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3D5O
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BU of 3d5o by Molmil
Structural recognition and functional activation of FcrR by innate pentraxins
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low affinity immunoglobulin gamma Fc region receptor II-a, ...
Authors:Lu, J, Marnell, L.L, Marjon, K.D, Mold, C, Du Clos, T.W, Sun, P.D.
Deposit date:2008-05-16
Release date:2008-11-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural recognition and functional activation of FcgammaR by innate pentraxins.
Nature, 456, 2008
3D59
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BU of 3d59 by Molmil
Crystal structure of human plasma platelet activating factor acetylhydrolase
Descriptor: ACETATE ION, Platelet-activating factor acetylhydrolase, SULFATE ION
Authors:Samanta, U, Bahnson, B.J.
Deposit date:2008-05-16
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Human Plasma Platelet-activating Factor Acetylhydrolase: STRUCTURAL IMPLICATION TO LIPOPROTEIN BINDING AND CATALYSIS.
J.Biol.Chem., 283, 2008
2XVK
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BU of 2xvk by Molmil
crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus in complex with 5-fluoro-alpha-D-xylopyranosyl fluoride
Descriptor: (2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL, ALPHA-XYLOSIDASE, PUTATIVE, ...
Authors:Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H.
Deposit date:2010-10-26
Release date:2011-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification.
Biochem.J., 436, 2011
3D7P
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BU of 3d7p by Molmil
Crystal structure of human Transthyretin (TTR) at pH 4.0
Descriptor: Transthyretin
Authors:Palaninathan, S.K, Mohamedmohaideen, N.N, Snee, W.C, Kelly, J.W, Sacchettini, J.C.
Deposit date:2008-05-21
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural insight into pH-induced conformational changes within the native human transthyretin tetramer.
J.Mol.Biol., 382, 2008
3CKP
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BU of 3ckp by Molmil
Crystal structure of BACE-1 in complex with inhibitor
Descriptor: (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide, Beta-secretase 1, CHLORIDE ION
Authors:Min, K.
Deposit date:2008-03-16
Release date:2008-06-03
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives
Bioorg.Med.Chem.Lett., 18, 2008
3CM2
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BU of 3cm2 by Molmil
Crystal Structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac010
Descriptor: (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION
Authors:Cossu, F, Mastrangelo, E, Milani, M.
Deposit date:2008-03-20
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.
J.Mol.Biol., 384, 2008
3COK
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BU of 3cok by Molmil
Crystal structure of PLK4 kinase
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, Serine/threonine-protein kinase PLK4
Authors:Atwell, S, Burley, S.K, Houle, A, Leon, B, Pelletier, L.A, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-28
Release date:2008-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of PLK4 kinase.
To be Published
3CPL
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BU of 3cpl by Molmil
Crystal Structure of H-2Db in complex with a variant M6A of the NP366 peptide from influenza A virus
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Kedzierska, K, Guillonneau, C, Hatton, L.A, Stockwell, D, Gras, S, Webby, R, Rossjohn, J, Purcell, A.W, Doherty, P.C, Turner, S.J.
Deposit date:2008-03-31
Release date:2008-11-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Complete modification of TCR specificity and repertoire selection does not perturb a CD8+ T cell immunodominance hierarchy.
Proc.Natl.Acad.Sci.USA, 105, 2008
3KFJ
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BU of 3kfj by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a Flexible Ac-pY-E-N-NH2 Tripeptide Mimic
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 2, MAGNESIUM ION, ...
Authors:Clements, J.H.
Deposit date:2009-10-27
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization.
J.Am.Chem.Soc., 131, 2009
3CS9
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BU of 3cs9 by Molmil
Human ABL kinase in complex with nilotinib
Descriptor: Nilotinib, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Manley, P, Liebetanz, J, Fabbro, D.
Deposit date:2008-04-09
Release date:2008-04-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl
Cancer Cell, 7, 2005
3CTQ
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BU of 3ctq by Molmil
Structure of MAP kinase p38 in complex with a 1-o-tolyl-1,2,3-triazole-4-carboxamide
Descriptor: Mitogen-activated protein kinase 14, N-benzyl-1-[5-({5-tert-butyl-2-methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)-2-methylphenyl]-1H-1,2,3-triazole-4-carboxamide
Authors:Qian, K.
Deposit date:2008-04-14
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 18, 2008
3D06
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BU of 3d06 by Molmil
Human p53 core domain with hot spot mutation R249S (I)
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Rozenberg, H, Suad, O, Shimon, L.J.W, Frolow, F, Shakked, Z.
Deposit date:2008-05-01
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations
J.Mol.Biol., 385, 2009
3B6S
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BU of 3b6s by Molmil
Crystal Structure of hla-b*2705 Complexed with the Citrullinated Vasoactive Intestinal Peptide Type 1 Receptor (vipr) Peptide (residues 400-408)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Beltrami, A, Rossmann, M, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, A.
Deposit date:2007-10-29
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Citrullination-dependent Differential Presentation of a Self-peptide by HLA-B27 Subtypes.
J.Biol.Chem., 283, 2008
2XBJ
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BU of 2xbj by Molmil
Crystal Structure of Chk2 in complex with an inhibitor
Descriptor: 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, NITRATE ION, ...
Authors:Anderson, V.E, Walton, M.I, Eve, P.D, Caldwell, J.J, Pearl, L.H, Oliver, A.W, Collins, I, Garrett, M.D.
Deposit date:2010-04-12
Release date:2011-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
3B9U
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BU of 3b9u by Molmil
Crystal structure of L26N/D28N/H93G mutant of Human acidic fibroblast growth factor
Descriptor: Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2007-11-06
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
3KWB
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BU of 3kwb by Molmil
Structure of CatK covalently bound to a dioxo-triazine inhibitor
Descriptor: 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, Cathepsin K
Authors:Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-01
Release date:2010-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Dioxo-triazines as a novel series of cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3BA4
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BU of 3ba4 by Molmil
Crystal structure of L26D mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2007-11-07
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
3BAH
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BU of 3bah by Molmil
Crystal structure of K112N mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1
Authors:Lee, J, Blaber, M.
Deposit date:2007-11-07
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
2XBS
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BU of 2xbs by Molmil
Raman crystallography of Hen White Egg Lysozyme - High X-ray dose (16 MGy)
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Carpentier, P, Royant, A, Weik, M, Bourgeois, D.
Deposit date:2010-04-14
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation
Structure, 18, 2010
3BAO
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BU of 3bao by Molmil
Crystal structure of L26N mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Lee, J, Blaber, M.
Deposit date:2007-11-08
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
3BDX
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BU of 3bdx by Molmil
Crystal structure of the unstable and highly fibrillogenic Pro7Ser mutant of the Recombinant variable domain 6AJL2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Amyloid lambda 6 light chain variable region PIP (fragment), ...
Authors:Hernandez-Santoyo, A, Fuentes-Silva, D, Del Pozo Yauner, L, Becerril, B, Rodriguez-Romero, A.
Deposit date:2007-11-15
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A single mutation at the sheet switch region results in conformational changes favoring lambda6 light-chain fibrillogenesis.
J.Mol.Biol., 396, 2010
3KRD
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BU of 3krd by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with Fellutamide B
Descriptor: (3R)-3-HYDROXYDODECANOIC ACID, Fellutamide B, Proteasome subunit alpha, ...
Authors:Li, D, Li, H.
Deposit date:2009-11-18
Release date:2010-09-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fellutamide B is a potent inhibitor of the Mycobacterium tuberculosis proteasome.
Arch.Biochem.Biophys., 501, 2010
3BH9
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BU of 3bh9 by Molmil
Crystal Structure of RTY Phosphopeptide Bound to Human Class I MHC HLA-A2
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E.
Deposit date:2007-11-28
Release date:2008-10-21
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008
3BHI
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BU of 3bhi by Molmil
Crystal structure of human Carbonyl Reductase 1 in complex with NADP
Descriptor: CHLORIDE ION, Carbonyl reductase [NADPH] 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rauh, D, Bateman, R.L, Shokat, K.M.
Deposit date:2007-11-28
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Human carbonyl reductase 1 is an s-nitrosoglutathione reductase
J.Biol.Chem., 283, 2008
3KFQ
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BU of 3kfq by Molmil
Unreduced cathepsin V in complex with stefin A
Descriptor: Cathepsin L2, Cystatin-A
Authors:Renko, M, Turk, D.
Deposit date:2009-10-27
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Unreduced cathepsin V in complex with stefin A
To be Published

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