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PDB: 4046 results

8UUY
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BU of 8uuy by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUU
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BU of 8uuu by Molmil
SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UVM
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BU of 8uvm by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313
Descriptor: CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ...
Authors:Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-03
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUV
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BU of 8uuv by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197
Descriptor: CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ...
Authors:Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
2N8A
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BU of 2n8a by Molmil
1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break
Descriptor: DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION
Authors:Neuhaus, D, Eustermann, S, Yang, J, Wu, W.
Deposit date:2015-10-08
Release date:2015-12-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1.
Mol.Cell, 60, 2015
3ID3
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BU of 3id3 by Molmil
Crystal Structure of RseP PDZ2 I304A domain
Descriptor: Regulator of sigma E protease
Authors:Li, X, Wang, B, Feng, L, Wang, J, Shi, Y.
Deposit date:2009-07-20
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage
Proc.Natl.Acad.Sci.USA, 106, 2009
1FBE
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BU of 1fbe by Molmil
CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE
Descriptor: 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, FRUCTOSE 1,6-BISPHOSPHATASE, ZINC ION
Authors:Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N.
Deposit date:1992-10-16
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase.
Biochemistry, 32, 1993
2I7K
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BU of 2i7k by Molmil
Solution Structure of the Bromodomain of Human BRD7 Protein
Descriptor: Bromodomain-containing protein 7
Authors:Sun, H, Liu, J, Zhang, J, Huang, H, Wu, J, Shi, Y.
Deposit date:2006-08-31
Release date:2007-07-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of BRD7 bromodomain and its interaction with acetylated peptides from histone H3 and H4
Biochem.Biophys.Res.Commun., 358, 2007
3MGM
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BU of 3mgm by Molmil
Crystal structure of human NUDT16
Descriptor: U8 snoRNA-decapping enzyme
Authors:Yan, J, Lu, G, Zhang, J, Qi, J, Li, Z, Gao, F.
Deposit date:2010-04-07
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure and the template mRNA decapping activity of human NUDT16
To be Published
8WGF
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BU of 8wgf by Molmil
The Crystal Structure of JNK3 from Biortus.
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J.
Deposit date:2023-09-21
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of JNK3 from Biortus.
To Be Published
5FKP
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BU of 5fkp by Molmil
Crystal structure of the mouse CD1d in complex with the p99 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN-PRESENTING GLYCOPROTEIN CD1D1, BETA 2 MICROGLOBULIN, ...
Authors:Girardi, E, Wang, J, Zajonc, D.M.
Deposit date:2015-10-18
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of an Alpha-Helical Peptide and Lipopeptide Bound to the Non-Classical Mhc Class I Molecule Cd1D
J.Biol.Chem., 291, 2016
3RAU
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BU of 3rau by Molmil
Crystal structure of the HD-PTP Bro1 domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Mu, R.L, Jiang, J.S, Snyder, G, Smith, P, Xiao, T.
Deposit date:2011-03-28
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Phe105 Loop of Alix Bro1 Domain Plays a Key Role in HIV-1 Release.
Structure, 19, 2011
3J1T
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BU of 3j1t by Molmil
High affinity dynein microtubule binding domain - tubulin complex
Descriptor: Cytoplasmic dynein 1 heavy chain 1, seryl t-RNA synthetase chimera, Tubulin alpha-1B chain, ...
Authors:Redwine, W.B, Hernandez-Lopez, R, Zou, S, Huang, J, Reck-Peterson, S.L, Leschziner, A.E.
Deposit date:2012-06-25
Release date:2012-09-26
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9.7 Å)
Cite:Structural basis for microtubule binding and release by dynein.
Science, 337, 2012
3J3X
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BU of 3j3x by Molmil
Independent reconstruction of Mm-cpn cryo-EM density map from half dataset in the closed state (training map)
Descriptor: Chaperonin
Authors:DiMaio, F, Zhang, J, Chiu, W, Baker, D.
Deposit date:2013-05-02
Release date:2013-05-29
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM model validation using independent map reconstructions.
Protein Sci., 22, 2013
1FBF
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BU of 1fbf by Molmil
CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE
Descriptor: 2,5-anhydro-1,6-di-O-phosphono-D-mannitol, FRUCTOSE 1,6-BISPHOSPHATASE, MAGNESIUM ION
Authors:Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N.
Deposit date:1992-10-16
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase.
Biochemistry, 32, 1993
6BA6
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BU of 6ba6 by Molmil
Solution structure of Rap1b/talin complex
Descriptor: Ras-related protein Rap-1b, Talin-1
Authors:Zhu, L, Yang, J, Qin, J.
Deposit date:2017-10-12
Release date:2017-12-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of Rap1b bound to talin reveals a pathway for triggering integrin activation.
Nat Commun, 8, 2017
5IM7
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BU of 5im7 by Molmil
Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection
Descriptor: Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, HLA-B*58:01 Heavy Chain
Authors:Li, X, Wang, J.-H.
Deposit date:2016-03-05
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection.
Protein Cell, 7, 2016
5YKS
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BU of 5yks by Molmil
Crystal structure of sucrose nonfermenting-related kinase (SNRK)
Descriptor: SNF-related serine/threonine-protein kinase
Authors:Wang, Y.L, Wang, J, Wu, J.W.
Deposit date:2017-10-16
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the kinase and UBA domains of SNRK reveals a distinct UBA binding mode in the AMPK family.
Biochem. Biophys. Res. Commun., 495, 2018
5G2Y
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BU of 5g2y by Molmil
Structure a of Group II Intron Complexed with its Reverse Transcriptase
Descriptor: GROUP II INTRON
Authors:Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W.
Deposit date:2016-04-16
Release date:2016-05-04
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of a Group II Intron in Complex with its Reverse Transcriptase.
Nat.Struct.Mol.Biol., 23, 2016
6IZ2
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BU of 6iz2 by Molmil
Crystal structure of DinB/YfiT protein DR0053 from D. radiodurans R1
Descriptor: ACETATE ION, DinB/YfiT family protein, ZINC ION
Authors:Kim, M.-K, Zhang, J, Zhao, L.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:Crystal structure of the highly radiation-inducible DinB/YfiT superfamily protein DR0053 from Deinococcus radiodurans R1.
Biochem.Biophys.Res.Commun., 513, 2019
4M1Z
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BU of 4m1z by Molmil
Crystal structure of MycP1 with the N-terminal propeptide removed
Descriptor: Membrane-anchored mycosin mycp1
Authors:Sun, D.M, He, Y, Wang, C.L, Zang, J.Y, Tian, C.L.
Deposit date:2013-08-04
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The putative propeptide of MycP1 in mycobacterial type VII secretion system does not inhibit protease activity but improves protein stability.
Protein Cell, 4, 2013
5J71
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BU of 5j71 by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35
Descriptor: 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
Authors:Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T.
Deposit date:2016-04-05
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
5CJ9
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BU of 5cj9 by Molmil
Bacillus halodurans Arginine repressor, ArgR
Descriptor: Arginine repressor, S-1,2-PROPANEDIOL
Authors:Park, Y.W, Kang, J, Yeo, H.Y, Lee, J.Y.
Deposit date:2015-07-14
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Structural Analysis and Insights into the Oligomeric State of an Arginine-Dependent Transcriptional Regulator from Bacillus halodurans.
Plos One, 11, 2016
2KBE
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BU of 2kbe by Molmil
solution structure of amino-terminal domain of Dbp5p
Descriptor: ATP-dependent RNA helicase DBP5
Authors:Fan, J.S, Zhang, J, Yang, D.
Deposit date:2008-11-27
Release date:2009-10-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution and crystal structures of mRNA exporter Dbp5p and its interaction with nucleotides.
J.Mol.Biol., 388, 2009
4GZ3
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BU of 4gz3 by Molmil
Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide
Descriptor: 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S.
Deposit date:2012-09-05
Release date:2012-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural snapshots of the reaction coordinate for O-GlcNAc transferase.
Nat.Chem.Biol., 8, 2012

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