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PDB: 224 results

8GWS
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BU of 8gws by Molmil
SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4
Descriptor: Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG
Authors:Liu, M, Fu, Z, Huang, H.
Deposit date:2022-09-17
Release date:2023-08-23
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
6EDF
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BU of 6edf by Molmil
Fragment of a tyrosine-protein kinase
Descriptor: FYN, GLYCEROL, UNKNOWN ATOM OR ION
Authors:Tempel, W, Huang, H, Sochirca, I, Liu, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sidhu, S.S, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-08-09
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment of a tyrosine-protein kinase
To be Published
1DDP
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BU of 1ddp by Molmil
Solution structure of a CISPLATIN-INDUCED [CATAGCTATG]2 Interstrand cross-link
Descriptor: Cisplatin, DNA (5'-D(*CP*AP*TP*AP*GP*CP*TP*AP*TP*G)-3')
Authors:Zhu, L, Huang, H, Reid, B.R, Drobny, G.P, Hopkins, P.B.
Deposit date:1995-10-26
Release date:1996-03-08
Last modified:2024-03-13
Method:SOLUTION NMR
Cite:Solution structure of a cisplatin-induced DNA interstrand cross-link.
Science, 270, 1995
5IJB
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BU of 5ijb by Molmil
The ligand-free structure of the mouse TLR4/MD-2 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, Lymphocyte antigen 96, ...
Authors:Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B.
Deposit date:2016-03-01
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IJC
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BU of 5ijc by Molmil
The crystal structure of mouse TLR4/MD-2/neoseptin-3 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, Lymphocyte antigen 96, ...
Authors:Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B.
Deposit date:2016-03-01
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IJD
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BU of 5ijd by Molmil
The crystal structure of mouse TLR4/MD-2/lipid A complex
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B.
Deposit date:2016-03-01
Release date:2016-04-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
3MAZ
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BU of 3maz by Molmil
Crystal Structure of the Human BRDG1/STAP-1 SH2 Domain in Complex with the NTAL pTyr136 Peptide
Descriptor: CheD family protein, MALONATE ION, Signal-transducing adaptor protein 1
Authors:Kaneko, T, Huang, H, Zhao, B, Li, L, Liu, H, Voss, C.K, Wu, C, Schiller, M.R, Li, S.S.
Deposit date:2010-03-24
Release date:2010-05-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Loops govern SH2 domain specificity by controlling access to binding pockets.
Sci.Signal., 3, 2010
2ROA
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BU of 2roa by Molmil
Solution structure of calcium bound soybean calmodulin isoform 4 N-terminal domain
Descriptor: CALCIUM ION, Calmodulin
Authors:Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J.
Deposit date:2008-03-14
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
2RO9
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BU of 2ro9 by Molmil
Solution structure of calcium bound soybean calmodulin isoform 1 C-terminal domain
Descriptor: CALCIUM ION, Calmodulin-2
Authors:Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J.
Deposit date:2008-03-14
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
3R45
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BU of 3r45 by Molmil
Structure of a CENP-A-Histone H4 Heterodimer in complex with chaperone HJURP
Descriptor: GLYCEROL, Histone H3-like centromeric protein A, Histone H4, ...
Authors:Hu, H, Liu, Y, Wang, M, Fang, J, Huang, H, Yang, N, Li, Y, Wang, J, Yao, X, Shi, Y, Li, G, Xu, R.M.
Deposit date:2011-03-17
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a CENP-A-histone H4 heterodimer in complex with chaperone HJURP
Genes Dev., 25, 2011
2ROB
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BU of 2rob by Molmil
Solution structure of calcium bound soybean calmodulin isoform 4 C-terminal domain
Descriptor: CALCIUM ION, Calmodulin
Authors:Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J.
Deposit date:2008-03-14
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
2RO8
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BU of 2ro8 by Molmil
Solution structure of calcium bound soybean calmodulin isoform 1 N-terminal domain
Descriptor: CALCIUM ION, Calmodulin
Authors:Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J.
Deposit date:2008-03-14
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008
6U8K
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BU of 6u8k by Molmil
Crystal structure of hepatitis C virus IRES junction IIIabc in complex with Fab HCV3
Descriptor: Heavy chain of Fab HCV3, JIIIabc RNA (68-MER), Light chain of Fab HCV3
Authors:Koirala, D, Lewicka, A, Koldobskaya, Y, Huang, H, Piccirilli, J.A.
Deposit date:2019-09-05
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Synthetic Antibody Binding to a Preorganized RNA Domain of Hepatitis C Virus Internal Ribosome Entry Site Inhibits Translation.
Acs Chem.Biol., 15, 2020
4A4T
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BU of 4a4t by Molmil
UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops
Descriptor: 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*UP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3'
Authors:Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G.
Deposit date:2011-10-20
Release date:2012-05-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
4A4R
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BU of 4a4r by Molmil
UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops
Descriptor: 5'-R(*GMP*GP*AP*CP*CP*CP*GP*GP*CP*UP*AP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3'
Authors:Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G.
Deposit date:2011-10-20
Release date:2012-05-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
4AZW
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BU of 4azw by Molmil
Crystal structure of monomeric WbdD.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, S-ADENOSYLMETHIONINE, ...
Authors:Hagelueken, G, Huang, H, Naismith, J.H.
Deposit date:2012-06-26
Release date:2012-09-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A.
Mol.Microbiol., 86, 2012
4AZV
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BU of 4azv by Molmil
Co-crystal structure of WbdD and kinase inhibitor GW435821x.
Descriptor: CHLORIDE ION, S-ADENOSYLMETHIONINE, SULFATE ION, ...
Authors:Hagelueken, G, Huang, H, Naismith, J.H.
Deposit date:2012-06-26
Release date:2012-09-26
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A.
Mol.Microbiol., 86, 2012
8GXN
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BU of 8gxn by Molmil
The crystal structure of CsFAOMT2 in complex with SAH
Descriptor: MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, caffeyl-CoA-O-methyltransferase
Authors:Zhang, Z.M, Zhou, Y.E, Huang, H.S.
Deposit date:2022-09-20
Release date:2023-09-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Characterization of two O-methyltransferases involved in the biosynthesis of O-methylated catechins in tea plant.
Nat Commun, 14, 2023
8GXO
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The crystal structure of CsFAOMT1 in complex with SAH
Descriptor: Caffeoyl-CoA O-methyltransferase, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Zhang, Z.M, Zhou, Y.E, Huang, H.S.
Deposit date:2022-09-20
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Characterization of two O-methyltransferases involved in the biosynthesis of O-methylated catechins in tea plant.
Nat Commun, 14, 2023
6U8D
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BU of 6u8d by Molmil
Crystal structure of hepatitis C virus IRES junction IIIabc in complex with Fab HCV2
Descriptor: Heavy chain of Fab HCV2, JIIIabc RNA (68-MER), Light chain of Fab HCV2
Authors:Koirala, D, Lewicka, A, Koldobskaya, Y, Huang, H, Piccirilli, J.A.
Deposit date:2019-09-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Synthetic Antibody Binding to a Preorganized RNA Domain of Hepatitis C Virus Internal Ribosome Entry Site Inhibits Translation.
Acs Chem.Biol., 15, 2020
2W8I
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BU of 2w8i by Molmil
Crystal structure of Wza24-345.
Descriptor: PUTATIVE OUTER MEMBRANE LIPOPROTEIN WZA
Authors:Hagelueken, G, Ingledew, W.J, Huang, H, Petrovic-Stojanovska, B, Whitfield, C, ElMkami, H, Schiemann, O, Naismith, J.H.
Deposit date:2009-01-16
Release date:2009-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Peldor Distance Fingerprinting of the Octameric Outer-Membrane Protein Wza from Escherichia Coli.
Angew.Chem.Int.Ed.Engl., 48, 2009
4AZT
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BU of 4azt by Molmil
Co-crystal structure of WbdD and kinase inhibitor LY294002.
Descriptor: 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, CHLORIDE ION, METHYLTRANSFERASE WBDD, ...
Authors:Hagelueken, G, Huang, H, Naismith, J.H.
Deposit date:2012-06-26
Release date:2012-09-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A.
Mol.Microbiol., 86, 2012
4A4S
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BU of 4a4s by Molmil
UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops
Descriptor: 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*CP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3'
Authors:Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G.
Deposit date:2011-10-20
Release date:2012-05-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012
2W8H
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BU of 2w8h by Molmil
Crystal structure of spin labeled Wza24-345.
Descriptor: CHLORIDE ION, PUTATIVE OUTER MEMBRANE LIPOPROTEIN WZA, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Hagelueken, G, Ingledew, W.J, Huang, H, Petrovic-Stojanovska, B, Whitfield, C, ElMkami, H, Schiemann, O, Naismith, J.H.
Deposit date:2009-01-16
Release date:2009-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Peldor Distance Fingerprinting of the Octameric Outer-Membrane Protein Wza from Escherichia Coli.
Angew.Chem.Int.Ed.Engl., 48, 2009
4A4U
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BU of 4a4u by Molmil
UNAC Tetraloops: To What Extent Can They Mimic GNRA Tetraloops
Descriptor: 5'-R(*GP*GP*AP*CP*CP*CP*GP*GP*CP*UP*GP*AP*CP*GP *CP*UP*GP*GP*GP*UP*CP*C)-3'
Authors:Zhao, Q, Huang, H, Nagaswamy, U, Xia, Y, Gao, X, Fox, G.
Deposit date:2011-10-20
Release date:2012-05-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Unac Tetraloops: To What Extent Can They Mimic Gnra Tetraloops
Biopolymers, 97, 2012

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