5W7A
 
 | | Rabbit acyloxyacyl hydrolase (AOAH), proteolytically processed, S262A mutant, with LPS (low quality saposin domain) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-HYDROXY-TETRADECANOIC ACID, ... | | 著者 | Gorelik, A, Illes, K, Nagar, B. | | 登録日 | 2017-06-19 | | 公開日 | 2018-01-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the mammalian lipopolysaccharide detoxifier.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5UBM
 | |
5WXT
 | | Crystal structure of uPA-S195A in complex with S2444 | | 分子名称: | (2R)-N-[2-[[(2S)-1-[[4-[bis(oxidanyl)amino]phenyl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide, Urokinase-type plasminogen activator chain B | | 著者 | Jiang, L, Huang, M. | | 登録日 | 2017-01-08 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of uPA-S195A in complex with S2444
To Be Published
|
|
5W7B
 | | Rabbit acyloxyacyl hydrolase (AOAH), proteolytically processed, S262A mutant, with LPS | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Gorelik, A, Illes, K, Nagar, B. | | 登録日 | 2017-06-19 | | 公開日 | 2018-01-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of the mammalian lipopolysaccharide detoxifier.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
8GM3
 | | Vibrio harveyi Holo HphA | | 分子名称: | HEME B/C, Hemophilin | | 著者 | Pan, C, Shah, M, Moraes, T.F. | | 登録日 | 2023-03-24 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.727 Å) | | 主引用文献 | Prevalence of Slam-dependent hemophilins in Gram-negative bacteria.
J.Bacteriol., 206, 2024
|
|
3QN7
 | | Potent and selective bicyclic peptide inhibitor (UK18) of human urokinase-type plasminogen activator(uPA) | | 分子名称: | 1,3,5-tris(bromomethyl)benzene, Bicyclic peptide inhibitor, Urokinase-type plasminogen activator | | 著者 | Angelini, A, Cendron, L, Touati, J, Winter, G, Zanotti, G, Heinis, C. | | 登録日 | 2011-02-08 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Bicyclic peptide inhibitor reveals large contact interface with a protease target
Acs Chem.Biol., 7, 2012
|
|
4LZI
 | | Characterization of Solanum tuberosum Multicystatin and Significance of Core Domains | | 分子名称: | Multicystatin | | 著者 | Nissen, M.S, Kumar, G.N, Green, A.R, Knowles, N.R, Kang, C. | | 登録日 | 2013-07-31 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Characterization of Solanum tuberosum Multicystatin and the Significance of Core Domains.
Plant Cell, 25, 2013
|
|
3TH4
 | | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ | | 分子名称: | CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ... | | 著者 | Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P. | | 登録日 | 2011-08-18 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
To be Published
|
|
3SV2
 | | Human Thrombin In Complex With UBTHR105 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-07-12 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
|
|
3TK5
 | | Factor Xa in complex with D102-4380 | | 分子名称: | 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid, CALCIUM ION, Factor X heavy chain, ... | | 著者 | Suzuki, M, Mochizuki, A, Nagata, T, Takano, H, Kanno, H, Kishida, M, Ohta, T. | | 登録日 | 2011-08-25 | | 公開日 | 2012-08-29 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Zwitter ionic potent durable orally active Factor Xa inhibitor.
To be Published
|
|
3U9A
 | | Human Thrombin In Complex With MI330 | | 分子名称: | (2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-10-18 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Thrombin Inhibition
To be Published
|
|
3SW2
 | | X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide | | 分子名称: | 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X, ... | | 著者 | Klei, H.E. | | 登録日 | 2011-07-13 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3TH3
 | | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+ | | 分子名称: | CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ... | | 著者 | Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P. | | 登録日 | 2011-08-18 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla)
Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
To be Published
|
|
3SOS
 | | Benzothiazinone inhibitor in complex with FXIa | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, Coagulation factor XI, ... | | 著者 | Fradera, X, Kazemier, B, Oubrie, A. | | 登録日 | 2011-06-30 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
|
|
3URE
 | |
3URC
 | | T181G mutant of alpha-Lytic Protease | | 分子名称: | Alpha-lytic protease, GLYCEROL, SULFATE ION | | 著者 | Kelch, B.A, Agard, D.A. | | 登録日 | 2011-11-22 | | 公開日 | 2012-05-23 | | 最終更新日 | 2019-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Functional modulation of a protein folding landscape via side-chain distortion.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3T5F
 | | Human Thrombin In Complex With MI340 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-07-27 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
|
|
3SOR
 | | Factor XIa in complex with a clorophenyl-tetrazole inhibitor | | 分子名称: | CITRIC ACID, Coagulation factor XI, {4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid | | 著者 | Kazemier, B, Oubrie, A. | | 登録日 | 2011-06-30 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
|
|
3SHC
 | | Human Thrombin In Complex With UBTHR101 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide, Hirudin variant-2, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-06-16 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
|
|
3SI3
 | | Human Thrombin In Complex With UBTHR103 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-06-17 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
|
|
3T2N
 | | Human hepsin protease in complex with the Fab fragment of an inhibitory antibody | | 分子名称: | Antibody, Fab fragment, Heavy Chain, ... | | 著者 | Koschubs, T, Dengl, S, Duerr, H, Kaluza, K, Georges, G, Hartl, C, Jennewein, S, Lanzendoerfer, M, Auer, J, Stern, A, Huang, K.-S, Kostrewa, D, Ries, S, Hansen, S, Kohnert, U, Cramer, P, Mundigl, O. | | 登録日 | 2011-07-22 | | 公開日 | 2011-12-28 | | 最終更新日 | 2012-07-25 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Allosteric antibody inhibition of human hepsin protease.
Biochem.J., 442, 2012
|
|
3SHA
 | | Human Thrombin In Complex With UBTHR97 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-06-16 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
|
|
3U69
 | | Unliganded wild-type human thrombin | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Figueiredo, A.C, Clement, C.C, Philipp, M, Barbosa Pereira, P.J. | | 登録日 | 2011-10-12 | | 公開日 | 2012-04-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
|
|
3U8O
 | | Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | | 登録日 | 2011-10-17 | | 公開日 | 2012-05-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
|
|
3VXF
 | | X/N Joint refinement of Human alpha-thrombin-Bivalirudin complex PD5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BIVALIRUDIN, Thrombin heavy chain, ... | | 著者 | Yamada, T, Kurihara, K, Masumi, K, Tamada, T, Tomoyori, K, Ohnishi, Y, Tanaka, I, Kuroki, R, Niimura, N. | | 登録日 | 2012-09-12 | | 公開日 | 2013-09-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | NEUTRON DIFFRACTION (1.602 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron and X-ray crystallographic analysis of the human alpha-thrombin-bivalirudin complex at pD 5.0: protonation states and hydration structure of the enzyme-product complex
Biochim.Biophys.Acta, 1834, 2013
|
|
