Author results

1JFA
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TRICHODIENE SYNTHASE FROM FUSARIUM SPOROTRICHIOIDES
Descriptor:TRICHODIENE SYNTHASE, 1,2-ETHANEDIOL
Authors:Rynkiewicz, M.J., Cane, D.E., Christianson, D.W.
Deposit date:2001-06-20
Release date:2001-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of trichodiene synthase from Fusarium sporotrichioides provides mechanistic inferences on the terpene cyclization cascade.
Proc.Natl.Acad.Sci.USA, 98, 2001
1JFG
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TRICHODIENE SYNTHASE FROM FUSARIUM SPOROTRICHIOIDES COMPLEXED WITH DIPHOSPHATE
Descriptor:TRICHODIENE SYNTHASE, GLYCEROL, MAGNESIUM ION, ...
Authors:Rynkiewicz, M.J., Cane, D.E., Christianson, D.W.
Deposit date:2001-06-20
Release date:2001-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of trichodiene synthase from Fusarium sporotrichioides provides mechanistic inferences on the terpene cyclization cascade.
Proc.Natl.Acad.Sci.USA, 98, 2001
1KIY
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D100E TRICHODIENE SYNTHASE
Descriptor:trichodiene synthase, 1,2-ETHANEDIOL
Authors:Rynkiewicz, M.J., Cane, D.E., Christianson, D.W.
Deposit date:2001-12-03
Release date:2002-03-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystal structures of D100E trichodiene synthase and its pyrophosphate complex reveal the basis for terpene product diversity.
Biochemistry, 41, 2002
1KIZ
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D100E TRICHODIENE SYNTHASE COMPLEXED WITH PYROPHOSPHATE
Descriptor:trichodiene synthase, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Rynkiewicz, M.J., Cane, D.E., Christianson, D.W.
Deposit date:2001-12-03
Release date:2002-03-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray crystal structures of D100E trichodiene synthase and its pyrophosphate complex reveal the basis for terpene product diversity.
Biochemistry, 41, 2002
3UJT
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STRUCTURE OF THE FAB FRAGMENT OF AB-52, AN ANTIBODY THAT BINDS THE O-ANTIGEN OF FRANCISELLA TULARENSIS
Descriptor:Ab-52 heavy chain, Ab-52 light chain, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Rynkiewicz, M.J., Lu, Z., Hui, J.H., Sharon, J., Seaton, B.A.
Deposit date:2011-11-08
Release date:2012-07-25
Last modified:2012-10-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of a Protective Epitope of the Francisella tularensis O-Polysaccharide.
Biochemistry, 51, 2012
4WR9
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CRYSTAL STRUCTURE OF SURFACTANT PROTEIN-A DED MUTANT (E171D/P175E/K203D)
Descriptor:Pulmonary surfactant-associated protein A, CALCIUM ION
Authors:Rynkiewicz, M.J., Wu, H., Cafarella, T.R., Nikolaidis, N.M., Head, J.F., Seaton, B.A., McCormack, F.X.
Deposit date:2014-10-23
Release date:2016-02-10
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
4WRC
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CRYSTAL STRUCTURE OF SURFACTANT PROTEIN-A DEDN MUTANT (E171D/P175E/R197N/K203D)
Descriptor:Pulmonary surfactant-associated protein A, HEXANE-1,6-DIOL, CALCIUM ION, ...
Authors:Rynkiewicz, M.J., Wu, H., Cafarella, T.R., Nikolaidis, N.M., Head, J.F., Seaton, B.A., McCormack, F.X.
Deposit date:2014-10-23
Release date:2016-02-10
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
to be published
4WRE
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CRYSTAL STRUCTURE OF SURFACTANT PROTEIN-A DEDN MUTANT (E171D/P175E/R197N/K203D) COMPLEXED WITH INOSITOL
Descriptor:Pulmonary surfactant-associated protein A, CALCIUM ION, 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ...
Authors:Rynkiewicz, M.J., Wu, H., Cafarella, T.R., Nikolaidis, N.M., Head, J.F., Seaton, B.A., McCormack, F.X.
Deposit date:2014-10-23
Release date:2016-02-10
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
4WRF
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CRYSTAL STRUCTURE OF SURFACTANT PROTEIN-A DEDN MUTANT (E171D/P175E/R197N/K203D) COMPLEXED WITH MANNOSE
Descriptor:Pulmonary surfactant-associated protein A, CALCIUM ION, ALPHA-D-MANNOSE, ...
Authors:Rynkiewicz, M.J., Wu, H., Cafarella, T.R., Nikolaidis, N.M., Head, J.F., Seaton, B.A., McCormack, F.X.
Deposit date:2014-10-23
Release date:2016-02-10
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
4WUW
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CRYSTAL STRUCTURE OF SURFACTANT PROTEIN-A DED MUTANT (E171D/P175E/K203D) COMPLEXED WITH INOSITOL
Descriptor:Pulmonary surfactant-associated protein A, 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION
Authors:Rynkiewicz, M.J., Wu, H., Cafarella, T.R., Nikolaidis, N.M., Head, J.F., Seaton, B.A., McCormack, F.X.
Deposit date:2014-11-03
Release date:2016-02-10
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
4WUX
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CRYSTAL STRUCTURE OF SURFACTANT PROTEIN-A DED MUTANT (E171D/P175E/K203D) COMPLEXED WITH MANNOSE
Descriptor:Pulmonary surfactant-associated protein A, ALPHA-D-MANNOSE, CALCIUM ION
Authors:Rynkiewicz, M.J., Wu, H., Cafarella, T.R., Nikolaidis, N.M., Head, J.F., Seaton, B.A., McCormack, F.X.
Deposit date:2014-11-03
Release date:2016-02-10
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
1DI1
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CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE FROM PENICILLIUM ROQUEFORTI
Descriptor:ARISTOLOCHENE SYNTHASE
Authors:Caruthers, J.M., Kang, I., Cane, D.E., Christianson, D.W., Rynkiewicz, M.J.
Deposit date:1999-11-28
Release date:2000-08-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure determination of aristolochene synthase from the blue cheese mold, Penicillium roqueforti.
J.Biol.Chem., 275, 2000
1U59
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CRYSTAL STRUCTURE OF THE ZAP-70 KINASE DOMAIN IN COMPLEX WITH STAUROSPORINE
Descriptor:Tyrosine-protein kinase ZAP-70, STAUROSPORINE
Authors:Jin, L., Pluskey, S., Petrella, E.C., Cantin, S.M., Gorga, J.C., Rynkiewicz, M.J., Pandey, P., Strickler, J.E., Babine, R.E., Weaver, D.T., Seidl, K.J.
Deposit date:2004-07-27
Release date:2004-08-17
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Three-dimensional Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine: IMPLICATIONS FOR THE DESIGN OF SELECTIVE INHIBITORS
J.Biol.Chem., 279, 2004
1YJ4
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Y305F TRICHODIENE SYNTHASE
Descriptor:Trichodiene synthase, 1,2-ETHANEDIOL
Authors:Vedula, L.S., Rynkiewicz, M.J., Pyun, H.J., Coates, R.M., Cane, D.E., Christianson, D.W.
Deposit date:2005-01-13
Release date:2005-03-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
1YYQ
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Y305F TRICHODIENE SYNTHASE COMPLEXED WITH PYROPHOSPHATE
Descriptor:Trichodiene synthase, MAGNESIUM ION, PYROPHOSPHATE 2-
Authors:Vedula, L.S., Rynkiewicz, M.J., Pyun, H.J., Coates, R.M., Cane, D.E., Christianson, D.W.
Deposit date:2005-02-25
Release date:2005-03-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
1YYR
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Y305F TRICHODIENE SYNTHASE: COMPLEX WITH MG, PYROPHOSPHATE, AND (4R)-7-AZABISABOLENE
Descriptor:Trichodiene synthase, (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, 1,2-ETHANEDIOL, ...
Authors:Vedula, L.S., Rynkiewicz, M.J., Pyun, H.J., Coates, R.M., Cane, D.E., Christianson, D.W.
Deposit date:2005-02-25
Release date:2005-03-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
1YYS
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Y305F TRICHODIENE SYNTHASE: COMPLEX WITH MG, PYROPHOSPHATE, AND (4S)-7-AZABISABOLENE
Descriptor:Trichodiene synthase, (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, ...
Authors:Vedula, L.S., Rynkiewicz, M.J., Pyun, H.J., Coates, R.M., Cane, D.E., Christianson, D.W.
Deposit date:2005-02-25
Release date:2005-03-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
1YYT
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D100E TRICHODIENE SYNTHASE: COMPLEX WITH MG, PYROPHOSPHATE, AND (4R)-7-AZABISABOLENE
Descriptor:Trichodiene synthase, (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, ...
Authors:Vedula, L.S., Rynkiewicz, M.J., Pyun, H.J., Coates, R.M., Cane, D.E., Christianson, D.W.
Deposit date:2005-02-25
Release date:2005-03-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
1YYU
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D100E TRICHODIENE SYNTHASE: COMPLEX WITH MG, PYROPHOSPHATE, AND (4S)-7-AZABISABOLENE
Descriptor:Trichodiene synthase, MAGNESIUM ION, (1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, ...
Authors:Vedula, L.S., Rynkiewicz, M.J., Pyun, H.J., Coates, R.M., Cane, D.E., Christianson, D.W.
Deposit date:2005-02-25
Release date:2005-03-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
1ZPB
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF COAGULATION FACTOR XI IN COMPLEX WITH 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE
Descriptor:Coagulation factor XI, SULFATE ION, 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE
Authors:Deng, H., Bannister, T.D., Jin, L., Nagafuji, P., Celatka, C.A., Lin, J., Lazarova, T.I., Rynkiewicz, M.J., Quinn, J., Bibbins, F., Pandey, P., Gorga, J., Babine, R.E., Meyers, H.V., Abdel-Meguid, S.S., Strickler, J.E.
Deposit date:2005-05-16
Release date:2006-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1ZPC
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF COAGULATION FACTOR XI IN COMPLEX WITH 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE
Descriptor:Coagulation factor XI, SULFATE ION, 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE
Authors:Deng, H., Bannister, T.D., Jin, L., Nagafuji, P., Celatka, C.A., Lin, J., Lazarova, T.I., Rynkiewicz, M.J., Quinn, J., Bibbins, F., Pandey, P., Gorga, J., Babine, R.E., Meyers, H.V., Abdel-Meguid, S.S., Strickler, J.E.
Deposit date:2005-05-16
Release date:2006-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1ZPZ
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FACTOR XI CATALYTIC DOMAIN COMPLEXED WITH N-((R)-1-(4-BROMOPHENYL)ETHYL)UREA-ASN-VAL-ARG-ALPHA-KETOTHIAZOLE
Descriptor:Coagulation factor XI, SULFATE ION, N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE
Authors:Lin, J., Deng, H., Jin, L., Prandey, P., Rynkiewicz, M.J., Bibbins, F., Cantin, S., Quinn, J., Magee, S., Gorga, J.
Deposit date:2005-05-18
Release date:2006-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, Synthesis and Biological Evaluation of Peptidomimetic FXIa Inhibitors
To be Published
1ZRK
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FACTOR XI COMPLEXED WITH 3-HYDROXYPROPYL 3-(7-AMIDINONAPHTHALENE-1-CARBOXAMIDO)BENZENESULFONATE
Descriptor:Coagulation factor XI, SULFATE ION, 3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE
Authors:Guo, Z., Bannister, T., Noll, R., Jin, L., Rynkiewicz, M.J., Bibbins, F., Magee, S., Gorga, J., Babine, R., Strickler, J.
Deposit date:2005-05-19
Release date:2006-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series
To be Published
3PAK
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CRYSTAL STRUCTURE OF RAT SURFACTANT PROTEIN A NECK AND CARBOHYDRATE RECOGNITION DOMAIN (NCRD) COMPLEXED WITH MANNOSE
Descriptor:Pulmonary surfactant-associated protein A, CALCIUM ION, SODIUM ION, ...
Authors:Shang, F., Rynkiewicz, M.J., McCormack, F.X., Wu, H., Cafarella, T.M., Head, J., Seaton, B.A.
Deposit date:2010-10-19
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
3PAQ
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SURFACTANT PROTEIN A NECK AND CARBOHYDRATE RECOGNITION DOMAIN (NCRD) COMPLEXED WITH ALPHA-METHYLMANNOSE
Descriptor:Pulmonary surfactant-associated protein A, CALCIUM ION, SODIUM ION, ...
Authors:Shang, F., Rynkiewicz, M.J., McCormack, F.X., Wu, H., Cafarella, T.M., Head, J., Seaton, B.A.
Deposit date:2010-10-19
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
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