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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
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:2024-06-05
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
1B5G
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BU of 1b5g by Molmil
HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN
Descriptor: ALPHA-THROMBIN, HIRUGEN, SODIUM ION, ...
Authors:St Charles, R, Tulinsky, A, Kahn, M.
Deposit date:1998-03-05
Release date:1998-05-27
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
1MXS
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BU of 1mxs by Molmil
Crystal structure of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase from Pseudomonas putida.
Descriptor: KDPG Aldolase, SULFATE ION
Authors:Watanabe, L, Bell, B.J, Lebioda, L, Rios-Steiner, J.L, Tulinsky, A, Arni, R.K.
Deposit date:2002-10-03
Release date:2003-09-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 59, 2003
2H9E
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BU of 2h9e by Molmil
Crystal Structure of FXa/selectide/NAPC2 ternary complex
Descriptor: ACETATE ION, Anti-coagulant protein C2, Coagulation factor X heavy chain, ...
Authors:Murakami, M.T, Geiger, G, Tulinsky, A, Arni, R.K.
Deposit date:2006-06-09
Release date:2007-02-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Intermolecular Interactions and Characterization of the Novel Factor Xa Exosite Involved in Macromolecular Recognition and Inhibition: Crystal Structure of Human Gla-domainless Factor Xa Complexed with the Anticoagulant Protein NAPc2 from the Hematophagous Nematode Ancylostoma caninum.
J.Mol.Biol., 366, 2007
1I5K
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BU of 1i5k by Molmil
STRUCTURE AND BINDING DETERMINANTS OF THE RECOMBINANT KRINGLE-2 DOMAIN OF HUMAN PLASMINOGEN TO AN INTERNAL PEPTIDE FROM A GROUP A STREPTOCOCCAL SURFACE PROTEIN
Descriptor: M PROTEIN, PLASMINOGEN
Authors:Rios-Steiner, J.L, Schenone, M, Mochalkin, I, Tulinsky, A, Castellino, F.J.
Deposit date:2001-02-27
Release date:2001-08-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and binding determinants of the recombinant kringle-2 domain of human plasminogen to an internal peptide from a group A Streptococcal surface protein.
J.Mol.Biol., 308, 2001
1RN1
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BU of 1rn1 by Molmil
THREE-DIMENSIONAL STRUCTURE OF GLN 25-RIBONUCLEASE T1 AT 1.84 ANGSTROMS RESOLUTION: STRUCTURAL VARIATIONS AT THE BASE RECOGNITION AND CATALYTIC SITES
Descriptor: RIBONUCLEASE T1 ISOZYME, SULFATE ION
Authors:Arni, R.K, Pal, G.P, Ravichandran, K.G, Tulinsky, A, Walz Junior, F.G, Metcalf, P.
Deposit date:1991-11-22
Release date:1994-01-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Three-dimensional structure of Gln25-ribonuclease T1 at 1.84-A resolution: structural variations at the base recognition and catalytic sites.
Biochemistry, 31, 1992
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:2024-06-05
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:2024-06-05
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
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
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
1KIV
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BU of 1kiv by Molmil
RECOMBINANT KRINGLE IV-10/M66 VARIANT OF HUMAN APOLIPOPROTEIN(A)
Descriptor: APOLIPOPROTEIN A
Authors:Mochalkin, I, Tulinsky, A, Scanu, A.
Deposit date:1998-08-26
Release date:1999-05-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance.
Biochemistry, 38, 1999
1BA8
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BU of 1ba8 by Molmil
THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-23
Release date:1999-04-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1BB0
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BU of 1bb0 by Molmil
THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-28
Release date:1999-04-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1AY6
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BU of 1ay6 by Molmil
THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF
Descriptor: HIRUGEN, THROMBIN HEAVY CHAIN, THROMBIN LIGHT CHAIN, ...
Authors:Ganesh, V, Maryanoff, B.E, Tulinsky, A.
Deposit date:1997-11-14
Release date:1998-03-18
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif
Bioorg.Med.Chem.Lett., 6, 1996
1PKR
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BU of 1pkr by Molmil
THE STRUCTURE OF RECOMBINANT PLASMINOGEN KRINGLE 1 AND THE FIBRIN BINDING SITE
Descriptor: CHLORIDE ION, PLASMINOGEN
Authors:Wu, T.-P, Tulinsky, A.
Deposit date:1993-08-03
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The structure of recombinant plasminogen kringle 1 and the fibrin binding site.
Blood Coagulation Fibrinolysis, 5, 1994
1NY2
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BU of 1ny2 by Molmil
Human alpha thrombin inhibited by RPPGF and hirugen
Descriptor: Hirugen, Inhibitor peptide RPPGF, thrombin Heavy chain, ...
Authors:Krishnan, R, Tulinsky, A, Schmaier, A.H, Hasan, A.A, Warnock, M, Srikanth, S, Mahdi, F.
Deposit date:2003-02-11
Release date:2003-03-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of Arg-Pro-Pro-Gly-Phe inhibition of thrombin.
Am.J.Physiol.Heart Circ.Physiol., 285, 2003
1TPK
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BU of 1tpk by Molmil
CRYSTAL STRUCTURE OF THE KRINGLE-2 DOMAIN OF TISSUE PLASMINOGEN ACTIVATOR AT 2.4-ANGSTROMS RESOLUTION
Descriptor: CHLORIDE ION, TISSUE PLASMINOGEN ACTIVATOR
Authors:De vos, A.M, Ultsch, M.H, Kelley, R.F, Padmanabhan, K, Tulinsky, A, Westbrook, M.L, Kossiakoff, A.A.
Deposit date:1991-09-24
Release date:1992-07-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the kringle 2 domain of tissue plasminogen activator at 2.4-A resolution.
Biochemistry, 31, 1992
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
1TWX
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BU of 1twx by Molmil
Crystal structure of the thrombin mutant D221A/D222K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, Prothrombin
Authors:Pineda, A.O, Zhang, E, Guinto, E.R, Savvides, S.N, Tulinsky, A, Di Cera, E.
Deposit date:2004-07-01
Release date:2005-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the thrombin mutant D221A/D222K: the Asp222:Arg187 ion-pair stabilizes the fast form
Biophys.Chem., 112, 2004
1CA8
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BU of 1ca8 by Molmil
Thrombin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-27
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes
Biochemistry, 37, 1998
1C4V
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BU of 1c4v by Molmil
SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES.
Descriptor: 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A.
Deposit date:1999-09-25
Release date:2000-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
1C4U
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BU of 1c4u by Molmil
SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES.
Descriptor: 2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, PROTEIN (HIRUGEN), SODIUM ION, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A.
Deposit date:1999-09-25
Release date:2000-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
1C4Y
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BU of 1c4y by Molmil
SELECTIVE NON-ELECTROPHILIC THROMBIN INHIBITORS
Descriptor: 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID [4-(2-AMINO-3H-IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE, HIRUGEN, THROMBIN:LONG CHAIN, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A.
Deposit date:1999-10-05
Release date:2000-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
1D6W
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BU of 1d6w by Molmil
STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTROPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1
Descriptor: (5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, DECAPEPTIDE INHIBITOR, SODIUM ION, ...
Authors:Mochalkin, I, Tulinsky, A.
Deposit date:1999-10-15
Release date:2000-10-25
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000

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