Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.

FACTOR XA IN COMPLEX WITH THE INHIBITOR 4 -[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2- METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN -2-YL]CARBONYL]PIPERAZINE

CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX

CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH 43

CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 4 ,4-DISUBSTITUTED PYRROLIDINE-1,2- DICARBOXAMIDE INHIBITOR 1

FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S) -(3'-AMIDINO-3- BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXEDWITH RPR209685

AMINOPYRROLIDINE-RELATED TRIAZOLE FACTOR XA INHIBITOR

CRYSTAL STRUCTURE OF THE ANTITHROMBIN-S195A FACTOR XA-PENTASACCHARIDE COMPLEX

HUMAN FACTOR XA COMPLEXED WITH 2-[3-(15N- AMINO-15N-IMINO-13C-METHYL)PHENOXY]-6-[3 -(15N-AMINO-13C-METHYL)PHENOXY]-3,5- DIFLUORO-4-METHYLPYRIDINE (ZK-806299), BINDING MODELFROM DOUBLE REDOR NMR AND MD SIMULATIONS.

CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79.

CRYSTAL STRUCTURE OF BLOOD COAGULATION FACTOR XA IN COMPLEXWITH ECOTIN M84R

FACTOR XA IN COMPLEX WITH THE INHIBITOR 3 -(6-(2'-((DIMETHYLAMINO)METHYL)-4-BIPHENYLYL )-7-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7- TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-1- YL)BENZAMIDE

CRYSTAL STRUCTURE OF 3-CHLORO-N-[4-CHLORO -2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL ]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2- OXAZOLYL)METHYLAMINO]METHYL]-2- THIOPHENECARBOXAMIDE COMPLEXED WITH HUMAN FACTOR XA

HUMAN COAGULATION FACTOR XA COMPLEXD WITH M55590

STRUCTURE AND PROPERTY BASED DESIGN OF FACTOR XA INHIBITORS:BIARYL PYRROLIDIN-2- ONES INCORPORATING BASIC HETEROCYCLIC MOTIFS

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXEDWITH RPR200095

SELECTIVE AND DUAL ACTION ORALLY ACTIVE INHIBITORS OF THROMBIN AND FACTOR XA

CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41.

CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 4 ,4-DISUBSTITUTED PYRROLIDINE-1,2- DICARBOXAMIDE INHIBITOR 2

CRYSTAL STRUCTURE OF FACTOR XA COMPLEXED TO RAZAXABAN

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXEDWITH RPR132747

CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH 21

HUMAN COAGULATION FACTOR XA COMPLEXD WITH M55165

THEORETICAL MODEL OF THE TISSUE FACTOR/ FACTOR VIIA/FACTORXA COMPLEX

HUNMAN COAGULATION FACTOR XA COMPLEXD WITH M55159

HUNMAN COAGULATION FACTOR XA COMPLEXD WITH M55143

CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45.

STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB- MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR

HUNMAN COAGULATION FACTOR XA COMPLEXD WITH M55532

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208707

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815

CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH 50

CRYSTAL STRUCTURE OF 3-CHLORO-N-[4-CHLORO -2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]- 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2- THIOPHENECARBOXAMIDE COMPLEXED WITHHUMAN FACTOR XA

HUMAN COAGULATION FACTOR XA COMPLEXD WITH M55192

CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45

HUNMAN COAGULATION FACTOR XA COMPLEXD WITH M54471

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR128515

STRUCTURE AND PROPERTY BASED DESIGN OF FACTOR XA INHIBITORS: PYRROLIDIN-2-ONES WITH BIARYL P4 MOTIFS

CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031)COMPLEXED WITH FACTOR XA

CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125.

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXEDWITH RPR208944

HUNMAN COAGULATION FACTOR XA COMPLEXD WITH M55124

CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH 1

HUNMAN COAGULATION FACTOR XA COMPLEXD WITH M55125

FACTOR XA IN COMPLEX WITH (R)-2-(3- ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL- PHENYL)-N-PHENETHYL-PROPIONAMIDE

HUNMAN COAGULATION FACTOR XA COMPLEXD WITH M55113

FACTOR XA IN COMPLEX WITH THE INHIBITOR 1 -[6-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5, 4-C)PYRIDIN-2-YL] CARBONYL-2-CARBAMOYL-4 -(6-CHLORONAPHTH-2-YLSULPHONYL)PIPERAZINE

FACTOR XA IN COMPLEX WITH THE INHIBITOR 1 -(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2 '-(((3R)-3-HYDROXY-1-PYRROLIDINYL)METHYL)-4 -BIPHENYLYL)-3-(TRIFLUOROMETHYL)-1,4,5,6- TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE

HUMAN COAGULATION FACTOR XA COMPLEXED WITH M54476

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH FXV673

SHEET
DETERMINATION METHOD: DSSP
THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS
BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY
A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS
ARE IDENTICAL.

THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS
BELOW IS ACTUALLY AN 7-STRANDED BARREL THIS IS REPRESENTED BY
A 8-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS
ARE IDENTICAL.

THE SHEETS PRESENTED AS "BB" IN EACH CHAIN ON SHEET RECORDS
BELOW IS ACTUALLY AN 6-STRANDED BARREL THIS IS REPRESENTED BY
A 7-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS
ARE IDENTICAL.

ENGINEERED RESIDUE IN CHAIN A, ARG 372 TO GLU ENGINEERED RESIDUE IN CHAIN B, ARG 372 TO GLU
ARG-GLU MUTANT.THE RESIDUE NUMBERING IN THE CATALYTIC DOMAIN FOLLOWS THAT OF CHYMOTRYPSINOGEN

ACTIVATED FACTOR XA HEAVY CHAIN (E.C.3.4.21.6), FACTOR X LIGHT CHAIN (E.C.3.4.21.6)

HYDROLASE, ZYMOGEN, PROTEASE, GLYCOPROTEIN, GAMMA-CARBOXYGLUTAMIC ACID, BLOOD CLOTTING, COAGULATION FACTOR, HYDROXYLATION, SERINE PROTEASE, EGF-LIKE DOMAIN