7WML
 
 | | A novel chemical derivative(85) of THRB agonist | | 分子名称: | 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2022-01-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WMG
 | | A novel chemical derivative(52) of THRB agonist | | 分子名称: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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6KKB
 | | A novel agonist of THRb | | 分子名称: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, SRC2-3, Thyroid hormone receptor beta | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2019-07-24 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
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1FPH
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1FPC
 | | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | | 分子名称: | Hirudin, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium, thrombin | | 著者 | Tulinsky, A, Mathews, I.I. | | 登録日 | 1994-10-16 | | 公開日 | 1995-02-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
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6EO8
 | | Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor | | 分子名称: | DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ... | | 著者 | Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D. | | 登録日 | 2017-10-09 | | 公開日 | 2017-12-13 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
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6EO6
 | | X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA63A - TBA MODIFIED APTAMER, ... | | 著者 | Dolot, R.M, Nawrot, B, Yang, X. | | 登録日 | 2017-10-09 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
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6V5T
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6V64
 | | Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan | | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ... | | 著者 | Ruben, E.A, Chen, Z, Di Cera, E. | | 登録日 | 2019-12-04 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | 19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
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7MJ5
 | | complex of human thrombin with XC-43 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Putative secreted salivary protein, SODIUM ION, ... | | 著者 | Lu, S, Tirloni, L, Andersen, J.F. | | 登録日 | 2021-04-19 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification of a substrate-like cleavage-resistant thrombin inhibitor from the saliva of the flea Xenopsylla cheopis.
J.Biol.Chem., 297, 2021
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5Z5W
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8UF7
 | | Cryo-EM structure of POmAb, a Type-I anti-prothrombin antiphospholipid antibody, bound to kringle-1 of human prothrombin | | 分子名称: | POmAb Heavy Chain, POmAb Light Chain, Prothrombin | | 著者 | Kumar, S, Summers, B, Basore, K, Pozzi, N. | | 登録日 | 2023-10-03 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-EM structure and functional basis of prothrombin recognition by a type I antiprothrombin antiphospholipid antibody.
Blood, 143, 2024
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5Z5X
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7NTU
 | | X-ray structure of the complex between human alpha thrombin and two duplex/quadruplex aptamers: NU172 and HD22_27mer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD22_27mer, ... | | 著者 | Troisi, R, Santamaria, A, Sica, F. | | 登録日 | 2021-03-10 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human alpha-thrombin.
Int.J.Biol.Macromol., 181, 2021
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8TQS
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5TO3
 | | Crystal structure of thrombin mutant W215A/E217A fused to EGF456 of thrombomodulin via a 31-residue linker and bound to PPACK | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | 著者 | Barranco-Medina, S, Murphy, M, Pelc, L, Chen, Z, Di Cera, E, Pozzi, N. | | 登録日 | 2016-10-16 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Rational Design of Protein C Activators.
Sci Rep, 7, 2017
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5GDS
 | | HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM V | | 著者 | De Simone, G, Lombardi, A, Galdiero, S, Nastri, F, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V. | | 登録日 | 1997-07-17 | | 公開日 | 1998-01-21 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex.
Protein Sci., 7, 1998
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4NZQ
 | | Crystal structure of Ca2+-free prothrombin deletion mutant residues 146-167 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | | 著者 | Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E. | | 登録日 | 2013-12-12 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.807 Å) | | 主引用文献 | The linker connecting the two kringles plays a key role in prothrombin activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4O03
 | | Crystal structure of Ca2+ bound prothrombin deletion mutant residues 146-167 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Prothrombin | | 著者 | Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E. | | 登録日 | 2013-12-13 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (3.38 Å) | | 主引用文献 | The linker connecting the two kringles plays a key role in prothrombin activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5GIM
 | | Crystal structure of thrombin-avathrin complex | | 分子名称: | C-terminal peptide from Putative uncharacterized protein avahiru, N-terminal peptide from Putative uncharacterized protein avahiru, Thrombin light chain, ... | | 著者 | Kini, R.M, Koh, C.Y, Iyer, J.K, Swaminathan, K. | | 登録日 | 2016-06-24 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Avathrin: a novel thrombin inhibitor derived from a multicopy precursor in the salivary glands of the ixodid tick, Amblyomma variegatum.
FASEB J., 31, 2017
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5JDU
 | | Crystal structure for human thrombin mutant D189A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | 著者 | Pozzi, N, Chen, Z, Di Cera, E. | | 登録日 | 2016-04-17 | | 公開日 | 2016-07-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
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5MLS
 | | Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide | | 分子名称: | D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Marca, A, Sandner, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-07 | | 公開日 | 2017-12-20 | | 最終更新日 | 2018-06-13 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Thrombin Mutante A190S in complex with (S)-1-((R)-2-amino-3,3-diphenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
to be published
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3U8R
 | | Human thrombin complexed with D-Phe-Pro-D-Arg-Ile | | 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, 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 (1.47 Å) | | 主引用文献 | Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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5MJT
 | | 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
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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
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