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3V5J
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BU of 3v5j by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
Descriptor: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-16
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V5P
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BU of 3v5p by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
Descriptor: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V60
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Structure of S. cerevisiae PCNA conjugated to SUMO on lysine 164
Descriptor: Proliferating cell nuclear antigen, SULFATE ION, Ubiquitin-like protein SMT3
Authors:Armstrong, A.A, Mohideen, F, Lima, C.D.
Deposit date:2011-12-18
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Recognition of SUMO-modified PCNA requires tandem receptor motifs in Srs2.
Nature, 483, 2012
3EM3
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BU of 3em3 by Molmil
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
Descriptor: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
Deposit date:2008-09-23
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
To be Published
2OH7
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BU of 2oh7 by Molmil
The Crystal Structure of Cypovirus Polyhedra containing the Human ZIP-kinase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Coulibaly, F, Chiu, E, Ikeda, K, Gutmann, S, Haebel, P.W, Schulze-Briese, C, Mori, H, Metcalf, P.
Deposit date:2007-01-09
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The molecular organization of cypovirus polyhedra.
Nature, 446, 2007
3TLC
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BU of 3tlc by Molmil
Microcin C7 self immunity protein MccF in complex with Microcin C7 antibiotic
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine, MccF
Authors:Agarwal, V, Nair, S.K.
Deposit date:2011-08-29
Release date:2012-02-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure and function of a serine carboxypeptidase adapted for degradation of the protein synthesis antibiotic microcin C7.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UO2
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BU of 3uo2 by Molmil
Jac1 co-chaperone from Saccharomyces cerevisiae
Descriptor: J-type co-chaperone JAC1, mitochondrial
Authors:Osipiuk, J, Mulligan, R, Bigelow, L, Marszalek, J, Craig, E.A, Dutkiewicz, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-11-16
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Interaction of j-protein co-chaperone jac1 with fe-s scaffold isu is indispensable in vivo and conserved in evolution.
J.Mol.Biol., 417, 2012
3EP5
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BU of 3ep5 by Molmil
Human AdoMetDC E178Q mutant with no putrescine bound
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ...
Authors:Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E.
Deposit date:2008-09-29
Release date:2008-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase.
Biochemistry, 47, 2008
3EE9
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BU of 3ee9 by Molmil
Structure of NS1 effector domain
Descriptor: Non-structural protein 1, SULFATE ION
Authors:Xia, S, Monzingo, A.F, Robertus, J.D.
Deposit date:2008-09-04
Release date:2009-01-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of NS1A effector domain from the influenza A/Udorn/72 virus.
Acta Crystallogr.,Sect.D, 65, 2009
3UO8
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BU of 3uo8 by Molmil
Crystal structure of the MALT1 paracaspase (P1 form)
Descriptor: Mucosa-associated lymphoid tissue lymphoma translocation protein 1, Z-Val-Arg-Pro-DL-Arg-fluoromethylketone
Authors:Jeffrey, P.D, Yu, J.W, Shi, Y.
Deposit date:2011-11-16
Release date:2011-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the mucosa-associated lymphoid tissue lymphoma translocation 1 (MALT1) paracaspase region.
Proc.Natl.Acad.Sci.USA, 108, 2011
2NRH
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BU of 2nrh by Molmil
Crystal structure of conserved putative Baf family transcriptional activator from Campylobacter jejuni
Descriptor: SULFATE ION, Transcriptional activator, putative, ...
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-11-02
Release date:2006-11-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of conserved putative Baf family transcriptional activator from Campylobacter jejuni
To be Published
3UOP
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BU of 3uop by Molmil
Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
Descriptor: CALCIUM ION, CHLORIDE ION, Cationic trypsin, ...
Authors:Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
Deposit date:2011-11-17
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
3EF5
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BU of 3ef5 by Molmil
Structure of the RNA pyrophosphohydrolase BdRppH in complex with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Probable pyrophosphohydrolase
Authors:Messing, S.A, Gabelli, S.B, Amzel, L.M.
Deposit date:2008-09-08
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Biological Function of the RNA Pyrophosphohydrolase BdRppH from Bdellovibrio bacteriovorus.
Structure, 17, 2009
2NT1
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BU of 2nt1 by Molmil
Structure of acid-beta-glucosidase at neutral pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION
Authors:Lieberman, R.L, Petsko, G.A, Ringe, D.
Deposit date:2006-11-06
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease.
Nat.Chem.Biol., 3, 2007
2NR4
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BU of 2nr4 by Molmil
Crystal structure of FMN-bound protein MM1853 from Methanosarcina mazei, Pfam DUF447
Descriptor: Conserved hypothetical protein, FLAVIN MONONUCLEOTIDE
Authors:Bonanno, J.B, Gilmore, J, Bain, K.T, Lau, C, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-11-01
Release date:2006-11-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of conserved FMN bound hypothetical protein from Methanosarcina mazei
To be Published
3EGW
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BU of 3egw by Molmil
The crystal structure of the NarGHI mutant NarH - C16A
Descriptor: (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ...
Authors:Bertero, M.G, Rothery, R.A, Weiner, J.H, Strynadka, N.C.J.
Deposit date:2008-09-11
Release date:2010-03-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:When width is more important than height: Barriers to electron transfer in E.coli nitrate reductase
To be Published
2NRT
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BU of 2nrt by Molmil
Crystal structure of the C-terminal half of UvrC
Descriptor: CHLORIDE ION, UvrABC system protein C
Authors:Karakas, E, Truglio, J.J, Kisker, C.
Deposit date:2006-11-02
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
3TQL
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BU of 3tql by Molmil
Structure of the amino acid ABC transporter, periplasmic amino acid-binding protein from Coxiella burnetii.
Descriptor: ARGININE, Arginine-binding protein, IMIDAZOLE
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-10-05
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3ETE
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BU of 3ete by Molmil
Crystal structure of bovine glutamate dehydrogenase complexed with hexachlorophene
Descriptor: 2,2'-methanediylbis(3,4,6-trichlorophenol), GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Li, M, Smith, T.J.
Deposit date:2008-10-07
Release date:2009-06-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Novel Inhibitors Complexed with Glutamate Dehydrogenase: ALLOSTERIC REGULATION BY CONTROL OF PROTEIN DYNAMICS
J.Biol.Chem., 284, 2009
2NS8
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BU of 2ns8 by Molmil
How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET repressor
Descriptor: 16 residue peptide Tip (Transcription inducing peptide), Tetracycline repressor protein
Authors:Luckner, S.R, Klotzsche, M, Berens, C, Hillen, W, Muller, Y.A.
Deposit date:2006-11-03
Release date:2007-07-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:How an agonist peptide mimics the antibiotic tetracycline to induce Tet-repressor
J.Mol.Biol., 368, 2007
3EJ5
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BU of 3ej5 by Molmil
complex of Ricin A chain and pyrimidine-based inhibitor
Descriptor: 4-[3-(2-amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)propyl]benzoic acid, Ricin A chain
Authors:Bai, Y, Monzingo, A.F, Robertus, J.D.
Deposit date:2008-09-17
Release date:2009-04-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The X-ray structure of ricin A chain with a novel inhibitor
Arch.Biochem.Biophys., 483, 2009
3EJG
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BU of 3ejg by Molmil
Crystal structure of HCoV-229E X-domain
Descriptor: Non-structural protein 3
Authors:Piotrowski, Y, Hansen, G, Hilgenfeld, R.
Deposit date:2008-09-18
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
3EV0
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BU of 3ev0 by Molmil
Crystal Structure of Ribonuclease A in 70% Dimethyl Sulfoxide
Descriptor: DIMETHYL SULFOXIDE, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EJU
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BU of 3eju by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5S)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-swainsonine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Shea, K, Rose, D.R.
Deposit date:2008-09-18
Release date:2009-10-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
2NXQ
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BU of 2nxq by Molmil
Crystal structure of calcium binding protein 1 from Entamoeba histolytica: a novel arrangement of EF hand motifs
Descriptor: ACETATE ION, CALCIUM ION, Calcium-binding protein
Authors:Kumar, S, Padhan, N, Alam, N, Gourinath, S.
Deposit date:2006-11-18
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of calcium binding protein-1 from Entamoeba histolytica: A novel arrangement of EF hand motifs.
Proteins, 68, 2007

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