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4QN2
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BU of 4qn2 by Molmil
2.6 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) in complex with NAD+ and BME-free Cys289
Descriptor: ACETATE ION, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-06-17
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
6JK2
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BU of 6jk2 by Molmil
Crystal structure of a mini fungal lectin, PhoSL
Descriptor: Lectin, SULFATE ION
Authors:Lou, Y.C, Chou, C.C, Yeh, H.H, Chien, C.Y, Sushant, S, Chen, C, Hsu, C.H.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structural insights into the role of N-terminal integrity in PhoSL for core-fucosylated N-glycan recognition.
Int.J.Biol.Macromol., 255, 2023
6JK3
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BU of 6jk3 by Molmil
Crystal structure of a mini fungal lectin, PhoSL in complex with core-fucosylated chitobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lectin
Authors:Lou, Y.C, Chou, C.C, Yeh, H.H, Chien, C.Y, Sushant, S, Chen, C, Hsu, C.H.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structural insights into the role of N-terminal integrity in PhoSL for core-fucosylated N-glycan recognition.
Int.J.Biol.Macromol., 255, 2023
6IDO
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BU of 6ido by Molmil
Crystal structure of Klebsiella pneumoniae sigma4 of sigmaS fusing with the RNA polymerase beta-flap-tip-helix in complex with -35 element DNA
Descriptor: DNA (5'-D(P*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*AP*AP*TP*CP*G)-3'), DNA (5'-D(P*GP*AP*TP*TP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*C)-3'), RNA polymerase sigma factor RpoS,RNA polymerase beta-flap-tip-helix
Authors:Lou, Y.C, Chien, C.Y, Chen, C, Hsu, C.H.
Deposit date:2018-09-10
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.748 Å)
Cite:Structural basis for -35 element recognition by sigma4chimera proteins and their interactions with PmrA response regulator.
Proteins, 88, 2020
7CWY
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BU of 7cwy by Molmil
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP
Descriptor: Decarboxylase
Authors:Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP
to be published
7CX0
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BU of 7cx0 by Molmil
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor carbidopa
Descriptor: CARBIDOPA, Decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor carbidopa
to be published
7CWZ
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BU of 7cwz by Molmil
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis K392A mutant in complex with the cofactor PLP and L-dopa
Descriptor: Decarboxylase, L-DOPAMINE, MAGNESIUM ION, ...
Authors:Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis K392A mutant in complex with the cofactor PLP and L-dopa
to be published
7CX1
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BU of 7cx1 by Molmil
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine
Descriptor: 4-[(2R)-2-(methylamino)propyl]phenol, Decarboxylase
Authors:Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis in complex with the cofactor PLP and inhibitor methyl-tyrosine
to be published
7CWX
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BU of 7cwx by Molmil
Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis
Descriptor: DI(HYDROXYETHYL)ETHER, Decarboxylase, GLYCEROL
Authors:Yu, X, Gong, M, Huang, J, Liu, W, Chen, C, Guo, R.
Deposit date:2020-09-01
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of a tyrosine decarboxylase from Enterococcus faecalis
to be published
7E58
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BU of 7e58 by Molmil
interferon-inducible anti-viral protein 2
Descriptor: Guanylate-binding protein 2
Authors:Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T.
Deposit date:2021-02-18
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
7E59
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BU of 7e59 by Molmil
interferon-inducible anti-viral protein truncated
Descriptor: Guanylate-binding protein 5
Authors:Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T.
Deposit date:2021-02-18
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
7E5A
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BU of 7e5a by Molmil
interferon-inducible anti-viral protein R356A
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ...
Authors:Cui, W, Wang, W, Chen, C, Slater, B, Xiong, Y, Ji, X.Y, Yang, H.T.
Deposit date:2021-02-18
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
7VE4
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BU of 7ve4 by Molmil
C-terminal domain of VraR
Descriptor: DNA-binding response regulator
Authors:Kumar, J.V, Chen, C, Hsu, C.H.
Deposit date:2021-09-08
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural insights into DNA binding domain of vancomycin-resistance-associated response regulator in complex with its promoter DNA from Staphylococcus aureus.
Protein Sci., 31, 2022
7VE6
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BU of 7ve6 by Molmil
N-terminal domain of VraR
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator protein VraR
Authors:Kumar, J.V, Chen, C, Hsu, C.H.
Deposit date:2021-09-08
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural insights into DNA binding domain of vancomycin-resistance-associated response regulator in complex with its promoter DNA from Staphylococcus aureus.
Protein Sci., 31, 2022
7VE5
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BU of 7ve5 by Molmil
C-terminal domain of VraR
Descriptor: DNA-binding response regulator, MAGNESIUM ION, R1-DNA
Authors:Kumar, J.V, Chen, C, Hsu, C.H.
Deposit date:2021-09-08
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into DNA binding domain of vancomycin-resistance-associated response regulator in complex with its promoter DNA from Staphylococcus aureus.
Protein Sci., 31, 2022
3UE5
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BU of 3ue5 by Molmil
ECP-cleaved Actin in complex with Spir domain D
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Chen, C, Phillips, M, Sawaya, M.R, Ralston, C.Y, Quinlan, M.E.
Deposit date:2011-10-28
Release date:2012-02-15
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Multiple Forms of Spire-Actin Complexes and their Functional Consequences.
J.Biol.Chem., 287, 2012
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
Deposit date:2022-06-28
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
5DRY
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BU of 5dry by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-16
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DT2
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BU of 5dt2 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DRT
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BU of 5drt by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide]
Descriptor: 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-16
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DSX
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BU of 5dsx by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
Descriptor: 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
2MC1
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BU of 2mc1 by Molmil
Solution structure of the Vav1 SH2 domain complexed with a Syk-derived singly phosphorylated peptide
Descriptor: Proto-oncogene vav, Tyrosine-protein kinase SYK
Authors:Chen, C, Piraner, D, Gorenstein, N.M, Geahlen, R.L, Post, C.B.
Deposit date:2013-08-13
Release date:2013-08-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Differential recognition of syk-binding sites by each of the two phosphotyrosine-binding pockets of the Vav SH2 domain.
Biopolymers, 99, 2013
3FDR
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BU of 3fdr by Molmil
Crystal structure of TDRD2
Descriptor: Tudor and KH domain-containing protein
Authors:Amaya, M.F, Adams, M.A, Guo, Y, Li, Y, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-11-26
Release date:2009-01-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mouse Piwi interactome identifies binding mechanism of Tdrkh Tudor domain to arginine methylated Miwi
Proc.Natl.Acad.Sci.USA, 106, 2009
2LCT
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BU of 2lct by Molmil
Solution structure of the Vav1 SH2 domain complexed with a Syk-derived doubly phosphorylated peptide
Descriptor: Proto-oncogene vav, Tyrosine-protein kinase SYK
Authors:Chen, C, Gorenstein, N, Post, C.
Deposit date:2011-05-09
Release date:2011-06-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Two closely spaced tyrosines regulate NFAT signaling in B cells via Syk association with Vav.
Mol.Cell.Biol., 31, 2011
4MPY
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BU of 4mpy by Molmil
1.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus (IDP00699) in complex with NAD+
Descriptor: Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-14
Release date:2013-10-09
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014

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数据于2024-06-12公开中

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