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4EST
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BU of 4est by Molmil
CRYSTAL STRUCTURE OF THE COVALENT COMPLEX FORMED BY A PEPTIDYL ALPHA,ALPHA-DIFLUORO-BETA-KETO AMIDE WITH PORCINE PANCREATIC ELASTASE AT 1.78-ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, ELASTASE, INHIBITOR ACE-ALA-PRO-VAI-DIFLUORO-N-PHENYLETHYLACETAMIDE, ...
著者Takahashi, L.H, Radhakrishnan, R, Rosenfieldjunior, R.E, Meyerjunior, E.F, Trainor, D.A.
登録日1989-05-15
公開日1992-04-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal Structure of the Covalent Complex Formed by a Peptidyl Alpha,Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution
J.Am.Chem.Soc., 111, 1989
5MJT
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Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Hirudin variant-2, ...
著者Marca, A, Sandner, A, Heine, A, Klebe, G.
登録日2016-12-01
公開日2017-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Thrombin Mutant A190S in complex with (S) -1 - ((R) -2-amino-3,3-diphenylpropanoyl) -N- (3-chlorobenzyl) pyrrolidine-2-carboxamide
to be published
5MRS
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BU of 5mrs by Molmil
Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A.
登録日2016-12-26
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
To Be Published
4FU9
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BU of 4fu9 by Molmil
Crystal Structure of the Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Urokinase
To be Published
4FUF
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BU of 4fuf by Molmil
Crystal Structure of the Urokinase
分子名称: 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4GAW
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BU of 4gaw by Molmil
Crystal structure of active human granzyme H
分子名称: CHLORIDE ION, Granzyme H, SULFATE ION
著者Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
登録日2012-07-25
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4FUC
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BU of 4fuc by Molmil
Crystal Structure of the Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FU8
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BU of 4fu8 by Molmil
Crystal Structure of the Urokinase
分子名称: ACETATE ION, SUCCINIC ACID, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FUI
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BU of 4fui by Molmil
Crystal Structure of the Urokinase
分子名称: 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE, GLYCEROL, SODIUM ION, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4E05
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BU of 4e05 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
著者Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
登録日2012-03-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DW2
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BU of 4dw2 by Molmil
The crystal structure of uPA in complex with the Fab fragment of mAb-112
分子名称: Fab fragment of pro-uPA antibody mAb-112, SULFATE ION, Urokinase-type plasminogen activator
著者Jiang, L, Botkjaer, K.A, Andersen, L.M, Yuan, C, Andreasen, P.A, Huang, M.
登録日2012-02-24
公開日2013-01-16
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Rezymogenation of active urokinase induced by an inhibitory antibody.
Biochem.J., 449, 2013
5NB7
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BU of 5nb7 by Molmil
Complement factor D
分子名称: 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide, Complement factor D, DIMETHYL SULFOXIDE
著者Mac Sweeney, A, Ostermann, N.
登録日2017-03-01
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
4FUG
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BU of 4fug by Molmil
Crystal Structure of the Urokinase
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FUH
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BU of 4fuh by Molmil
Crystal Structure of the Urokinase
分子名称: 6-[(phenylcarbamoyl)amino]naphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Urokinase
to be published
5NAR
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BU of 5nar by Molmil
Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D, SULFATE ION
著者Mac Sweeney, A, Ostermann, N.
登録日2017-02-28
公開日2017-06-28
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NAW
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BU of 5naw by Molmil
Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-02-28
公開日2017-06-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NHU
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BU of 5nhu by Molmil
HUMAN ALPHA THROMBIN COMPLEXED WITH ANOPHELES GAMBIAE cE5 ANTICOAGULANT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AGAP008004-PA, Prothrombin, ...
著者Ripoll-Rozada, J, Pereira, P.J.B.
登録日2017-03-22
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Functional analyses yield detailed insight into the mechanism of thrombin inhibition by the antihemostatic salivary protein cE5 from Anopheles gambiae.
J. Biol. Chem., 292, 2017
4DIH
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BU of 4dih by Molmil
X-ray structure of the complex between human alpha thrombin and thrombin binding aptamer in the presence of sodium ions
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F.
登録日2012-01-31
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity.
Nucleic Acids Res., 40, 2012
5NBA
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BU of 5nba by Molmil
Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-03-01
公開日2017-06-28
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
4DVA
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BU of 4dva by Molmil
The crystal structure of human urokinase-type plasminogen activator catalytic domain
分子名称: HEXAETHYLENE GLYCOL, SULFATE ION, Urokinase-type plasminogen activator
著者Jiang, L, Botkjaer, K.A, Andersen, L.M, Yuan, C, Andreasen, P.A, Huang, M.
登録日2012-02-23
公開日2013-01-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Rezymogenation of active urokinase induced by an inhibitory antibody
Biochem.J., 449, 2013
5NB6
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BU of 5nb6 by Molmil
Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-03-01
公開日2017-06-28
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
5NAT
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BU of 5nat by Molmil
Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D, GLYCEROL
著者Mac Sweeney, A, Ostermann, N.
登録日2017-02-28
公開日2018-03-21
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J.Med.Chem., 60, 2017
2FWW
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BU of 2fww by Molmil
human beta-tryptase II complexed with 4-piperidinebutyrate to make acylenzyme
分子名称: 4-PIPERIDINEBUTYRATE, Tryptase beta-2
著者Katz, B.A.
登録日2006-02-03
公開日2006-02-14
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
4GSO
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BU of 4gso by Molmil
structure of Jararacussin-I
分子名称: Thrombin-like enzyme BjussuSP-1
著者Ullah, A, Souza, T.C.A.B, Zanphorlin, L.M, Mariutti, R, Sanata, S.V, Murakami, M.T, Arni, R.K.
登録日2012-08-28
公開日2012-12-12
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Jararacussin-I: The highly negatively charged catalytic interface contributes to macromolecular selectivity in snake venom thrombin-like enzymes.
Protein Sci., 22, 2013
5MM6
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Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
分子名称: D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Marca, A, Sandner, A, Heine, A, Klebe, G.
登録日2016-12-08
公開日2017-12-20
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
to be published

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