3TTV
 
 | | Structure of the F413E variant of E. coli KatE | | Descriptor: | Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Loewen, P.C, Jha, V. | | Deposit date: | 2011-09-15 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Mutation of Phe413 to Tyr in catalase KatE from Escherichia coli leads to side chain damage and main chain cleavage.
Arch.Biochem.Biophys., 525, 2012
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3WNW
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3H1O
 | | The Structure of Fluorescent Protein FP480 | | Descriptor: | Fluorescent protein FP480, GLYCEROL | | Authors: | Pletnev, S, Morozova, K.S, Verkhusha, V.V, Dauter, Z. | | Deposit date: | 2009-04-13 | | Release date: | 2009-09-08 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rotational order-disorder structure of fluorescent protein FP480
Acta Crystallogr.,Sect.D, 65, 2009
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3H20
 | | Crystal structure of primase RepB' | | Descriptor: | DIPHOSPHATE, Replication protein B, SULFATE ION | | Authors: | Geibel, S, Banchenko, S, Engel, M, Lanka, E, Saenger, W. | | Deposit date: | 2009-04-14 | | Release date: | 2009-04-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure and function of primase RepB' encoded by broad-host-range plasmid RSF1010 that replicates exclusively in leading-strand mode
Proc.Natl.Acad.Sci.USA, 106, 2009
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3TUJ
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3H65
 | | The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme in Complex with Methylenetetrahydromethanopterin | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, ... | | Authors: | Hiromoto, T, Warkentin, E, Shima, S, Ermler, U. | | Deposit date: | 2009-04-23 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The crystal structure of an [Fe]-hydrogenase-substrate complex reveals the framework for H2 activation.
Angew.Chem.Int.Ed.Engl., 48, 2009
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2QKY
 | | complex structure of dipeptidyl peptidase IV and a oxadiazolyl ketone | | Descriptor: | 2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol, Dipeptidyl peptidase 4 (EC 3.4.14.5) (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP) (Dipeptidyl peptidase 4 soluble form) (Dipeptidyl peptidase IV soluble form) | | Authors: | Kim, K.-H, Hong, S.Y, Koo, K.D, Lee, C.-S, Kim, G.T, Han, H.O. | | Deposit date: | 2007-07-12 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Synthesis, SAR, and X-ray structure of novel potent DPPIV inhibitors: oxadiazolyl ketones.
Bioorg.Med.Chem.Lett., 17, 2007
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2QMD
 | | Structure of BACE Bound to SCH722924 | | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | | Authors: | Strickland, C.O, Iserloh, U. | | Deposit date: | 2007-07-16 | | Release date: | 2008-03-11 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Potent pyrrolidine- and piperidine-based BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3TY0
 | | Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione | | Descriptor: | (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | Authors: | Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W. | | Deposit date: | 2011-09-23 | | Release date: | 2011-11-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
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3WRL
 | | Crystal structure of P450cam | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Kishimoto, A, Takagi, K, Amano, A, Sakurai, K, Mizushima, T, Shimada, H. | | Deposit date: | 2014-02-25 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of P450cam intermedite
To be published
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2QQ7
 | | Crystal structure of drug resistant SRC kinase domain with irreversible inhibitor | | Descriptor: | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Michalczyk, A, Rode, H.B, Gruetter, C, Rauh, D. | | Deposit date: | 2007-07-26 | | Release date: | 2008-03-11 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.
Bioorg.Med.Chem., 16, 2008
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2QQL
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2OW9
 | | Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor | | Descriptor: | ACETOHYDROXAMIC ACID, BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE, CALCIUM ION, ... | | Authors: | Pavlovsky, A.G. | | Deposit date: | 2007-02-15 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282, 2007
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2OWO
 | | Last Stop on the Road to Repair: Structure of E.coli DNA Ligase Bound to Nicked DNA-Adenylate | | Descriptor: | 26-MER, 5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*C)-3', 5'-D(*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*G)-3', ... | | Authors: | Shuman, S, Nandakumar, J, Nair, P.A. | | Deposit date: | 2007-02-16 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Last Stop on the Road to Repair: Structure of E. coli DNA Ligase Bound to Nicked DNA-Adenylate.
Mol.Cell, 26, 2007
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2OX5
 | | The SoxYZ complex of Paracoccus pantotrophus | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | | Authors: | Bruno, S, Sauve, V, Berks, B.C, Hemmings, A.M. | | Deposit date: | 2007-02-19 | | Release date: | 2007-05-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The SoxYZ Complex Carries Sulfur Cycle Intermediates on a Peptide Swinging Arm.
J.Biol.Chem., 282, 2007
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3H9G
 | | Crystal structure of E. coli MccB + MccA-N7isoASN | | Descriptor: | MccB protein, Microcin C7 analog, SULFATE ION, ... | | Authors: | Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A. | | Deposit date: | 2009-04-30 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
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3W2Y
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3WV1
 | | Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid | | Descriptor: | 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | | Authors: | Oki, H, Tanaka, Y. | | Deposit date: | 2014-05-12 | | Release date: | 2015-05-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach
J.Med.Chem., 57, 2014
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3U0V
 | | Crystal Structure Analysis of human LYPLAL1 | | Descriptor: | Lysophospholipase-like protein 1 | | Authors: | Burger, M, Zimmermann, T.J, Kondoh, Y, Stege, P, Watanabe, N, Osada, H, Waldmann, H, Vetter, I.R. | | Deposit date: | 2011-09-29 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structure of the predicted phospholipase LYPLAL1 reveals unexpected functional plasticity despite close relationship to acyl protein thioesterases
J.Lipid Res., 53, 2012
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3WVB
 | | HcgF from Methanocaldococcus jannaschii | | Descriptor: | UPF0254 protein MJ1251 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2014-05-16 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
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2P2V
 | | Crystal structure analysis of monofunctional alpha-2,3-sialyltransferase Cst-I from Campylobacter jejuni | | Descriptor: | 1,2-ETHANEDIOL, Alpha-2,3-sialyltransferase, CHLORIDE ION, ... | | Authors: | Chiu, C.P, Lairson, L.L, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C. | | Deposit date: | 2007-03-07 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Analysis of the alpha-2,3-Sialyltransferase Cst-I from Campylobacter jejuni in Apo and Substrate-Analogue Bound Forms.
Biochemistry, 46, 2007
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3U5W
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2P3H
 | | Crystal structure of the CorC_HlyC domain of a putative Corynebacterium glutamicum hemolysin | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Uncharacterized CBS domain-containing protein | | Authors: | Cuff, M.E, Volkart, L, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the CorC_HlyC domain of a putative Corynebacterium glutamicum hemolysin.
TO BE PUBLISHED
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3W57
 | | Structure of a C2 domain | | Descriptor: | C2 domain protein, CALCIUM ION | | Authors: | Traore, D.A.K, Whisstock, J.C. | | Deposit date: | 2013-01-24 | | Release date: | 2013-10-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | Defining the interaction of perforin with calcium and the phospholipid membrane.
Biochem.J., 456, 2013
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3W6F
 | | Crystal structure of catalytic domain of chitinase from Ralstonia sp. A-471 (E162Q) in complex with disaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme-like chitinolytic enzyme | | Authors: | Arimori, T, Kawamoto, N, Okazaki, N, Nakazawa, M, Miyatake, K, Fukamizo, T, Ueda, M, Tamada, T. | | Deposit date: | 2013-02-14 | | Release date: | 2013-05-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of the Catalytic Domain of a Novel Glycohydrolase Family 23 Chitinase from Ralstonia sp. A-471 Reveals a Unique Arrangement of the Catalytic Residues for Inverting Chitin Hydrolysis
J.Biol.Chem., 288, 2013
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