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6YD3
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BU of 6yd3 by Molmil
X-ray structure of furin in complex with the canavanine derived inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba
Descriptor: 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2020-03-20
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
5JMO
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BU of 5jmo by Molmil
X-ray structure of furin in complex with the inhibitory antibody Nb14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CMK-inhibitor, ...
Authors:Dahms, S.O, Than, M.E.
Deposit date:2016-04-29
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers.
Sci Rep, 6, 2016
5JMR
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BU of 5jmr by Molmil
X-ray structure of the furin inhibitory antibody Nb14
Descriptor: CHLORIDE ION, camelid VHH fragment
Authors:Dahms, S.O, Than, M.E.
Deposit date:2016-04-29
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers.
Sci Rep, 6, 2016
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
1FJS
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BU of 1fjs by Molmil
CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031) COMPLEXED WITH FACTOR XA
Descriptor: CALCIUM ION, CHLORIDE ION, COAGULATION FACTOR XA, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2000-08-08
Release date:2000-10-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa.
Biochemistry, 39, 2000
1UVT
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BU of 1uvt by Molmil
BOVINE THROMBIN--BM14.1248 COMPLEX
Descriptor: N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE, THROMBIN
Authors:Engh, R.A, Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
1UVS
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BU of 1uvs by Molmil
BOVINE THROMBIN--BM51.1011 COMPLEX
Descriptor: THROMBIN, [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
Authors:Engh, R.A, Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
1UVU
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BU of 1uvu by Molmil
BOVINE THROMBIN--BM12.1700 COMPLEX
Descriptor: 3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER, THROMBIN
Authors:Engh, R.A, Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
1IQH
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BU of 1iqh by Molmil
Human coagulation factor Xa in complex with M55143
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1MTY
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BU of 1mty by Molmil
METHANE MONOOXYGENASE HYDROXYLASE FROM METHYLOCOCCUS CAPSULATUS (BATH)
Descriptor: FE (III) ION, METHANE MONOOXYGENASE HYDROXYLASE
Authors:Rosenzweig, A.C, Nordlund, P, Lippard, S.J, Frederick, C.A.
Deposit date:1996-07-10
Release date:1997-04-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the methane monooxygenase hydroxylase from Methylococcus capsulatus (Bath): implications for substrate gating and component interactions.
Proteins, 29, 1997
1IQF
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BU of 1iqf by Molmil
Human coagulation factor Xa in complex with M55165
Descriptor: (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQL
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BU of 1iql by Molmil
Human coagulation factor Xa in complex with M54476
Descriptor: 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQG
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BU of 1iqg by Molmil
Human coagulation factor Xa in complex with M55159
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQN
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BU of 1iqn by Molmil
Human coagulation factor Xa in complex with M55192
Descriptor: 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQJ
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BU of 1iqj by Molmil
Human coagulation factor Xa in complex with M55124
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQE
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BU of 1iqe by Molmil
Human coagulation factor Xa in complex with M55590
Descriptor: 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQM
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BU of 1iqm by Molmil
Human coagulation factor Xa in complex with M54471
Descriptor: 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1PPB
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BU of 1ppb by Molmil
THE REFINED 1.9 ANGSTROMS CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN: INTERACTION WITH D-PHE-PRO-ARG CHLOROMETHYLKETONE AND SIGNIFICANCE OF THE TYR-PRO-PRO-TRP INSERTION SEGMENT
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:Bode, W.
Deposit date:1991-10-24
Release date:1994-01-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The refined 1.9 A crystal structure of human alpha-thrombin: interaction with D-Phe-Pro-Arg chloromethylketone and significance of the Tyr-Pro-Pro-Trp insertion segment.
EMBO J., 8, 1989
1IQK
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BU of 1iqk by Molmil
Human coagulation factor Xa in complex with M55113
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQI
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BU of 1iqi by Molmil
Human coagulation factor Xa in complex with M55125
Descriptor: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID, CALCIUM ION, coagulation Factor Xa
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-07-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IOE
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BU of 1ioe by Molmil
Human coagulation factor Xa in complex with M55532
Descriptor: (-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-2(3H),4'-PIPERIDIN]-5-ONE, CALCIUM ION, COAGULATION FACTOR XA
Authors:Shiromizu, I, Matsusue, T.
Deposit date:2001-03-08
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Factor Xa Specific Inhibitor That Induces the Novel Binding Model In Complex With Human FXa
To be Published
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
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
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
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

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