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PDB: 969 results

1UFL
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BU of 1ufl by Molmil
Crystal Structure of TT1020 from Thermus thermophilus HB8
Descriptor: Nitrogen regulatory protein P-II
Authors:Wang, H, Sakai, H, Hori-Takemoto, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-05-31
Release date:2003-11-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005
8I0E
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BU of 8i0e by Molmil
Sb3GT1 complex with UDP
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Wang, H.T, Wang, Z.L, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
8I0D
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BU of 8i0d by Molmil
Sb3GT1 375S/Q377H mutant complex with UDP-Glc
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Wang, H.T, Wang, Z.L, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
3K3H
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BU of 3k3h by Molmil
Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691
Descriptor: 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H.
Deposit date:2009-10-02
Release date:2010-02-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
1ZKL
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BU of 1zkl by Molmil
Multiple Determinants for Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, High-affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ...
Authors:Wang, H, Liu, Y, Chen, Y, Robinson, H, Ke, H.
Deposit date:2005-05-03
Release date:2005-07-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Multiple elements jointly determine inhibitor selectivity of cyclic nucleotide phosphodiesterases 4 and 7
J.Biol.Chem., 280, 2005
1V3R
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BU of 1v3r by Molmil
Crystal structure of TT1020 from Thermus thermophilus HB8
Descriptor: Nitrogen regulatory protein P-II
Authors:Wang, H, Sakai, H, Takemoto-Hori, C, Kaminishi, T, Yamaguchi, H, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-05
Release date:2004-11-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8.
J.Struct.Biol., 149, 2005
3VK0
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BU of 3vk0 by Molmil
Crystal Structure of hypothetical transcription factor NHTF from Neisseria
Descriptor: Transcriptional regulator
Authors:Wang, H.-C, Ko, T.-P, Wu, M.-L, Wu, H.-J, Ku, S.-C, Wang, A.H.-J.
Deposit date:2011-11-01
Release date:2012-03-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Neisseria conserved protein DMP19 is a DNA mimic protein that prevents DNA binding to a hypothetical nitrogen-response transcription factor
Nucleic Acids Res., 2012
3ECN
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BU of 3ecn by Molmil
Crystal structure of PDE8A catalytic domain in complex with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H.
Deposit date:2008-09-01
Release date:2008-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity
Biochemistry, 47, 2008
6M89
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BU of 6m89 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6IO6
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BU of 6io6 by Molmil
Silver-bound Glyceraldehyde-3-phosphate dehydrogenase A at non-catalytic site
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A, SILVER ION
Authors:Wang, H, Sun, H, Wang, M.
Deposit date:2018-10-29
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Antimicrobial silver targets glyceraldehyde-3-phosphate dehydrogenase in glycolysis ofE. coli.
Chem Sci, 10, 2019
6M8D
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BU of 6m8d by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with diosmetin
Descriptor: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6LMH
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BU of 6lmh by Molmil
Structure of an ASFV-derived histone-like protein pA104R
Descriptor: pA104R
Authors:Wang, H, Qi, J, Chai, Y, Gao, F.
Deposit date:2019-12-25
Release date:2020-05-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
6M8B
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BU of 6m8b by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with kaempferol
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8C
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BU of 6m8c by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with isorhamnetin
Descriptor: Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, isorhamnetin
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6LZH
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BU of 6lzh by Molmil
Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18
Descriptor: GrgF, SODIUM ION
Authors:Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M.
Deposit date:2020-02-19
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A.
J.Am.Chem.Soc., 142, 2020
6M8E
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BU of 6m8e by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with rhamnetin
Descriptor: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8A
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BU of 6m8a by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with luteolin
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2018-08-21
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
3VJZ
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BU of 3vjz by Molmil
Crystal structure of the DNA mimic protein DMP19
Descriptor: Putative uncharacterized protein
Authors:Wang, H.-C, Ko, T.-P, Wang, A.H.-J.
Deposit date:2011-11-01
Release date:2012-03-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Neisseria conserved protein DMP19 is a DNA mimic protein that prevents DNA binding to a hypothetical nitrogen-response transcription factor
Nucleic Acids Res., 2012
1FBN
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BU of 1fbn by Molmil
CRYSTAL STRUCTURE OF A FIBRILLARIN HOMOLOGUE FROM METHANOCOCCUS JANNASCHII, A HYPERTHERMOPHILE, AT 1.6 A
Descriptor: MJ FIBRILLARIN HOMOLOGUE
Authors:Wang, H, Boisvert, D, Kim, K.K, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
Deposit date:1999-04-25
Release date:2000-04-26
Last modified:2014-11-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a fibrillarin homologue from Methanococcus jannaschii, a hyperthermophile, at 1.6 A resolution.
EMBO J., 19, 2000
8H3G
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BU of 8h3g by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
Authors:Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3L
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BU of 8h3l by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
3W1O
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BU of 3w1o by Molmil
Neisseria DNA mimic protein DMP12
Descriptor: DNA mimic protein DMP12, MAGNESIUM ION
Authors:Wang, H.C, Ko, T.P, Wu, M.L, Wang, A.H.J.
Deposit date:2012-11-19
Release date:2013-04-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Neisseria conserved hypothetical protein DMP12 is a DNA mimic that binds to histone-like HU protein
Nucleic Acids Res., 41, 2013
8H3K
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ...
Authors:Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8HEI
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BU of 8hei by Molmil
Crystal structure of CTSB in complex with E64d
Descriptor: Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HET
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BU of 8het by Molmil
Crystal structure of CTSL in complex with E64d
Descriptor: Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023

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