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1G30
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BU of 1g30 by Molmil
THROMBIN INHIBITOR COMPLEX
Descriptor: HIRUDIN IIB, PROTHROMBIN, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
Authors:Nar, H.
Deposit date:2000-10-23
Release date:2001-10-23
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
1LDT
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BU of 1ldt by Molmil
COMPLEX OF LEECH-DERIVED TRYPTASE INHIBITOR WITH PORCINE TRYPSIN
Descriptor: CALCIUM ION, TRYPSIN, TRYPTASE INHIBITOR
Authors:Stubbs, M.T.
Deposit date:1997-05-15
Release date:1998-05-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The three-dimensional structure of recombinant leech-derived tryptase inhibitor in complex with trypsin. Implications for the structure of human mast cell tryptase and its inhibition.
J.Biol.Chem., 272, 1997
1A5H
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BU of 1a5h by Molmil
CATALYTIC DOMAIN OF HUMAN TWO-CHAIN TISSUE PLASMINOGEN ACTIVATOR COMPLEX OF A BIS-BENZAMIDINE
Descriptor: 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, TISSUE PLASMINOGEN ACTIVATOR
Authors:Renatus, M, Bode, W, Stubbs, M.T.
Deposit date:1998-02-17
Release date:1999-04-20
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural mapping of the active site specificity determinants of human tissue-type plasminogen activator. Implications for the design of low molecular weight substrates and inhibitors.
J.Biol.Chem., 272, 1997
1ETT
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BU of 1ett by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
1ETS
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BU of 1ets by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
1BDA
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BU of 1bda by Molmil
CATALYTIC DOMAIN OF HUMAN SINGLE CHAIN TISSUE PLASMINOGEN ACTIVATOR IN COMPLEX WITH DANSYL-EGR-CMK (DANSYL-GLU-GLY-ARG CHLOROMETHYL KETONE)
Descriptor: N-{[5-(dimethylamino)naphthalen-2-yl]sulfonyl}-L-alpha-glutamyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl) butyl]glycinamide, SINGLE CHAIN TISSUE TYPE PLASMINOGEN ACTIVATOR
Authors:Bode, W, Renatus, M, Engh, R.A.
Deposit date:1998-05-07
Release date:1999-05-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Lysine 156 promotes the anomalous proenzyme activity of tPA: X-ray crystal structure of single-chain human tPA.
EMBO J., 16, 1997
1QBO
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BU of 1qbo by Molmil
BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
Descriptor: 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-26
Release date:2000-05-03
Last modified:2014-03-12
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
1RTF
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BU of 1rtf by Molmil
COMPLEX OF BENZAMIDINE WITH THE CATALYTIC DOMAIN OF HUMAN TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR [(TC)-T-PA]
Descriptor: BENZAMIDINE, PHOSPHATE ION, TWO CHAIN TISSUE PLASMINOGEN ACTIVATOR
Authors:Bode, W, Lamba, D.
Deposit date:1995-11-10
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The 2.3 A crystal structure of the catalytic domain of recombinant two-chain human tissue-type plasminogen activator
J.Mol.Biol., 258, 1996
8OMG
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BU of 8omg by Molmil
Crystal structure of mKHK (apo)
Descriptor: Ketohexokinase
Authors:Ebenhoch, E, Pautsch, P.
Deposit date:2023-03-31
Release date:2023-09-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMF
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BU of 8omf by Molmil
Crystal structure of hKHK-C in complex with compound-4
Descriptor: Ketohexokinase, SULFATE ION, compound
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2023-03-31
Release date:2023-09-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OME
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BU of 8ome by Molmil
Crystal structure of hKHK-A in complex with compound-4
Descriptor: Ketohexokinase, compound
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2023-03-31
Release date:2023-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
8OMD
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BU of 8omd by Molmil
Crystal structure of mKHK in complex with compound-4
Descriptor: Ketohexokinase, compound
Authors:Ebenhoch, R, Pautsch, A.
Deposit date:2023-03-31
Release date:2023-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
1OYQ
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BU of 1oyq by Molmil
TRYPSIN INHIBITOR COMPLEX
Descriptor: CALCIUM ION, SULFATE ION, Trypsin, ...
Authors:Nar, H.
Deposit date:2003-04-07
Release date:2003-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Inhibition Promiscuity of Dual Specific Thrombin and Factor Xa Blood Coagulation Inhibitors
Structure, 9, 2001
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
1AF0
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BU of 1af0 by Molmil
SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR
Descriptor: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide, SERRATIA PROTEASE, ...
Authors:Baumann, U.
Deposit date:1997-03-20
Release date:1998-03-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the 50 kDa Metallo Protease from S. Marcescens in Complex with the Synthetic Inhibitor Cbz-Leu-Ala-Nhoh
To be Published
1BTH
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BU of 1bth by Molmil
STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, THROMBIN
Authors:Van De Locht, A, Bode, W, Stubbs, M.T.
Deposit date:1996-12-03
Release date:1997-12-24
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The thrombin E192Q-BPTI complex reveals gross structural rearrangements: implications for the interaction with antithrombin and thrombomodulin.
EMBO J., 16, 1997
1ETR
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BU of 1etr by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: EPSILON-THROMBIN, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
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
1TOC
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BU of 1toc by Molmil
STRUCTURE OF SERINE PROTEINASE
Descriptor: ORNITHODORIN, THROMBIN
Authors:Van De Locht, A, Huber, R, Bode, W.
Deposit date:1996-07-20
Release date:1997-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The ornithodorin-thrombin crystal structure, a key to the TAP enigma?
EMBO J., 15, 1996
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