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1D0D
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BU of 1d0d by Molmil
CRYSTAL STRUCTURE OF TICK ANTICOAGULANT PROTEIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: ANTICOAGULANT PROTEIN, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION
Authors:St.Charles, R, Padmanabhan, K, Arni, R.V, Padmanabhan, K.P, Tulinsky, A.
Deposit date:1999-09-09
Release date:2000-09-09
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of tick anticoagulant peptide at 1.6 A resolution complexed with bovine pancreatic trypsin inhibitor.
Protein Sci., 9, 2000
1HUT
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BU of 1hut by Molmil
THE STRUCTURE OF ALPHA-THROMBIN INHIBITED BY A 15-MER SINGLE-STRANDED DNA APTAMER
Descriptor: ALPHA-Thrombin heavy chain, ALPHA-Thrombin light chain, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ...
Authors:Padmanabhan, K, Padmanabhan, K.P, Ferrara, J.D, Sadler, J.E, Tulinsky, A.
Deposit date:1993-05-27
Release date:1994-06-22
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of alpha-thrombin inhibited by a 15-mer single-stranded DNA aptamer.
J.Biol.Chem., 268, 1993
1THS
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BU of 1ths by Molmil
STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), SYNTHETIC INHIBITOR
Authors:Qiu, X, Yin, M, Padmanabhan, K.P, Krstenansky, J.L, Tulinsky, A.
Deposit date:1993-06-16
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor.
J.Biol.Chem., 268, 1993
1THR
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BU of 1thr by Molmil
STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRULLIN
Authors:Qiu, X, Yin, M, Padmanabhan, K.P, Krstenansky, J.L, Tulinsky, A.
Deposit date:1993-06-16
Release date:1994-01-31
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor.
J.Biol.Chem., 268, 1993
1TMB
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BU of 1tmb by Molmil
MOLECULAR BASIS FOR THE INHIBITION OF HUMAN ALPHA-THROMBIN BY THE MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
Authors:Qiu, X, Padmanabhan, K.P, Maryanoff, B.E, Tulinsky, A.
Deposit date:1993-05-27
Release date:1994-01-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A.
Proc.Natl.Acad.Sci.USA, 90, 1993
2HPP
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BU of 2hpp by Molmil
Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human ppack-thrombin
Descriptor: ALPHA-THROMBIN HEAVY CHAIN, ALPHA-THROMBIN LIGHT CHAIN, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ...
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1993-04-28
Release date:1994-01-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human PPACK-thrombin.
Biochemistry, 32, 1993
2HPQ
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BU of 2hpq by Molmil
Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human ppack-thrombin
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ...
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1993-04-28
Release date:1994-01-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human PPACK-thrombin.
Biochemistry, 32, 1993
4DII
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BU of 4dii by Molmil
X-ray structure of the complex between human alpha thrombin and thrombin binding aptamer in the presence of potassium ions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F.
Deposit date:2012-01-31
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity.
Nucleic Acids Res., 40, 2012
4DIH
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BU of 4dih by Molmil
X-ray structure of the complex between human alpha thrombin and thrombin binding aptamer in the presence of sodium ions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F.
Deposit date:2012-01-31
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity.
Nucleic Acids Res., 40, 2012
1HAP
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BU of 1hap by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON X-RAY MODEL OF DNA)
Descriptor: 5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3', D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ...
Authors:Padmanabhan, K, Tulinsky, A.
Deposit date:1995-10-03
Release date:1996-04-03
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
1A4W
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BU of 1a4w by Molmil
CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
Authors:Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A.
Deposit date:1998-02-06
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
1TBZ
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BU of 1tbz by Molmil
HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN
Descriptor: ALPHA-THROMBIN, D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide, HIRUGEN, ...
Authors:Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A.
Deposit date:1998-02-05
Release date:1998-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
2HNT
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BU of 2hnt by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF HUMAN GAMMA-THROMBIN
Descriptor: GAMMA-THROMBIN
Authors:Tulinsky, A.
Deposit date:1994-08-23
Release date:1994-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic structure of human gamma-thrombin.
J.Biol.Chem., 269, 1994
1HCG
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BU of 1hcg by Molmil
STRUCTURE OF HUMAN DES(1-45) FACTOR XA AT 2.2 ANGSTROMS RESOLUTION
Descriptor: BLOOD COAGULATION FACTOR XA
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1993-05-05
Release date:1995-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human des(1-45) factor Xa at 2.2 A resolution.
J.Mol.Biol., 232, 1993
1WU1
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BU of 1wu1 by Molmil
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
Descriptor: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
Authors:Suzuki, M.
Deposit date:2004-11-29
Release date:2005-11-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Bioorg.Med.Chem., 13, 2005
1XKA
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BU of 1xka by Molmil
FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Descriptor: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
Authors:Kamata, K, Kim, S.H.
Deposit date:1998-03-19
Release date:1999-03-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for chemical inhibition of human blood coagulation factor Xa.
Proc.Natl.Acad.Sci.USA, 95, 1998
1XKB
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BU of 1xkb by Molmil
FACTOR XA COMPLEXED WITH A SYNTHETIC INHIBITOR FX-2212A,(2S)-(3'-AMIDINO-3-BIPHENYLYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Descriptor: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
Authors:Kamata, K, Kim, S.H.
Deposit date:1998-03-19
Release date:1999-03-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for chemical inhibition of human blood coagulation factor Xa.
Proc.Natl.Acad.Sci.USA, 95, 1998
1HAO
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BU of 1hao by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA)
Descriptor: ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Tulinsky, A, Padmanabhan, K.
Deposit date:1995-10-03
Release date:1996-04-03
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
1ADZ
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BU of 1adz by Molmil
THE SOLUTION STRUCTURE OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR, NMR, 30 STRUCTURES
Descriptor: TISSUE FACTOR PATHWAY INHIBITOR
Authors:Burgering, M.J.M, Orbons, L.P.M.
Deposit date:1997-02-19
Release date:1998-02-25
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The second Kunitz domain of human tissue factor pathway inhibitor: cloning, structure determination and interaction with factor Xa.
J.Mol.Biol., 269, 1997
1QB1
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BU of 1qb1 by Molmil
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
Descriptor: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-28
Release date:2000-04-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1TFX
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BU of 1tfx by Molmil
COMPLEX OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR WITH PORCINE TRYPSIN
Descriptor: CALCIUM ION, TISSUE FACTOR PATHWAY INHIBITOR, TRYPSIN
Authors:Stubbs, M.T, Huber, R.
Deposit date:1997-01-21
Release date:1998-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The second Kunitz domain of human tissue factor pathway inhibitor: cloning, structure determination and interaction with factor Xa.
J.Mol.Biol., 269, 1997
1V3X
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BU of 1v3x by Molmil
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
Descriptor: (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
Authors:Suzuki, M.
Deposit date:2003-11-07
Release date:2004-11-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element
J.Med.Chem., 47, 2004
1FAX
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BU of 1fax by Molmil
COAGULATION FACTOR XA INHIBITOR COMPLEX
Descriptor: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, FACTOR XA
Authors:Brandstetter, H, Engh, R.A.
Deposit date:1996-08-23
Release date:1997-10-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition.
J.Biol.Chem., 271, 1996
1ABJ
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BU of 1abj by Molmil
STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Qiu, X, Tulinsky, A.
Deposit date:1992-08-24
Release date:1994-01-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors.
Biochemistry, 31, 1992
1ABI
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BU of 1abi by Molmil
STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRULOG 3
Authors:Qiu, X, Tulinsky, A.
Deposit date:1992-08-24
Release date:1994-01-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors.
Biochemistry, 31, 1992

 

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