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PDB: 411 件
4NA8
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Factor XIa in complex with the inhibitor 5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid
分子名称: 1,2-ETHANEDIOL, 5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid, Coagulation factor XI, ...
著者Wei, A.
登録日2013-10-21
公開日2014-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
J.Med.Chem., 57, 2014
4NGA
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BU of 4nga by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-11-01
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4NG9
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Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-11-01
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4ZXX
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FACTOR VIIA IN COMPLEX WITH THE INHIBITOR N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide
分子名称: CALCIUM ION, Coagulation factor VIIa heavy chain, Coagulation factor VIIa light chain, ...
著者Wei, A.
登録日2015-05-20
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors.
J.Med.Chem., 58, 2015
4ZXY
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FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, CALCIUM ION, Coagulation factor VIIa heavy chain, ...
著者Wei, A.
登録日2015-05-20
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors.
J.Med.Chem., 58, 2015
4YT6
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Factor VIIa in complex with the inhibitor 4-{[(R)-[5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl](4-phenyl-1H-imidazol-2-yl)methyl]amino}benzenecarboximidamide
分子名称: 4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide, CALCIUM ION, Coagulation factor VII (heavy chain), ...
著者Wei, A.
登録日2015-03-17
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4YT7
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Factor VIIa in complex with the inhibitor 2-(2-{(R)-[(4-carbamimidoylphenyl)amino][5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl]methyl}-1H-imidazol-4-yl)benzamide
分子名称: 2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide, CALCIUM ION, Coagulation factor VII (heavy chain), ...
著者Wei, A.
登録日2015-03-17
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1KIG
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BU of 1kig by Molmil
BOVINE FACTOR XA
分子名称: ANTICOAGULANT PEPTIDE, FACTOR XA
著者Wei, A, Alexander, R, Chang, C.-H.
登録日1997-04-24
公開日1998-10-28
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Unexpected binding mode of tick anticoagulant peptide complexed to bovine factor Xa.
J.Mol.Biol., 283, 1998
4JZF
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BU of 4jzf by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
4JZE
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BU of 4jze by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
4ISI
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BU of 4isi by Molmil
Structure of FACTOR VIIA in complex with the inhibitor (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE
分子名称: (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide, CALCIUM ION, Factor VII heavy chain, ...
著者Wei, A.
登録日2013-01-16
公開日2013-02-27
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JYU
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BU of 4jyu by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide, CALCIUM ION, Factor VII heavy chain, ...
著者Wei, A, Anumula, R.
登録日2013-04-01
公開日2013-07-24
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JYV
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BU of 4jyv by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE
分子名称: (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide, CALCIUM ION, Factor VII heavy chain, ...
著者Wei, A, Anumula, R.
登録日2013-04-01
公開日2013-07-24
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4ISH
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BU of 4ish by Molmil
Structure of FACTOR VIIA in complex with the inhibitor BMS-593214 also known as 2'-[(6R,6AR,11BR)-2-CARBAMIMIDOYL-6,6A,7,11B-TETRAHYDRO-5H-INDENO[2,1-C]QUINOLIN-6-YL]-5'-HYDROXY-4'-METHOXYBIPHENYL-4-CARBOXYLIC ACID
分子名称: 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid, CALCIUM ION, Factor VII heavy chain, ...
著者Wei, A.
登録日2013-01-16
公開日2013-03-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
3QWR
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BU of 3qwr by Molmil
Crystal structure of IL-23 in complex with an adnectin
分子名称: ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
著者Wei, A, Sheriff, S.
登録日2011-02-28
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
4V5E
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BU of 4v5e by Molmil
Insights into translational termination from the structure of RF2 bound to the ribosome
分子名称: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Weixlbaumer, A, Jin, H, Neubauer, C, Voorhees, R.M, Petry, S, Kelley, A.C, Ramakrishnan, V.
登録日2009-04-30
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Insights Into Translational Termination from the Structure of Rf2 Bound to the Ribosome.
Science, 322, 2008
4V5A
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Structure of the Ribosome Recycling Factor bound to the Thermus thermophilus 70S ribosome with mRNA, ASL-Phe and tRNA-fMet
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Weixlbaumer, A, Petry, S, Dunham, C.M, Selmer, M, Kelley, A.C, Ramakrishnan, V.
登録日2007-06-28
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of the ribosome recycling factor bound to the ribosome.
Nat. Struct. Mol. Biol., 14, 2007
2ACP
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BU of 2acp by Molmil
Crystal structure of nitrophorin 2 aqua complex
分子名称: Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE
著者Weichsel, A, Berry, R.E, Walker, F.A, Montfort, W.R.
登録日2005-07-19
公開日2006-06-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structures, ligand induced conformational change and heme deformation in complexes of nitrophorin 2, a nitric oxide transport protein from rhodnius prolixus
To be Published
2A3F
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BU of 2a3f by Molmil
Crystal structure of nitrophorin 2 aqua complex
分子名称: Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE
著者Weichsel, A, Berry, R.E, Walker, F.A, Montfort, W.R.
登録日2005-06-24
公開日2006-06-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structures, ligand induced conformational change and heme deformation in complexes of nitrophorin 2, a nitric oxide transport protein from rhodnius prolixus.
To be Published
2AL0
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BU of 2al0 by Molmil
Crystal structure of nitrophorin 2 ferrous aqua complex
分子名称: CITRIC ACID, Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE
著者Weichsel, A, Berry, R.E, Walker, F.A, Montfort, W.R.
登録日2005-08-04
公開日2006-07-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures, ligand induced conformational change and heme deformation in complexes of nitrophorin 2, a nitric oxide transport protein from rhodnius prolixus
To be Published
4WJW
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BU of 4wjw by Molmil
Crystal Structure of the Chs5-Chs6 Exomer Cargo Adaptor Complex Bound to portion of Chs3
分子名称: CHITIN SYNTHASE 3, Chitin biosynthesis protein CHS5, Chitin biosynthesis protein CHS6
著者Weiskoff, A.M, Fromme, J.C.
登録日2014-10-01
公開日2014-10-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Distinct N-terminal regions of the exomer secretory vesicle cargo Chs3 regulate its trafficking itinerary.
Front Cell Dev Biol, 2, 2014
1CC8
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BU of 1cc8 by Molmil
CRYSTAL STRUCTURE OF THE ATX1 METALLOCHAPERONE PROTEIN
分子名称: BENZAMIDINE, MERCURY (II) ION, PROTEIN (METALLOCHAPERONE ATX1)
著者Rosenzweig, A.C, Huffman, D.L, Pufahl, M.Y.R.A, Hou, T.V.O, Wernimont, A.K.
登録日1999-03-04
公開日1999-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Crystal structure of the Atx1 metallochaperone protein at 1.02 A resolution.
Structure Fold.Des., 7, 1999
1CC7
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CRYSTAL STRUCTURE OF THE ATX1 METALLOCHAPERONE PROTEIN
分子名称: BENZAMIDINE, PROTEIN (METALLOCHAPERONE ATX1)
著者Rosenzweig, A.C, Huffman, D.L, Pufahl, M.Y.R.A, Hou, T.V.O, Wernimont, A.K.
登録日1999-03-04
公開日1999-12-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of the Atx1 metallochaperone protein at 1.02 A resolution.
Structure Fold.Des., 7, 1999
3M9J
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BU of 3m9j by Molmil
Crystal structure of human thioredoxin C69/73S double mutant, reduced form
分子名称: Thioredoxin
著者Weichsel, A, Montfort, W.R.
登録日2010-03-22
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site.
Protein Sci., 19, 2010
3M9K
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Crystal structure of human thioredoxin C69/73S double-mutant, oxidized form
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, SULFATE ION, Thioredoxin
著者Weichsel, A, Montfort, W.R.
登録日2010-03-22
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site.
Protein Sci., 19, 2010

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