1T9C
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![BU of 1t9c by Molmil](/molmil-images/mine/1t9c) | Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Sulfometuron methyl | 分子名称: | Acetolactate synthase, mitochondrial, ETHYL DIHYDROGEN DIPHOSPHATE, ... | 著者 | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | 登録日 | 2004-05-16 | 公開日 | 2004-12-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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1TA6
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![BU of 1ta6 by Molmil](/molmil-images/mine/1ta6) | Crystal structure of thrombin in complex with compound 14b | 分子名称: | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE, Hirudin, thrombin | 著者 | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | 登録日 | 2004-05-19 | 公開日 | 2004-06-08 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position J.Med.Chem., 41, 1998
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8FE5
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![BU of 8fe5 by Molmil](/molmil-images/mine/8fe5) | Structure of J-PKAc chimera complexed with Aplithianine B | 分子名称: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | 登録日 | 2022-12-05 | 公開日 | 2023-10-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases. J.Nat.Prod., 86, 2023
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1T9B
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![BU of 1t9b by Molmil](/molmil-images/mine/1t9b) | Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron | 分子名称: | 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE, ... | 著者 | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | 登録日 | 2004-05-16 | 公開日 | 2004-12-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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1TA2
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![BU of 1ta2 by Molmil](/molmil-images/mine/1ta2) | Crystal structure of thrombin in complex with compound 1 | 分子名称: | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE, Hirudin, thrombin | 著者 | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | 登録日 | 2004-05-19 | 公開日 | 2004-06-08 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position J.Med.Chem., 41, 1998
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7BKY
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![BU of 7bky by Molmil](/molmil-images/mine/7bky) | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ... | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector To Be Published
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7BKR
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![BU of 7bkr by Molmil](/molmil-images/mine/7bkr) | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector To Be Published
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7BKV
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![BU of 7bkv by Molmil](/molmil-images/mine/7bkv) | Endothiapepsin structure obtained at 100K with fragment AC39729 bound | 分子名称: | 5-fluoranylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment AC39729 bound To Be Published
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1THK
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![BU of 1thk by Molmil](/molmil-images/mine/1thk) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | 分子名称: | Carbonic anhydrase II, ZINC ION | 著者 | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | 登録日 | 2004-06-01 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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7BKS
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![BU of 7bks by Molmil](/molmil-images/mine/7bks) | 100K endothiapepsin structure obtained in presence of 40 mM DMSO | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | 100K endothiapepsin structure obtained in presence of 40 mM DMSO To Be Published
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7BKU
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![BU of 7bku by Molmil](/molmil-images/mine/7bku) | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound | 分子名称: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound To Be Published
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7BKZ
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![BU of 7bkz by Molmil](/molmil-images/mine/7bkz) | Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector To Be Published
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1T9D
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![BU of 1t9d by Molmil](/molmil-images/mine/1t9d) | Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Metsulfuron methyl | 分子名称: | 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, Acetolactate synthase, mitochondrial, ... | 著者 | McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G. | 登録日 | 2004-05-16 | 公開日 | 2004-12-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase. Biochemistry, 44, 2005
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1TEX
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![BU of 1tex by Molmil](/molmil-images/mine/1tex) | Mycobacterium smegmatis Stf0 Sulfotransferase with Trehalose | 分子名称: | Stf0 Sulfotransferase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | 著者 | Mougous, J.D, Petzold, C.J, Senaratne, R.H, Lee, D.H, Akey, D.L, Lin, F.L, Munchel, S.E, Pratt, M.R, Riley, L.W, Leary, J.A, Berger, J.M, Bertozzi, C.R. | 登録日 | 2004-05-25 | 公開日 | 2004-07-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification, function and structure of the mycobacterial sulfotransferase that initiates sulfolipid-1 biosynthesis. Nat.Struct.Mol.Biol., 11, 2004
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1TG9
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![BU of 1tg9 by Molmil](/molmil-images/mine/1tg9) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | 分子名称: | Carbonic anhydrase II, ZINC ION | 著者 | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | 登録日 | 2004-05-28 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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1SZS
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![BU of 1szs by Molmil](/molmil-images/mine/1szs) | The structure of gamma-aminobutyrate aminotransferase mutant: I50Q | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | 著者 | Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D. | 登録日 | 2004-04-06 | 公開日 | 2005-03-01 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase. Biochemistry, 44, 2005
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1T1F
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![BU of 1t1f by Molmil](/molmil-images/mine/1t1f) | |
1TEL
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![BU of 1tel by Molmil](/molmil-images/mine/1tel) | Crystal structure of a RubisCO-like protein from Chlorobium tepidum | 分子名称: | ribulose bisphosphate carboxylase, large subunit | 著者 | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2004-05-25 | 公開日 | 2004-10-05 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of a RubisCO-like protein from Chlorobium tepidum To be Published
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1TG3
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![BU of 1tg3 by Molmil](/molmil-images/mine/1tg3) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | 分子名称: | Carbonic anhydrase II, SULFATE ION, ZINC ION | 著者 | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | 登録日 | 2004-05-28 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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1TBT
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![BU of 1tbt by Molmil](/molmil-images/mine/1tbt) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | 分子名称: | Carbonic anhydrase II, ZINC ION | 著者 | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | 登録日 | 2004-05-20 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II. Biochemistry, 44, 2005
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1TH9
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![BU of 1th9 by Molmil](/molmil-images/mine/1th9) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | 分子名称: | Carbonic anhydrase II, SULFATE ION, ZINC ION | 著者 | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | 登録日 | 2004-06-01 | 公開日 | 2005-01-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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1THO
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![BU of 1tho by Molmil](/molmil-images/mine/1tho) | |
1SZX
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![BU of 1szx by Molmil](/molmil-images/mine/1szx) | Role Of Hydrogen Bonding In The Active Site Of Human Manganese Superoxide Dismutase | 分子名称: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | 著者 | Greenleaf, W.B, Perry, J.J, Hearn, A.S, Cabelli, D.E, Lepock, J.R, Stroupe, M.E, Tainer, J.A, Nick, H.S, Silverman, D.N. | 登録日 | 2004-04-06 | 公開日 | 2004-04-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Role of hydrogen bonding in the active site of human manganese superoxide dismutase. Biochemistry, 43, 2004
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1T31
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![BU of 1t31 by Molmil](/molmil-images/mine/1t31) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | 登録日 | 2004-04-23 | 公開日 | 2005-03-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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1TB6
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![BU of 1tb6 by Molmil](/molmil-images/mine/1tb6) | 2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Li, W, Johnson, D.J, Esmon, C.T, Huntington, J.A. | 登録日 | 2004-05-19 | 公開日 | 2004-08-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin. Nat.Struct.Mol.Biol., 11, 2004
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