarbecoviruses including SARS-CoV-2 and its variants.
Plos Pathog., 21, 2025
9KBG
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BU of 9kbg by Molmil
The structure of B19V NS1_2-570/AMPPNP
Descriptor: MAGNESIUM ION, Non-structural protein 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Gan, J, Zhang, Y.
Deposit date:2024-10-30
Release date:2025-07-09
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structural and functional studies of the main replication protein NS1 of human parvovirus B19.
Nucleic Acids Res., 53, 2025
9KBJ
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BU of 9kbj by Molmil
The structure of B19V NS1_200-501/AMPPNP
Descriptor: MAGNESIUM ION, Non-structural protein 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Gan, J, Zhang, Y.
Deposit date:2024-10-30
Release date:2025-07-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and functional studies of the main replication protein NS1 of human parvovirus B19.
Nucleic Acids Res., 53, 2025
9KBH
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BU of 9kbh by Molmil
The structure of B19V NS1_2-570/ssDNA/AMPPNP
Descriptor: DNA (67-MER), MAGNESIUM ION, Non-structural protein 1, ...
Authors:Gan, J, Zhang, Y.
Deposit date:2024-10-30
Release date:2025-07-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and functional studies of the main replication protein NS1 of human parvovirus B19.
Nucleic Acids Res., 53, 2025
9KBI
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BU of 9kbi by Molmil
The structure of B19V NS1_2-570/dsDNA/AMPPNP
Descriptor: DNA (48-MER), MAGNESIUM ION, Non-structural protein 1, ...
Authors:Gan, J, Zhang, Y.
Deposit date:2024-10-30
Release date:2025-07-09
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structural and functional studies of the main replication protein NS1 of human parvovirus B19.
Nucleic Acids Res., 53, 2025
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
7T9U
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BU of 7t9u by Molmil
Crystal structure of hSTING with an agonist (SHR169224)
Descriptor: (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
7T9V
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BU of 7t9v by Molmil
Crystal structure of hSTING with the agonist, SHR171032
Descriptor: (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
4OC8
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BU of 4oc8 by Molmil
DNA modification-dependent restriction endonuclease AspBHI
Descriptor: PHOSPHATE ION, restriction endonuclease AspBHI
Authors:Horton, J.R.
Deposit date:2014-01-08
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.884 Å)
Cite:Structure and mutagenesis of the DNA modification-dependent restriction endonuclease AspBHI.
Sci Rep, 4, 2014
4Z7P
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BU of 4z7p by Molmil
X-ray structure of racemic ShK Q16K toxin
Descriptor: Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION
Authors:Sickmier, E.A.
Deposit date:2015-04-07
Release date:2015-09-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.
J.Med.Chem., 58, 2015

238582

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