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4AGK
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BU of 4agk by Molmil
Crystal structure of capsid protein (110-267) from Aura virus
Descriptor: CAPSID PROTEIN
Authors:Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2012-01-30
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structure of Aura Virus Capsid Protease and its Complex with Dioxane: New Insights Into Capsid-Glycoprotein Molecular Contacts
Plos One, 7, 2012
4AGJ
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BU of 4agj by Molmil
Crystal structure of the capsid protein (110-267) from Aura virus in complex with dioxane
Descriptor: 1,4-DIETHYLENE DIOXIDE, CAPSID PROTEIN
Authors:Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2012-01-30
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of Aura Virus Capsid Protease and its Complex with Dioxane: New Insights Into Capsid-Glycoprotein Molecular Contacts.
Plos One, 7, 2012
5FTW
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BU of 5ftw by Molmil
Crystal structure of glutamate O-methyltransferase in complex with S- adenosyl-L-homocysteine (SAH) from Bacillus subtilis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHEMOTAXIS PROTEIN METHYLTRANSFERASE, GLYCEROL, ...
Authors:Sharma, R, Dhindwal, S, Batra, M, Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2016-01-18
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Pentapeptide-Independent Chemotaxis Receptor Methyltransferase (Cher) Reveals Idiosyncratic Structural Determinants for Receptor Recognition.
J.Struct.Biol., 196, 2016
1Y92
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BU of 1y92 by Molmil
Crystal structure of the P19A/N67D Variant Of Bovine seminal Ribonuclease
Descriptor: Seminal ribonuclease
Authors:Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L.
Deposit date:2004-12-14
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
1Y94
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BU of 1y94 by Molmil
Crystal structure of the G16S/N17T/P19A/S20A/N67D Variant Of Bovine seminal Ribonuclease
Descriptor: Seminal ribonuclease
Authors:Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L.
Deposit date:2004-12-14
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
5GMU
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BU of 5gmu by Molmil
Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Chlorogenic acid
Descriptor: (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, Protein AroA(G), SULFATE ION
Authors:Pratap, S, Dev, A, Sharma, V, Yadav, R, Narwal, M, Tomar, S, Kumar, P.
Deposit date:2016-07-16
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site.
Sci Rep, 7, 2017
5GO2
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BU of 5go2 by Molmil
Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Citrate
Descriptor: CITRIC ACID, Protein AroA(G), SULFATE ION
Authors:Pratap, S, Dev, A, Sharma, V, Yadav, R, Narwal, M, Tomar, S, Kumar, P.
Deposit date:2016-07-26
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site.
Sci Rep, 7, 2017
4ZTB
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BU of 4ztb by Molmil
Crystal structure of nsP2 protease from Chikungunya virus in P212121 space group at 2.59 A (4molecules/ASU).
Descriptor: GLYCEROL, Protease nsP2
Authors:Narwal, M, Pratap, S, Singh, H, Kumar, P, Tomar, S.
Deposit date:2015-05-14
Release date:2016-06-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of chikungunya virus nsP2 cysteine protease reveals a putative flexible loop blocking its active site.
Int.J.Biol.Macromol., 116, 2018
5ZEF
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BU of 5zef by Molmil
Crystal structure of Entamoeba histolytica Arginase in complex with L- Norvaline at 2.01 A
Descriptor: 1,2-ETHANEDIOL, Arginase, GLYCEROL, ...
Authors:Malik, A, Dalal, V, Ankri, S, Tomar, S.
Deposit date:2018-02-27
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
5ZEH
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BU of 5zeh by Molmil
Crystal structure of Entamoeba histolytica Arginase in complex with L- Ornithine at 2.35 A
Descriptor: 1,2-ETHANEDIOL, Arginase, L-ornithine, ...
Authors:Malik, A, Dalal, V, Ankri, S, Tomar, S.
Deposit date:2018-02-27
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
5ZEE
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BU of 5zee by Molmil
Crystal structure of Entamoeba histolytica Arginase in complex with N(omega)-hydroxy-L-arginine (NOHA) at 1.74 A
Descriptor: 1,2-ETHANEDIOL, Arginase, MANGANESE (II) ION, ...
Authors:Malik, A, Dalal, V, Ankri, S, Tomar, S.
Deposit date:2018-02-27
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
2VS2
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BU of 2vs2 by Molmil
Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.
Descriptor: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide
Authors:Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J.
Deposit date:2008-04-17
Release date:2008-05-27
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (2 Å)
Cite:The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
3OTR
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BU of 3otr by Molmil
2.75 Angstrom Crystal Structure of Enolase 1 from Toxoplasma gondii
Descriptor: CHLORIDE ION, Enolase, SULFATE ION
Authors:Minasov, G, Ruan, J, Shuvalova, L, Halavaty, A, Ngo, H, Tomavo, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-13
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The structure of bradyzoite-specific enolase from Toxoplasma gondii reveals insights into its dual cytoplasmic and nuclear functions.
Acta Crystallogr.,Sect.D, 71, 2015
2JVL
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BU of 2jvl by Molmil
NMR structure of the C-terminal domain of MBF1 of Trichoderma reesei
Descriptor: TrMBF1
Authors:Kopke Salinas, R, Tomaselli, S, Camilo, C.M, Valencia, E.Y, Farah, C.S, El-Dorry, H, Chambergo, F.S.
Deposit date:2007-09-20
Release date:2008-09-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of multiprotein bridging factor 1 (MBF1) of Trichoderma reesei.
Proteins, 75, 2009
1Z9B
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BU of 1z9b by Molmil
Solution structure of the C1-subdomain of Bacillus stearothermophilus translation initiation factor IF2
Descriptor: Translation initiation factor IF-2
Authors:Wienk, H, Tomaselli, S, Bernard, C, Spurio, R, Picone, D, Gualerzi, C.O, Boelens, R.
Deposit date:2005-04-01
Release date:2005-08-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the C1-subdomain of Bacillus stearothermophilus translation initiation factor IF2
Protein Sci., 14, 2005
5H23
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BU of 5h23 by Molmil
Crystal structure of Chikungunya virus capsid protein
Descriptor: 1,2-ETHANEDIOL, Capsid Protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Sharma, R, Kesari, P, Tomar, S, Kumar, P.
Deposit date:2016-10-14
Release date:2018-03-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket.
Virology, 515, 2018
5G4B
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BU of 5g4b by Molmil
Crystal structure of Aura virus capsid protein in complex with piperazine.
Descriptor: CAPSID PROTEIN, piperazine
Authors:Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2016-05-08
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of Capsid Protein from Aura Virus in Complex with Piperazine
To be Published
4AIB
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BU of 4aib by Molmil
Crystal Structure of Ornithine Decarboxylase from Entamoeba histolytica.
Descriptor: ORNITHINE DECARBOXYLASE
Authors:Preeti, P, Kumar, P, Tomar, S.
Deposit date:2012-02-09
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural Insight Into Dfmo Resistant Ornithine Decarboxylase from Entamoeba Histolytica: An Inkling to Adaptive Evolution.
Plos One, 8, 2013
2LKC
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BU of 2lkc by Molmil
Free B.st IF2-G2
Descriptor: Translation initiation factor IF-2
Authors:Wienk, H, Tishchenko, E, Belardinelli, R, Tomaselli, S, Dongre, R, Spurio, R, Folkers, G.E, Gualerzi, C.O, Boelens, R.
Deposit date:2011-10-10
Release date:2012-02-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Dynamics of Bacterial Translation Initiation Factor IF2.
J.Biol.Chem., 287, 2012
2LKD
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BU of 2lkd by Molmil
IF2-G2 GDP complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Translation initiation factor IF-2
Authors:Wienk, H, Tishchenko, E, Belardinelli, R, Tomaselli, S, Dongre, R, Spurio, R, Folkers, G.E, Gualerzi, C.O, Boelens, R.
Deposit date:2011-10-10
Release date:2012-02-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Dynamics of Bacterial Translation Initiation Factor IF2.
J.Biol.Chem., 287, 2012
3V3M
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BU of 3v3m by Molmil
Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide inhibitor.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
Authors:Jacobs, J, Grum-Tokars, V, Zhou, Y, Turlington, M, Saldanha, S.A, Chase, P, Eggler, A, Dawson, E.S, Baez-Santos, Y.M, Tomar, S, Mielech, A.M, Baker, S.C, Lindsley, C.W, Hodder, P, Mesecar, A, Stauffer, S.R.
Deposit date:2011-12-13
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease.
J.Med.Chem., 56, 2013
3ZQ7
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BU of 3zq7 by Molmil
The Structure of DNA-binding domain of response regulator from Escherichia coli K-12
Descriptor: KDP OPERON TRANSCRIPTIONAL REGULATORY PROTEIN KDPE
Authors:Patil, D.N, Tomar, S, Kumar, P.
Deposit date:2011-06-08
Release date:2012-03-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure-Function Studies of DNA Binding Domain of Response Regulator Kdpe Reveals Equal Affinity Interactions at DNA Half-Sites.
Plos One, 7, 2012
6XVW
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BU of 6xvw by Molmil
Catalytic domain of human PARP-1 in complex with the inhibitor MC2050
Descriptor: 1,2-ETHANEDIOL, 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one, NICKEL (II) ION, ...
Authors:Pfahler, J, Steegborn, C.
Deposit date:2020-01-22
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:From PARP1 to TNKS2 Inhibition: A Structure-Based Approach.
Acs Med.Chem.Lett., 11, 2020
2Z3Q
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BU of 2z3q by Molmil
Crystal structure of the IL-15/IL-15Ra complex
Descriptor: Interleukin-15, Interleukin-15 receptor alpha chain
Authors:Chirifu, M, Yamagata, Y, Davis, S.J, Ikemizu, S.
Deposit date:2007-06-05
Release date:2007-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the IL-15-IL-15Ralpha complex, a cytokine-receptor unit presented in trans
Nat.Immunol., 8, 2007
2Z3R
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BU of 2z3r by Molmil
Crystal structure of the IL-15/IL-15Ra complex
Descriptor: GLYCEROL, Interleukin-15, Interleukin-15 receptor alpha chain
Authors:Chirifu, M, Yamagata, Y, Davis, S.J, Ikemizu, S.
Deposit date:2007-06-05
Release date:2007-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the IL-15-IL-15Ralpha complex, a cytokine-receptor unit presented in trans
Nat.Immunol., 8, 2007

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數據於2024-07-10公開中

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