Author results

1MAJ
  • Download 1maj
  • View 1maj
Molmil generated image of 1maj
SOLUTION STRUCTURE OF AN ISOLATED ANTIBODY VL DOMAIN
Descriptor:IGG2A-KAPPA 26-10 FV (LIGHT CHAIN)
Authors:Constantine, K.L., Friedrichs, M.S., Metzler, W.J., Wittekind, M., Hensley, P., Mueller, L.
Deposit date:1993-09-16
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of an isolated antibody VL domain.
J.Mol.Biol., 236, 1994
1MAK
  • Download 1mak
  • View 1mak
Molmil generated image of 1mak
SOLUTION STRUCTURE OF AN ISOLATED ANTIBODY VL DOMAIN
Descriptor:IGG2A-KAPPA 26-10 FV (LIGHT CHAIN)
Authors:Constantine, K.L., Friedrichs, M.S., Metzler, W.J., Wittekind, M., Hensley, P., Mueller, L.
Deposit date:1993-09-16
Release date:1994-01-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of an isolated antibody VL domain.
J.Mol.Biol., 236, 1994
1PFL
  • Download 1pfl
  • View 1pfl
Molmil generated image of 1pfl
REFINED SOLUTION STRUCTURE OF HUMAN PROFILIN I
Descriptor:PROFILIN I
Authors:Metzler, W.J., Farmer II, B.T., Constantine, K.L., Friedrichs, M.S., Lavoie, T., Mueller, L.
Deposit date:1994-12-12
Release date:1995-03-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Refined solution structure of human profilin I.
Protein Sci., 4, 1995
1GBQ
  • Download 1gbq
  • View 1gbq
Molmil generated image of 1gbq
SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, MINIMIZED AVERAGE STRUCTURE
Descriptor:GRB2, SOS-1
Authors:Wittekind, M., Mapelli, C., Lee, V., Goldfarb, V., Friedrichs, M.S., Meyers, C.A., Mueller, L.
Deposit date:1996-12-23
Release date:1997-09-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
2GBQ
  • Download 2gbq
  • View 2gbq
Molmil generated image of 2gbq
SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, 15 STRUCTURES
Descriptor:GRB2, SOS-1
Authors:Wittekind, M., Mapelli, C., Lee, V., Goldfarb, V., Friedrichs, M.S., Meyers, C.A., Mueller, L.
Deposit date:1996-12-23
Release date:1997-09-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
3GBQ
  • Download 3gbq
  • View 3gbq
Molmil generated image of 3gbq
SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, MINIMIZED AVERAGE STRUCTURE
Descriptor:GRB2, SOS-1
Authors:Wittekind, M., Mapelli, C., Lee, V., Goldfarb, V., Friedrichs, M.S., Meyers, C.A., Mueller, L.
Deposit date:1996-12-23
Release date:1997-09-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
4GBQ
  • Download 4gbq
  • View 4gbq
Molmil generated image of 4gbq
SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, 15 STRUCTURES
Descriptor:GRB2, SOS-1
Authors:Wittekind, M., Mapelli, C., Lee, V., Goldfarb, V., Friedrichs, M.S., Meyers, C.A., Mueller, L.
Deposit date:1996-12-23
Release date:1997-09-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
4TGF
  • Download 4tgf
  • View 4tgf
Molmil generated image of 4tgf
SOLUTION STRUCTURES OF HUMAN TRANSFORMING GROWTH FACTOR ALPHA DERIVED FROM 1*H NMR DATA
Descriptor:DES-VAL-1,VAL-2,TRANSFORMING GROWTH FACTOR, ALPHA
Authors:Kline, T.P., Brown, F.K., Brown, S.C., Jeffs, P.W., Kopple, K.D., Mueller, L.
Deposit date:1990-06-13
Release date:1991-10-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structures of human transforming growth factor alpha derived from 1H NMR data.
Biochemistry, 29, 1990
3KJ6
  • Download 3kj6
  • View 3kj6
Molmil generated image of 3kj6
CRYSTAL STRUCTURE OF A METHYLATED BETA2 ADRENERGIC RECEPTOR-FAB COMPLEX
Descriptor:Beta-2 adrenergic receptor, Fab light chain, Fab heavy chain, ...
Authors:Bokoch, M.P., Zou, Y., Rasmussen, S.G.F., Liu, C.W., Nygaard, R., Rosenbaum, D.M., Fung, J.J., Choi, H.-J., Thian, F.S., Kobilka, T.S., Puglisi, J.D., Weis, W.I., Pardo, L., Prosser, S., Mueller, L., Kobilka, B.K.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptor.
Nature, 463, 2010
1AH1
  • Download 1ah1
  • View 1ah1
Molmil generated image of 1ah1
CTLA-4, NMR, 20 STRUCTURES
Descriptor:CTLA-4, N-ACETYL-D-GLUCOSAMINE, BETA-L-FUCOSE, ...
Authors:Metzler, W.J., Bajorath, J., Fenderson, W., Shaw, S.-Y., Peach, R., Constantine, K.L., Naemura, J., Leytze, G., Lavoie, T.B., Mueller, L., Linsley, P.S.
Deposit date:1997-04-11
Release date:1998-04-15
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of human CTLA-4 and delineation of a CD80/CD86 binding site conserved in CD28.
Nat.Struct.Biol., 4, 1997
1AKP
  • Download 1akp
  • View 1akp
Molmil generated image of 1akp
SEQUENTIAL 1H,13C AND 15N NMR ASSIGNMENTS AND SOLUTION CONFORMATION OF APOKEDARCIDIN
Descriptor:APOKEDARCIDIN
Authors:Constantine, K.L., Colson, K.L., Wittekind, M., Friedrichs, M.S., Zein, N., Tuttle, J., Langley, D.R., Leet, J.E., Schroeder, D.R., Lam, K.S., Farmer II, B.T., Metzler, W.J., Bruccoleri, R.E., Mueller, L.
Deposit date:1994-06-20
Release date:1994-08-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Sequential 1H, 13C, and 15N NMR assignments and solution conformation of apokedarcidin.
Biochemistry, 33, 1994
1BLJ
  • Download 1blj
  • View 1blj
Molmil generated image of 1blj
NMR ENSEMBLE OF BLK SH2 DOMAIN, 20 STRUCTURES
Descriptor:P55 BLK PROTEIN TYROSINE KINASE
Authors:Metzler, W.J., Leiting, B., Pryor, K., Mueller, L., Farmer II, B.T.
Deposit date:1996-03-26
Release date:1997-03-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The three-dimensional solution structure of the SH2 domain from p55blk kinase.
Biochemistry, 35, 1996
1BLK
  • Download 1blk
  • View 1blk
Molmil generated image of 1blk
NMR ENSEMBLE OF BLK SH2 DOMAIN USING CHEMICAL SHIFT REFINEMENT, 20 STRUCTURES
Descriptor:P55 BLK PROTEIN TYROSINE KINASE
Authors:Metzler, W.J., Leiting, B., Pryor, K., Mueller, L., Farmer II, B.T.
Deposit date:1996-03-26
Release date:1997-03-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:The three-dimensional solution structure of the SH2 domain from p55blk kinase.
Biochemistry, 35, 1996
1GBR
  • Download 1gbr
  • View 1gbr
Molmil generated image of 1gbr
ORIENTATION OF PEPTIDE FRAGMENTS FROM SOS PROTEINS BOUND TO THE N-TERMINAL SH3 DOMAIN OF GRB2 DETERMINED BY NMR SPECTROSCOPY
Descriptor:GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2, SOS-A PEPTIDE
Authors:Wittekind, M., Mapelli, C., Farmer, B.T., Suen, K.-L., Goldfarb, V., Tsao, J., Lavoie, T., Barbacid, M., Meyers, C.A., Mueller, L.
Deposit date:1994-08-12
Release date:1995-01-26
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Orientation of peptide fragments from Sos proteins bound to the N-terminal SH3 domain of Grb2 determined by NMR spectroscopy.
Biochemistry, 33, 1994
5K4I
  • Download 5k4i
  • View 5k4i
Molmil generated image of 5k4i
CRYSTAL STRUCTURE OF ERK2 IN COMPLEX WITH COMPOUND 22
Descriptor:Mitogen-activated protein kinase 1, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, 1,2-ETHANEDIOL
Authors:Yin, J., Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5K4J
  • Download 5k4j
  • View 5k4j
Molmil generated image of 5k4j
CRYSTAL STRUCTURE OF CDK2 IN COMPLEX WITH COMPOUND 22
Descriptor:Cyclin-dependent kinase 2, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
Authors:Yin, J., Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
2GM1
  • Download 2gm1
  • View 2gm1
Molmil generated image of 2gm1
CRYSTAL STRUCTURE OF THE MITOTIC KINESIN EG5 IN COMPLEX WITH MG-ADP AND N-(3-AMINOPROPYL)-N-((3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL)-4-METHYLBENZAMIDE
Descriptor:KINESIN-RELATED MOTOR PROTEIN EG5, MAGNESIUM ION, N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE, ...
Authors:Sheriff, S.
Deposit date:2006-04-05
Release date:2006-06-27
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
4KNV
  • Download 4knv
  • View 4knv
Molmil generated image of 4knv
THE CRYSTAL STRUCTURE OF APO HUMAN HDHD4 FROM SE-MAD
Descriptor:N-acylneuraminate-9-phosphatase, PHOSPHATE ION, MAGNESIUM ION
Authors:Klei, H.E.
Deposit date:2013-05-10
Release date:2013-06-26
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
4KNW
  • Download 4knw
  • View 4knw
Molmil generated image of 4knw
THE CRYSTAL STRUCTURE OF HUMAN HDHD4 IN COMPLEX WITH MAGNESIUM AND THE PHOSPHATE MIMETIC VANADATE
Descriptor:N-acylneuraminate-9-phosphatase, VANADATE ION, MAGNESIUM ION
Authors:Klei, H.E.
Deposit date:2013-05-10
Release date:2013-06-26
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
4X8S
  • Download 4x8s
  • View 4x8s
Molmil generated image of 4x8s
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 4-BROMO-2-METHOXYPHENOL
Descriptor:Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), 4-bromo-2-methoxyphenol, ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4X8T
  • Download 4x8t
  • View 4x8t
Molmil generated image of 4x8t
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 7-CHLORO-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
Descriptor:Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), 7-chloro-3,4-dihydroisoquinolin-1(2H)-one, ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4X8U
  • Download 4x8u
  • View 4x8u
Molmil generated image of 4x8u
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID
Descriptor:Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), 5-chloro-1H-indole-2-carboxylic acid, ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4X8V
  • Download 4x8v
  • View 4x8v
Molmil generated image of 4x8v
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (METHYL {3-[(2R)-1-{(2R)-2-(3,4-DIMETHOXYPHENYL)-2-[(1-OXO-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)AMINO]ACETYL}PYRROLIDIN-2-YL]-4-(PROPAN-2-YLSULFONYL)PHENYL}CARBAMATE)
Descriptor:Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate, ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
5I46
  • Download 5i46
  • View 5i46
Molmil generated image of 5i46
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (2R,15R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-8-FLUORO-7-HYDROXY-4,15,17-TRIMETHYL-13-OXA-4,11-DIAZATRICYCLO[14.2.2.1~6,10~]HENICOSA-1(18),6(21),7,9,16,19-HEXAENE-3,12-DIONE
Descriptor:Coagulation factor VII (Heavy Chain), Coagulation factor VII (Light Chain), (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, ...
Authors:Wei, A.
Deposit date:2016-02-11
Release date:2016-06-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Atropisomer Control in Macrocyclic Factor VIIa Inhibitors.
J.Med.Chem., 59, 2016
1BBG
  • Download 1bbg
  • View 1bbg
Molmil generated image of 1bbg
RAGWEED POLLEN ALLERGEN FROM AMBROSIA TRIFIDA V, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor:POLLEN ALLERGEN 5
Authors:Warren, G.L., Tuner, C.J., Petsko, G.A., Brunger, A.T.
Deposit date:1998-04-24
Release date:1998-06-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A Highly Precise Solution 1H NMR Structure of Ragweed Allergen Amb. T. V
To be Published
<12>