Author results

1OGF
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THE STRUCTURE OF BACILLUS SUBTILIS RBSD COMPLEXED WITH GLYCEROL
Descriptor:HIGH AFFINITY RIBOSE TRANSPORT PROTEIN RBSD, GLYCEROL, CHLORIDE ION
Authors:Kim, M.-S., Oh, B.-H.
Deposit date:2003-04-30
Release date:2003-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Rbsd Leading to the Identification of Cytoplasmic Sugar-Binding Proteins with a Novel Folding Architecture
J.Biol.Chem., 278, 2003
1QJG
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CRYSTAL STRUCTURE OF DELTA5-3-KETOSTEROID ISOMERASE FROM PSEUDOMONAS TESTOSTERONI IN COMPLEX WITH EQUILENIN
Descriptor:KETOSTEROID ISOMERASE, EQUILENIN, SULFATE ION
Authors:Cho, H.-S., Oh, B.-H.
Deposit date:1999-06-24
Release date:1999-11-16
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Delta-5-3-Ketosteroid Isomerase from Pseudomonas Testosteroni in Complex with Equilenin Settles the Correct Hydrogen Scheme for Transition-State Stabilization
J.Biol.Chem., 274, 1999
1YDE
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CRYSTAL STRUCTURE OF HUMAN RETINAL SHORT-CHAIN DEHYDROGENASE/REDUCTASE 3
Descriptor:Retinal dehydrogenase/reductase 3
Authors:Lukacik, P., Bunkozci, G., Kavanagh, K., Sundstrom, M., Arrowsmith, C., Edwards, A., von Delft, F., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2004-12-23
Release date:2005-01-18
Last modified:2012-03-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biochemical characterization of human orphan DHRS10 reveals a novel cytosolic enzyme with steroid dehydrogenase activity.
Biochem.J., 402, 2007
1YLA
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UBIQUITIN-CONJUGATING ENZYME E2-25 KDA (HUNTINGTON INTERACTING PROTEIN 2)
Descriptor:Ubiquitin-conjugating enzyme E2-25 kDa
Authors:Choe, J., Avvakumov, G.V., Newman, E.M., Mackenzie, F., Kozieradzki, I., Bochkarev, A., Sundstrom, M., Arrowsmith, C., Edwards, A., Dhe-paganon, S., Structural Genomics Consortium (SGC)
Deposit date:2005-01-19
Release date:2005-02-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of E2-25K/UBB+1 interaction leading to proteasome inhibition and neurotoxicity
J.Biol.Chem., 285, 2010
2MPV
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STRUCTURAL INSIGHT INTO HOST RECOGNITION AND BIOFILM FORMATION BY AGGREGATIVE ADHERENCE FIMBRIAE OF ENTEROAGGREGATIVE ESHERICHIA COLI
Descriptor:Major fimbrial subunit of aggregative adherence fimbria II AafA
Authors:Matthews, S.J., Yang, Y., Berry, A.A., Pakharukova, N., Garnett, J.A., Lee, W., Cota, E., Liu, B., Roy, S., Tuittila, M., Marchant, J., Inman, K.G., Ruiz-Perez, F., Mandomando, I., Nataro, J.P., Zavialov, A.V.
Deposit date:2014-06-04
Release date:2014-10-29
Method:SOLUTION NMR
Cite:Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
4MLE
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HUMAN GLUCOKINASE IN COMPLEX WITH NOVEL AMINO THIAZOLE ACTIVATOR
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
4MLH
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HUMAN GLUCOKINASE IN COMPLEX WITH A NOVEL AMINO THIAZOLE ALLOSTERIC ACTIVATOR
Descriptor:Glucokinase, ALPHA-D-GLUCOSE, 3-(benzyloxy)-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine
Authors:Voegtli, W.C.
Deposit date:2013-09-06
Release date:2013-09-25
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a New Class of Glucokinase Activators through Structure-Based Design.
J.Med.Chem., 56, 2013
5DEY
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CRYSTAL STRUCTURE OF PAK1 IN COMPLEX WITH AN INHIBITOR COMPOUND G-5555
Descriptor:Serine/threonine-protein kinase PAK 1, 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Oh, A., Tam, C., Wang, W.
Deposit date:2015-08-26
Release date:2016-01-27
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5DFP
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CRYSTAL STRUCTURE OF PAK1 IN COMPLEX WITH AN INHIBITOR COMPOUND FRAX1036
Descriptor:Serine/threonine-protein kinase PAK 1, 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE
Authors:Maksimoska, J., Marmorstein, R., Wang, W.
Deposit date:2015-08-27
Release date:2016-01-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5IME
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CRYSTAL STRUCTURE OF P21-ACTIVATED KINASE 1 (PAK1) IN COMPLEX WITH COMPOUND 9
Descriptor:Serine/threonine-protein kinase PAK 1, 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Li, D., Wang, W.
Deposit date:2016-03-06
Release date:2016-05-25
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.217 Å)
Cite:Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
5W5Q
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MAP4K4 IN COMPLEX WITH INHIBITOR COMPOUND 12 (N3-METHYL-10-(3-METHYL-3-(5-METHYLOXAZOL-2-YL)BUT-1-YN-1-YL)-6,7-DIHYDRO-5H-5,7-METHANOBENZO[C]IMIDAZO[1,2-A]AZEPINE-2,3-DICARBOXAMIDE)
Descriptor:Mitogen-activated protein kinase kinase kinase kinase 4, (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
Authors:Harris, S.F., Wu, P.
Deposit date:2017-06-15
Release date:2018-06-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure Based Design of Potent, Selective Inhibitors of Protein Kinase D1
To Be Published
6G4Y
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CRYSTAL STRUCTURE OF MURINE NF-KAPPAB INDUCING KINASE (NIK) IN COMPLEX WITH COMPOUND 1A
Descriptor:Mitogen-activated protein kinase kinase kinase 14, SULFATE ION, 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide
Authors:Hole, A.J., Hymowitz, S.G., McEwan, P.A.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
6G4Z
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CRYSTAL STRUCTURE OF MURINE NF-KAPPAB INDUCING KINASE (NIK) IN COMPLEX WITH COMPOUND 2F
Descriptor:Mitogen-activated protein kinase kinase kinase 14, 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide
Authors:Leonardo-Silvestre, H., McEwan, P.A., Hymowitz, S.G.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
2CKX
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CRYSTAL STRUCTURE OF NGTRF1, DOUBLE-STRANDED TELOMERIC REPEAT BINDING FACTOR FROM NICOTIANA TABACUM.
Descriptor:TELOMERE BINDING PROTEIN TBP1
Authors:Byun, J.-S., Cho, H.-S.
Deposit date:2006-04-24
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the DNA-Binding Domain of Ngtrf1 Reveals Unique Features of Plant Telomere-Binding Proteins.
Nucleic Acids Res., 36, 2008
2QHB
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CRYSTAL STRUCTURE OF NGTRF COMPLEXED WITH TELOMERIC DNA
Descriptor:5'-D(P*TP*TP*TP*AP*GP*GP*G)-3', 5'-D(P*CP*CP*CP*TP*AP*AP*A)-3', Telomere binding protein TBP1
Authors:Cho, H.-S., Byun, J.-S., Jun, S.-H.
Deposit date:2007-07-02
Release date:2008-07-15
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Complex structure of plant telomere bindig protein, NgTRF and telomere DNA
To be Published
1AYM
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HUMAN RHINOVIRUS 16 COAT PROTEIN AT HIGH RESOLUTION
Descriptor:HUMAN RHINOVIRUS 16 COAT PROTEIN, ZINC ION, LAURIC ACID, ...
Authors:Hadfield, A.T., Rossmann, M.G.
Deposit date:1997-11-06
Release date:1998-01-21
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The refined structure of human rhinovirus 16 at 2.15 A resolution: implications for the viral life cycle.
Structure, 5, 1997
1W00
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CRYSTAL STRUCTURE OF MUTANT ENZYME D103L OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B
Descriptor:STEROID DELTA-ISOMERASE
Authors:Kim, D.H., Jang, D.S., Nam, G.H., Oh, B.H., Choi, K.Y.
Deposit date:2004-05-30
Release date:2005-05-26
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Double-Mutant Cycle Analysis of a Hydrogen Bond Network in Ketosteroid Isomerase from Pseudomonas Putida Biotype B
Biochem.J., 382, 2004
1W01
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CRYSTAL STRUCTURE OF MUTANT ENZYME Y57F/D103L OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B
Descriptor:STEROID DELTA-ISOMERASE
Authors:Jang, D.S., Choi, K.Y.
Deposit date:2004-05-30
Release date:2004-07-08
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Double-Mutant Cycle Analysis of a Hydrogen Bond Network in Ketosteroid Isomerase from Pseudomonas Putida Biotype B.
Biochem.J., 382, 2004
1W02
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CRYSTAL STRUCTURE OF MUTANT ENZYME Y16F/D103L OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B
Descriptor:STEROID DELTA-ISOMERASE
Authors:Jang, D.S., Choi, K.Y.
Deposit date:2004-05-30
Release date:2004-07-08
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Double-Mutant Cycle Analysis of a Hydrogen Bond Network in Ketosteroid Isomerase from Pseudomonas Putida Biotype B.
Biochem.J., 382, 2004
1FMU
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STRUCTURE OF NATIVE PROTEINASE A IN P3221 SPACE GROUP.
Descriptor:SACCHAROPEPSIN, ALPHA-D-MANNOSE, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Gustchina, A., Li, M., Phylip, L.H., Lees, W.E., Kay, J., Wlodawer, A.
Deposit date:2000-08-18
Release date:2002-07-31
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An unusual orientation for Tyr75 in the active site of the aspartic proteinase from Saccharomyces cerevisiae.
Biochem.Biophys.Res.Commun., 295, 2002
1FMX
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STRUCTURE OF NATIVE PROTEINASE A IN THE SPACE GROUP P21
Descriptor:SACCHAROPEPSIN, BETA-D-MANNOSE, N-ACETYL-D-GLUCOSAMINE
Authors:Gustchina, A., Li, M., Phylip, L.H., Lees, W.E., Kay, J., Wlodawer, A.
Deposit date:2000-08-18
Release date:2002-07-31
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:An unusual orientation for Tyr75 in the active site of the aspartic proteinase from Saccharomyces cerevisiae.
Biochem.Biophys.Res.Commun., 295, 2002
1E3R
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE MUTANT D40N (D38N TI NUMBERING) FROM PSEUDOMONAS PUTIDA COMPLEXED WITH ANDROSTEN-3BETA-OL-17-ONE
Descriptor:ISOMERASE, 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
Authors:Ha, N.-C., Kim, M.-S., Hyun, B.-H., Oh, B.-H.
Deposit date:2000-06-22
Release date:2001-03-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Detection of Large Pka Perturbations of an Inhibitor and a Catalytic Group at an Enzyme Active Site, a Mechanistic Basis for Catalytic Power of Many Enzymes
J.Biol.Chem., 275, 2000
1E3V
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CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE FROM PSEDOMONAS PUTIDA COMPLEXED WITH DEOXYCHOLATE
Descriptor:STEROID DELTA-ISOMERASE, (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID
Authors:Ha, N.-C., Kim, M.-S., Kim, J.-S., Oh, B.-H.
Deposit date:2000-06-24
Release date:2001-03-12
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Detection of Large Pka Perturbations of an Inhibitor and a Catalytic Group at an Enzyme Active Site, a Mechanistic Basis for Catalytic Power of Many Enzymes
J.Biol.Chem., 275, 2000
1NE3
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SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S28E FROM METHANOBACTERIUM THERMOAUTOTROPHICUM. ONTARIO CENTRE FOR STRUCTURAL PROTEOMICS TARGET MTH0256_1_68; NORTHEAST STRUCTURAL GENOMICS TARGET TT744
Descriptor:30S ribosomal protein S28E
Authors:Wu, B., Pineda-Lucena, A., Yee, A., Cort, J.R., Ramelot, T.A., Kennedy, M., Edwards, A., Arrowsmith, C.H., Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-12-10
Release date:2003-12-23
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of ribosomal protein S28E from Methanobacterium thermoautotrophicum.
Protein Sci., 12, 2003
1OGX
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HIGH RESOLUTION CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE MUTANT D40N(D38N, TI NUMBERING) FROM PSEUDOMONAS PUTIDA COMPLEXED WITH EQUILENIN AT 2.0 A RESOLUTION.
Descriptor:STEROID DELTA-ISOMERASE, EQUILENIN
Authors:Ha, N.-C., Kim, M.-S., Oh, B.-H.
Deposit date:2003-05-17
Release date:2003-05-20
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Detection of Large Pka Perturbation of an Inhibitor and a Catalytic Group at an Enzyme Active Site, a Mechanistic Basis for Catalytic Power of Many Enzymes
J.Biol.Chem., 275, 2000