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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
分子名称: (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, ...
著者Suzuki, M.
登録日2003-11-07
公開日2004-11-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
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
分子名称: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
著者Suzuki, M.
登録日2004-11-29
公開日2005-11-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
1SIJ
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BU of 1sij by Molmil
Crystal structure of the Aldehyde Dehydrogenase (a.k.a. AOR or MOP) of Desulfovibrio gigas covalently bound to [AsO3]-
分子名称: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ARSENITE, Aldehyde oxidoreductase, ...
著者Boer, D.R, Thapper, A, Brondino, C.D, Romao, M.J, Moura, J.J.G.
登録日2004-03-01
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray Crystal Structure and EPR Spectra of "Arsenite-Inhibited" Desulfovibriogigas Aldehyde Dehydrogenase: A Member of the Xanthine Oxidase Family
J.Am.Chem.Soc., 126, 2004
3GSS
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BU of 3gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE, ...
著者Oakley, A.J, Rossjohn, J, Parker, M.W.
登録日1996-10-29
公開日1997-11-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate.
Biochemistry, 36, 1997
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
分子名称: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
著者Kamata, K, Kim, S.H.
登録日1998-03-19
公開日1999-03-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID, BLOOD COAGULATION FACTOR XA, CALCIUM ION
著者Kamata, K, Kim, S.H.
登録日1998-03-19
公開日1999-03-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for chemical inhibition of human blood coagulation factor Xa.
Proc.Natl.Acad.Sci.USA, 95, 1998
1PST
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BU of 1pst by Molmil
CRYSTALLOGRAPHIC ANALYSES OF SITE-DIRECTED MUTANTS OF THE PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
著者Chirino, A.J, Feher, G, Rees, D.C.
登録日1993-12-13
公開日1994-04-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analyses of site-directed mutants of the photosynthetic reaction center from Rhodobacter sphaeroides.
Biochemistry, 33, 1994
1PSS
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BU of 1pss by Molmil
CRYSTALLOGRAPHIC ANALYSES OF SITE-DIRECTED MUTANTS OF THE PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
著者Chirino, A.J, Feher, G, Rees, D.C.
登録日1993-12-13
公開日1994-04-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analyses of site-directed mutants of the photosynthetic reaction center from Rhodobacter sphaeroides.
Biochemistry, 33, 1994
2PGT
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BU of 2pgt by Molmil
CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
分子名称: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, ...
著者Ji, X.
登録日1997-02-17
公開日1997-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
Biochemistry, 36, 1997
2VFO
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BU of 2vfo by Molmil
Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125L
分子名称: CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ...
著者Becker, M, Mueller, J.J, Heinemann, U, Seckler, R.
登録日2007-11-05
公開日2008-12-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
1EAX
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BU of 1eax by Molmil
Crystal structure of MTSP1 (matriptase)
分子名称: BENZAMIDINE, SULFATE ION, SUPPRESSOR OF TUMORIGENICITY 14
著者Friedrich, R, Bode, W.
登録日2001-07-17
公開日2002-01-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Catalytic Domain Structures of Mt-Sp1/Matriptase, a Matrix-Degrading Transmembrane Serine Proteinase.
J.Biol.Chem., 277, 2002
1ZFI
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BU of 1zfi by Molmil
Solution structure of the leech carboxypeptidase inhibitor
分子名称: Metallocarboxypeptidase inhibitor
著者Arolas, J.L, D'Silva, L, Popowicz, G.M, Aviles, F.X, Holak, T.A, Ventura, S.
登録日2005-04-20
公開日2005-09-13
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor
STRUCTURE, 13, 2005
1ZFL
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BU of 1zfl by Molmil
Solution structure of III-A, the major intermediate in the oxidative folding of leech carboxypeptidase inhibitor
分子名称: Metallocarboxypeptidase inhibitor
著者Arolas, J.L, D'Silva, L, Popowicz, G.M, Aviles, F.X, Holak, T.A, Ventura, S.
登録日2005-04-20
公開日2005-09-13
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor
STRUCTURE, 13, 2005
1EAW
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BU of 1eaw by Molmil
Crystal structure of the MTSP1 (matriptase)-BPTI (aprotinin) complex
分子名称: PANCREATIC TRYPSIN INHIBITOR, SUPPRESSOR OF TUMORIGENICITY 14
著者Friedrich, R, Bode, W.
登録日2001-07-17
公開日2002-01-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Catalytic Domain Structures of Mt-Sp1/Matriptase, a Matrix-Degrading Transmembrane Serine Proteinase.
J.Biol.Chem., 277, 2002
1PPC
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BU of 1ppc by Molmil
GEOMETRY OF BINDING OF THE BENZAMIDINE-AND ARGININE-BASED INHIBITORS N-ALPHA-(2-NAPHTHYL-SULPHONYL-GLYCYL)-DL-P-AMIDINOPHENYLALANYL-PIPERIDINE (NAPAP) AND (2R,4R)-4-METHYL-1-[N-ALPHA-(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINESULPHONYL)-L-ARGINYL]-2-PIPERIDINE CARBOXYLIC ACID (MQPA) TO HUMAN ALPHA-THROMBIN: X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE NAPAP-TRYPSIN COMPLEX AND MODELING OF NAPAP-THROMBIN AND MQPA-THROMBIN
分子名称: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, CALCIUM ION, TRYPSIN
著者Bode, W, Turk, D.
登録日1991-10-24
公開日1994-01-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydr quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin.X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin.
Eur.J.Biochem., 193, 1990
1IQH
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BU of 1iqh by Molmil
Human coagulation factor Xa in complex with M55143
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQK
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BU of 1iqk by Molmil
Human coagulation factor Xa in complex with M55113
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQI
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Human coagulation factor Xa in complex with M55125
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1GUH
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BU of 1guh by Molmil
Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the MU and PI class enzymes
分子名称: GLUTATHIONE S-TRANSFERASE A1-1, S-BENZYL-GLUTATHIONE
著者Sinning, I, Kleywegt, G.J, Jones, T.A.
登録日1993-02-24
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the Mu and Pi class enzymes.
J.Mol.Biol., 232, 1993
1UMA
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ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUDIN I, ...
著者Nardini, M, Pesce, A, Rizzi, M, Casale, E, Ferraccioli, R, Balliano, G, Milla, P, Ascenzi, P, Bolognesi, M.
登録日1996-03-26
公開日1996-11-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study.
J.Mol.Biol., 258, 1996
1HGT
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BU of 1hgt by Molmil
STRUCTURE OF THE HIRUGEN AND HIRULOG 1 COMPLEXES OF ALPHA-THROMBIN
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN
著者Tulinsky, A, Skrzypczak-Jankun, E.
登録日1991-06-03
公開日1994-01-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the hirugen and hirulog 1 complexes of alpha-thrombin.
J.Mol.Biol., 221, 1991
1IOE
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BU of 1ioe by Molmil
Human coagulation factor Xa in complex with M55532
分子名称: (-)-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
著者Shiromizu, I, Matsusue, T.
登録日2001-03-08
公開日2003-09-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Factor Xa Specific Inhibitor That Induces the Novel Binding Model In Complex With Human FXa
To be Published
2PVB
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BU of 2pvb by Molmil
PIKE PARVALBUMIN (PI 4.10) AT LOW TEMPERATURE (100K) AND ATOMIC RESOLUTION (0.91 A).
分子名称: AMMONIUM ION, CALCIUM ION, FORMIC ACID, ...
著者Declercq, J.P, Evrard, C.
登録日1998-10-02
公開日1998-10-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Crystal structure of the EF-hand parvalbumin at atomic resolution (0.91 A) and at low temperature (100 K). Evidence for conformational multistates within the hydrophobic core.
Protein Sci., 8, 1999
1H0H
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BU of 1h0h by Molmil
Tungsten containing Formate Dehydrogenase from Desulfovibrio Gigas
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Raaijmakers, H.C.A.
登録日2002-06-19
公開日2003-02-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Gene Sequence and the 1.8 A Crystal Structure of the Tungsten-Containing Formate Dehydrogenase from Desulfovibrio Gigas
Structure, 10, 2002
1HCG
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STRUCTURE OF HUMAN DES(1-45) FACTOR XA AT 2.2 ANGSTROMS RESOLUTION
分子名称: BLOOD COAGULATION FACTOR XA
著者Tulinsky, A, Padmanabhan, K.
登録日1993-05-05
公開日1995-05-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of human des(1-45) factor Xa at 2.2 A resolution.
J.Mol.Biol., 232, 1993

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