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3LKQ
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BU of 3lkq by Molmil
Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1977 strain
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K.
Deposit date:2010-01-27
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LI4
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Diisopropyl fluorophosphatase (DFPase), N120D,N175D,D229N mutant
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Chen, J.C.-H.
Deposit date:2010-01-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural characterization of the catalytic calcium-binding site in diisopropyl fluorophosphatase (DFPase)-Comparison with related beta-propeller enzymes.
Chem.Biol.Interact, 187, 2010
3L9J
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BU of 3l9j by Molmil
Selection of a novel highly specific TNFalpha antagonist: Insight from the crystal structure of the antagonist-TNFalpha complex
Descriptor: MAGNESIUM ION, TNFalpha, Tumor necrosis factor, ...
Authors:Byla, P, Andersen, M.H, Thogersen, H.C, Gad, H.H, Hartmann, R.
Deposit date:2010-01-05
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selection of a novel and highly specific TNF{alpha} antagonist: insight from the crystal structure of the antagonist-TNF{alpha} complex
J.Biol.Chem., 285, 2010
3LM1
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BU of 3lm1 by Molmil
Crystal Structure Analysis of Maclura pomifera agglutinin complex with p-nitrophenyl-GalNAc
Descriptor: 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Agglutinin alpha chain, Agglutinin beta-2 chain
Authors:Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M.
Deposit date:2010-01-29
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses.
Glycobiology, 20, 2010
3LMP
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BU of 3lmp by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2010-01-31
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
3LMZ
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BU of 3lmz by Molmil
Crystal structure of Putative sugar isomerase. (YP_001305105.1) from Parabacteroides distasonis ATCC 8503 at 1.44 A resolution
Descriptor: CITRIC ACID, DI(HYDROXYETHYL)ETHER, Putative sugar isomerase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-02-01
Release date:2010-02-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structure of Putative sugar isomerase. (YP_001305105.1) from Parabacteroides distasonis ATCC 8503 at 1.44 A resolution
To be published
3L5E
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BU of 3l5e by Molmil
Structure of BACE Bound to SCH736062
Descriptor: (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3LF1
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Apo structure of The Short Chain Oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1 Containing an Atypical Catalytic Center
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Short Chain Oxidoreductase Q9HYA2
Authors:Huether, R, Umland, T.C, Duax, W.L.
Deposit date:2010-01-15
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:The short-chain oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1 contains an atypical catalytic center.
Protein Sci., 19, 2010
3LGM
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Crystal structure of reduced IsdI in complex with heme
Descriptor: Heme-degrading monooxygenase isdI, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ukpabi, G.N, Murphy, M.E.P.
Deposit date:2010-01-20
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The IsdG-family of haem oxygenases degrades haem to a novel chromophore
Mol.Microbiol., 75, 2010
3LGR
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BU of 3lgr by Molmil
Xylanase II from Trichoderma reesei cocrystallized with tris-dipicolinate europium
Descriptor: EUROPIUM ION, Endo-1,4-beta-xylanase 2, PYRIDINE-2,6-DICARBOXYLIC ACID
Authors:Pompidor, G, Kahn, R, Maury, O.
Deposit date:2010-01-21
Release date:2011-01-19
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A dipicolinate lanthanide complex for solving protein structures using anomalous diffraction.
Acta Crystallogr.,Sect.D, 66, 2010
3L6X
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BU of 3l6x by Molmil
Crystal structure of p120 catenin in complex with E-cadherin
Descriptor: Catenin delta-1, E-cadherin, SULFATE ION
Authors:Ishiyama, N, Lee, S.-H, Liu, S, Li, G.-Y, Smith, M.J, Reichardt, L.F, Ikura, M.
Deposit date:2009-12-27
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dynamic and static interactions between p120 catenin and E-cadherin regulate the stability of cell-cell adhesion.
Cell(Cambridge,Mass.), 141, 2010
3L7A
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BU of 3l7a by Molmil
Crystal Structure of Glycogen Phosphorylase DK2 complex
Descriptor: 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form
Authors:Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D.
Deposit date:2009-12-28
Release date:2010-10-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.
Bioorg.Med.Chem., 18, 2010
3LI3
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BU of 3li3 by Molmil
Diisopropyl fluorophosphatase (DFPase), D121E mutant
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Chen, J.C.-H.
Deposit date:2010-01-24
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural characterization of the catalytic calcium-binding site in diisopropyl fluorophosphatase (DFPase)-Comparison with related beta-propeller enzymes.
Chem.Biol.Interact, 187, 2010
3LLE
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BU of 3lle by Molmil
X-ray structure of bovine SC0322,Ca(2+)-S100B
Descriptor: 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine, CALCIUM ION, Protein S100-B
Authors:Charpentier, T.H, Weber, D.J, Wilder, P.W.
Deposit date:2010-01-28
Release date:2010-12-29
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Int.J.High Throughput Screen, 2010, 2010
3LLO
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BU of 3llo by Molmil
Crystal structure of the STAS domain of motor protein prestin (anion transporter SLC26A5)
Descriptor: Prestin, octyl beta-D-glucopyranoside
Authors:Pasqualetto, E, Aiello, R, Bonetto, G, Battistutta, R.
Deposit date:2010-01-29
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure of the cytosolic portion of the motor protein prestin and functional role of the STAS domain in SLC26/SulP anion transporters.
J.Mol.Biol., 400, 2010
3LKN
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BU of 3lkn by Molmil
Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1918 strain
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K.
Deposit date:2010-01-27
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LKY
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BU of 3lky by Molmil
Monomeric Griffithsin with a Single Gly-Ser Insertion
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Griffithsin, ...
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
3L5I
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BU of 3l5i by Molmil
Crystal structure of FnIII domains of human GP130 (Domains 4-6)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta
Authors:Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E.
Deposit date:2009-12-22
Release date:2010-05-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
3LL2
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BU of 3ll2 by Molmil
Monomeric Griffithsin in Complex with a High-Mannose Branched Carbohydrate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Griffithsin, ...
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
3L5R
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BU of 3l5r by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution
Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3LLT
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BU of 3llt by Molmil
Crystal structure of PF14_0431, kinase domain.
Descriptor: ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Wernimont, A.K, Tempel, W, Lin, Y.H, Loppnau, P, MacKenzie, F, Sullivan, H, Weadge, J, Kozieradzki, I, Cossar, D, Sinesterra, G, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Hutchinson, A, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of PF14_0431, kinase domain.
TO BE PUBLISHED
3LMX
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BU of 3lmx by Molmil
Tyrosine 447 of Protocatechuate 34,-Dioxygenase Controls Efficient Progress Through Catalysis
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Purpero, V.M, Lipscomb, J.D, Shi, K.
Deposit date:2010-02-01
Release date:2011-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tyrosine 447 of Protocatechuate 34,-Dioxygenase Controls Efficient Progress Through Catalysis
To be Published
3LNQ
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BU of 3lnq by Molmil
Structure of Aristaless homeodomain in complex with DNA
Descriptor: 5'-D(*CP*CP*CP*TP*AP*AP*TP*TP*AP*AP*AP*CP*CP*C)-3', 5'-D(*GP*GP*GP*TP*TP*TP*AP*AP*TP*TP*AP*GP*GP*G)-3', ACETATE ION, ...
Authors:Takamura, Y, Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M.
Deposit date:2010-02-02
Release date:2010-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
3LA6
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BU of 3la6 by Molmil
Octameric kinase domain of the E. coli tyrosine kinase Wzc with bound ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Tyrosine-protein kinase wzc
Authors:Gruszczyk, J, Nessler, S, Gueguen-Chaignon, V, Vigouroux, A, Bechet, E, Grangeasse, C.
Deposit date:2010-01-06
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Identification of structural and molecular determinants of the tyrosine-kinase Wzc and implications in capsular polysaccharide export
Mol.Microbiol., 77, 2010
3LNX
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Second PDZ domain from human PTP1E
Descriptor: IODIDE ION, THIOCYANATE ION, Tyrosine-protein phosphatase non-receptor type 13
Authors:Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-02-03
Release date:2010-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E.
Biochemistry, 49, 2010

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