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3E91
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Crystal structure of SARS-CoV Mpro mutant in P21 at pH6.9
Descriptor: 3C-like proteinase
Authors:Shi, J.H, Jayaraman, S, Song, J.X.
Deposit date:2008-08-21
Release date:2009-08-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural analysis of the activity-enhanced SARS-CoV Mpro C-terminal mutant
To be Published
3E2M
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BU of 3e2m by Molmil
LFA-1 I domain bound to inhibitors
Descriptor: Integrin alpha-L, cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid
Authors:Silvian, L.F.
Deposit date:2008-08-05
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3E2S
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Crystal Structure Reduced PutA86-630 Mutant Y540S Complexed with L-proline
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, PROLINE, ...
Authors:Tanner, J.J.
Deposit date:2008-08-06
Release date:2009-02-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:A conserved active site tyrosine residue of proline dehydrogenase helps enforce the preference for proline over hydroxyproline as the substrate.
Biochemistry, 48, 2009
3E3A
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BU of 3e3a by Molmil
The Structure of Rv0554 from Mycobacterium tuberculosis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, POSSIBLE PEROXIDASE BPOC
Authors:Johnston, J.M, Baker, E.N.
Deposit date:2008-08-06
Release date:2009-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
3E3Q
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BU of 3e3q by Molmil
Structure of the 3alpham13 high-affinity mutant of the 2C TCR in complex with Ld/QL9
Descriptor: H-2 class I histocompatibility antigen, L-D alpha chain, QL9 peptide, ...
Authors:Colf, L.A, Garcia, K.C.
Deposit date:2008-08-07
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Distinct CDR3 conformations in TCRs determine the level of cross-reactivity for diverse antigens, but not the docking orientation.
J.Immunol., 181, 2008
3EBG
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Structure of the M1 Alanylaminopeptidase from malaria
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:McGowan, S, Porter, C.J, Buckle, A.M, Whisstock, J.C.
Deposit date:2008-08-27
Release date:2009-01-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the inhibition of the essential Plasmodium falciparum M1 neutral aminopeptidase
Proc.Natl.Acad.Sci.USA, 106, 2009
3E5R
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BU of 3e5r by Molmil
Crystal structure and Functional Analysis of Glyceraldehyde-3-phosphate Dehydrogenase from Oryza Sativa
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, cytosolic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tien, Y.C, Lin, Y.H, Chang, S.L, Chen, C.J.
Deposit date:2008-08-14
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and Functional Analysis of Glyceraldehyde-3-phosphate Dehydrogenase from Oryza Sativa
To be published
3EF6
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Crystal structure of Toluene 2,3-Dioxygenase Reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
Authors:Friemann, R, Lee, K, Brown, E.N, Gibson, D.T, Eklund, H, Ramaswamy, S.
Deposit date:2008-09-08
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the multicomponent Rieske non-heme iron toluene 2,3-dioxygenase enzyme system
Acta Crystallogr.,Sect.D, 65, 2009
3EFG
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Structure of SlyX protein from Xanthomonas campestris pv. campestris str. ATCC 33913
Descriptor: 1,2-ETHANEDIOL, Protein slyX homolog
Authors:Cuff, M.E, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-09-08
Release date:2008-12-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of SlyX protein from Xanthomonas campestris pv. campestris str. ATCC 33913
TO BE PUBLISHED
3E73
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Crystal Structure of Human LanCL1 complexed with GSH
Descriptor: GLUTATHIONE, LanC-like protein 1, ZINC ION
Authors:Zhang, W, Zhu, G, Li, X, Rao, Z, Zhang, C.
Deposit date:2008-08-17
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione
Genes Dev., 23, 2009
3E8D
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BU of 3e8d by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3EHR
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Crystal Structure of Human Osteoclast Stimulating Factor
Descriptor: Osteoclast-stimulating factor 1
Authors:Tong, S, Zhou, H, Gao, Y, Zhu, Z, Zhang, X, Teng, M, Niu, L.
Deposit date:2008-09-14
Release date:2009-08-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human osteoclast stimulating factor
Proteins, 75, 2009
3EIK
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double stranded DNA binding protein
Descriptor: 1,2-ETHANEDIOL, TATA-box-binding protein
Authors:Cui, S, Wollmann, P, Moldt, M, Hopfner, K.-P.
Deposit date:2008-09-16
Release date:2009-09-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:structural studies of ecTBP
To be Published
3E94
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BU of 3e94 by Molmil
Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment
Descriptor: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ...
Authors:Bourguet, W, Le Maire, A.
Deposit date:2008-08-21
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activation of RXR-PPAR heterodimers by organotin environmental endocrine disruptors
Embo Rep., 10, 2009
3EJQ
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BU of 3ejq by Molmil
Golgi alpha-Mannosidase II in complex with 5-substitued swainsonine analog: (5R)-5-[2'-oxo-2'-(4-methylphenyl)ethyl]-swainsonine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-methylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-09-18
Release date:2009-10-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
3EA9
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Crystal structure of SARS-CoV main protease quadruple mutant STIF/A with one molecule in one asymmetric unit
Descriptor: 3C-like proteinase
Authors:Shi, J.H, Jayaraman, S, Song, J.X.
Deposit date:2008-08-25
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:crystal structure of SARS-CoV Mpro quadruple mutant
To be Published
3EKW
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Crystal structure of the inhibitor Atazanavir (ATV) in complex with a multi-drug resistance HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) Refer: FLAP+ in citation.
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N.M, Bandaranayake, R.M.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EAY
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BU of 3eay by Molmil
Crystal structure of the human SENP7 catalytic domain
Descriptor: SULFATE ION, Sentrin-specific protease 7
Authors:Lima, C.D, Reverter, D.
Deposit date:2008-08-26
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Human SENP7 Catalytic Domain and Poly-SUMO Deconjugation Activities for SENP6 and SENP7.
J.Biol.Chem., 283, 2008
3EB5
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BU of 3eb5 by Molmil
Structure of the cIAP2 RING domain
Descriptor: Baculoviral IAP repeat-containing protein 3, SODIUM ION, ZINC ION
Authors:Mace, P.D, Linke, K, Smith, C.A, Day, C.L.
Deposit date:2008-08-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the cIAP2 RING domain reveal conformational changes associated with ubiquitin-conjugating enzyme (E2) recruitment.
J.Biol.Chem., 283, 2008
3DJH
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BU of 3djh by Molmil
Macrophage Migration Inhibitory Factor (MIF) at 1.25 A Resolution
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Crichlow, G.V, Lolis, E.
Deposit date:2008-06-23
Release date:2008-12-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural and kinetic analyses of macrophage migration inhibitory factor active site interactions.
Biochemistry, 48, 2009
3DOJ
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BU of 3doj by Molmil
Structure of Glyoxylate reductase 1 from Arabidopsis (AtGLYR1)
Descriptor: CHLORIDE ION, Dehydrogenase-like protein
Authors:Jorgensen, R.
Deposit date:2008-07-04
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Cytosolic NADPH-dependent Glyoxylate Reductase from Arabidopsis: Crystal Structure and Kinetic Characterization of Active Site Mutants
To be Published
3DOW
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Complex structure of GABA type A receptor associated protein and its binding epitope on calreticulin
Descriptor: CRT peptide, Gamma-aminobutyric acid receptor-associated protein, ZINC ION
Authors:Thielmann, Y, Weiergraeber, O.H, Willbold, D.
Deposit date:2008-07-07
Release date:2009-02-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural framework of the GABARAP-calreticulin interface - implications for substrate binding to endoplasmic reticulum chaperones.
Febs J., 276, 2009
3DP3
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Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DPQ
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Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form B)
Descriptor: Chaperone protein dnaK, SULFATE ION, inhibitor peptide
Authors:Roujeinikova, A.
Deposit date:2008-07-09
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric coupling between the lid and interdomain linker in DnaK revealed by inhibitor binding studies.
J.Bacteriol., 191, 2009
3DQG
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Peptide-binding domain of heat shock 70 kDa protein F, mitochondrial precursor, from Caenorhabditis elegans.
Descriptor: Heat shock 70 kDa protein F
Authors:Osipiuk, J, Mulligan, R, Gu, M, Voisine, C, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-07-09
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:X-ray crystal structure of peptide-binding domain of heat shock 70 kDa protein F, mitochondrial precursor, from Caenorhabditis elegans.
To be Published

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