4IGJ
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![BU of 4igj by Molmil](/molmil-images/mine/4igj) | Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, target EFI-507175 | 分子名称: | Maleylacetoacetate isomerase, SULFATE ION | 著者 | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C. | 登録日 | 2012-12-17 | 公開日 | 2013-01-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, target EFI-507175 To be Published
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1SYF
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![BU of 1syf by Molmil](/molmil-images/mine/1syf) | ENGINEERING ALTERNATIVE BETA-TURN TYPES IN STAPHYLOCOCCAL NUCLEASE | 分子名称: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | 著者 | Hynes, T.R, Hodel, A, Fox, R.O. | 登録日 | 1994-01-07 | 公開日 | 1994-07-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Engineering alternative beta-turn types in staphylococcal nuclease. Biochemistry, 33, 1994
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1SY6
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![BU of 1sy6 by Molmil](/molmil-images/mine/1sy6) | Crystal Structure of CD3gammaepsilon Heterodimer in Complex with OKT3 Fab Fragment | 分子名称: | OKT3 Fab heavy chain, OKT3 Fab light chain, T-cell surface glycoprotein CD3 gamma/epsilon chain | 著者 | Kjer-Nielsen, L, Dunstone, M.A, Kostenko, L, Ely, L.K, Beddoe, T, Misfud, N.A, Purcell, A.W, Brooks, A.G, McCluskey, J, Rossjohn, J. | 登録日 | 2004-03-31 | 公開日 | 2004-05-25 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of the human T cell receptor CD3(epsilon)(gamma) heterodimer complexed to the therapeutic mAb OKT3. Proc.Natl.Acad.Sci.USA, 101, 2004
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6W5F
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![BU of 6w5f by Molmil](/molmil-images/mine/6w5f) | Class D beta-lactamase BSU-2 delta mutant | 分子名称: | 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ... | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | 登録日 | 2020-03-13 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases. J.Struct.Biol., 211, 2020
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5JY5
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![BU of 5jy5 by Molmil](/molmil-images/mine/5jy5) | Crystal structure of Thioredoxin 1 from Cryptococcus neoformans at 1.8 Angstroms resolution | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | 著者 | Bravo-Chaucanes, C.P, Abadio, A.K.R, Kioshima, E.S, Felipe, M.S.S, Barbosa, J.A.R.G. | 登録日 | 2016-05-13 | 公開日 | 2017-06-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of Thioredoxin 1 from Cryptococcus neoformans at 1.8 Angstroms resolution To Be Published
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1T0F
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![BU of 1t0f by Molmil](/molmil-images/mine/1t0f) | Crystal Structure of the TnsA/TnsC(504-555) complex | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, MALONIC ACID, ... | 著者 | Ronning, D.R, Li, Y, Perez, Z.N, Ross, P.D, Hickman, A.B, Craig, N.L, Dyda, F. | 登録日 | 2004-04-08 | 公開日 | 2004-11-09 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The carboxy-terminal portion of TnsC activates the Tn7 transposase through a specific interaction with TnsA. Embo J., 23, 2004
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2UZ5
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![BU of 2uz5 by Molmil](/molmil-images/mine/2uz5) | Solution structure of the fkbp-domain of Legionella pneumophila Mip | 分子名称: | MACROPHAGE INFECTIVITY POTENTIATOR | 著者 | Ceymann, A, Horstmann, M, Ehses, P, Schweimer, K, Steinert, M, Kamphausen, T, Fischer, G, Hacker, J, Rosch, P, Faber, C. | 登録日 | 2007-04-25 | 公開日 | 2007-06-12 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Domain Motions of the Mip Protein from Legionella Pneumophila Biochemistry, 45, 2006
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2I91
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![BU of 2i91 by Molmil](/molmil-images/mine/2i91) | |
1T25
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![BU of 1t25 by Molmil](/molmil-images/mine/1t25) | Plasmodium falciparum lactate dehydrogenase complexed with NADH and 3-hydroxyisoxazole-4-carboxylic acid | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID, GLYCEROL, ... | 著者 | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | 登録日 | 2004-04-20 | 公開日 | 2004-05-11 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem., 279, 2004
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2VCD
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![BU of 2vcd by Molmil](/molmil-images/mine/2vcd) | Solution structure of the FKBP-domain of Legionella pneumophila Mip in complex with rapamycin | 分子名称: | Outer membrane protein MIP, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | 著者 | Ceymann, A, Horstmann, M, Ehses, P, Schweimer, K, Paschke, A.-K, Fischer, G, Roesch, P, Faber, C. | 登録日 | 2007-09-20 | 公開日 | 2008-09-02 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the Legionella pneumophila Mip-rapamycin complex. BMC Struct. Biol., 8, 2008
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6W8M
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![BU of 6w8m by Molmil](/molmil-images/mine/6w8m) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | 分子名称: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid, Nonstructural polyprotein | 著者 | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | 登録日 | 2020-03-20 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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6W8K
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![BU of 6w8k by Molmil](/molmil-images/mine/6w8k) | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | 分子名称: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | 著者 | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | 登録日 | 2020-03-20 | 公開日 | 2021-01-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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2I5Q
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![BU of 2i5q by Molmil](/molmil-images/mine/2i5q) | Crystal structure of Apo L-rhamnonate dehydratase from Escherichia Coli | 分子名称: | L-rhamnonate dehydratase | 著者 | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2006-08-25 | 公開日 | 2006-09-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase. Biochemistry, 47, 2008
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3EOR
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![BU of 3eor by Molmil](/molmil-images/mine/3eor) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, SODIUM ION, ... | 著者 | Hunter, W.N, Ramsden, N.L, Dawson, A. | 登録日 | 2008-09-29 | 公開日 | 2009-08-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3EOU
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![BU of 3eou by Molmil](/molmil-images/mine/3eou) | tRNA-guanine transglycosylase in complex with 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | 分子名称: | 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | 著者 | Ritschel, T, Heine, A, Klebe, G. | 登録日 | 2008-09-29 | 公開日 | 2009-09-15 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase Chemmedchem, 4, 2009
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3E4A
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![BU of 3e4a by Molmil](/molmil-images/mine/3e4a) | Human IDE-inhibitor complex at 2.6 angstrom resolution | 分子名称: | 1,4-DIETHYLENE DIOXIDE, ACETIC ACID, HYDROXAMATE PEPTIDE II1, ... | 著者 | Malito, E, Leissring, M.A, Choi, S, Cuny, G.D, Tang, W.J. | 登録日 | 2008-08-11 | 公開日 | 2009-05-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Designed inhibitors of insulin-degrading enzyme regulate the catabolism and activity of insulin. Plos One, 5, 2010
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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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6I4S
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![BU of 6i4s by Molmil](/molmil-images/mine/6i4s) | Crystal structure of the disease-causing R447G mutant of the human dihydrolipoamide dehydrogenase | 分子名称: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Szabo, E, Wilk, P, Hubert, A, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | 登録日 | 2018-11-10 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
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1JJF
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![BU of 1jjf by Molmil](/molmil-images/mine/1jjf) | STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERULOYL ESTERASE DOMAIN OF THE CELLULOSOMAL XYLANASE Z OF CLOSTRIDIUM THERMOCELLUM | 分子名称: | ENDO-1,4-BETA-XYLANASE Z, PLATINUM (II) ION | 著者 | Schubot, F.D, Kataeva, I.A, Blum, D.L, Shah, A.K, Ljungdahl, L.G, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | 登録日 | 2001-07-05 | 公開日 | 2001-10-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural basis for the substrate specificity of the feruloyl esterase domain of the cellulosomal xylanase Z from Clostridium thermocellum. Biochemistry, 40, 2001
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6I4T
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![BU of 6i4t by Molmil](/molmil-images/mine/6i4t) | Crystal structure of the disease-causing I445M mutant of the human dihydrolipoamide dehydrogenase | 分子名称: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Szabo, E, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | 登録日 | 2018-11-10 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.823 Å) | 主引用文献 | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
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1JMA
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![BU of 1jma by Molmil](/molmil-images/mine/1jma) | CRYSTAL STRUCTURE OF THE HERPES SIMPLEX VIRUS GLYCOPROTEIN D BOUND TO THE CELLULAR RECEPTOR HVEA/HVEM | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCOPROTEIN D, HERPESVIRUS ENTRY MEDIATOR, ... | 著者 | Carfi, A, Willis, S.H, Whitbeck, J.C, Krummenacker, C, Cohen, G.H, Eisenberg, R.J, Wiley, D.C. | 登録日 | 2001-07-17 | 公開日 | 2001-09-26 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Herpes simplex virus glycoprotein D bound to the human receptor HveA. Mol.Cell, 8, 2001
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2VUS
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![BU of 2vus by Molmil](/molmil-images/mine/2vus) | Crystal structure of unliganded NmrA-AreA zinc finger complex | 分子名称: | CHLORIDE ION, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ... | 著者 | Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K. | 登録日 | 2008-05-30 | 公開日 | 2008-07-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area. J.Mol.Biol., 381, 2008
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7ZLH
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![BU of 7zlh by Molmil](/molmil-images/mine/7zlh) | Cryo-EM structure of C-mannosyltransferase CeDPY19, in apo state, bound to CMT2-Fab and anti-Fab nanobody | 分子名称: | Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ... | 著者 | Bloch, J.S, Mukherjee, S, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P. | 登録日 | 2022-04-15 | 公開日 | 2023-01-11 | 最終更新日 | 2023-05-10 | 実験手法 | ELECTRON MICROSCOPY (2.75 Å) | 主引用文献 | Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase. Nat.Chem.Biol., 19, 2023
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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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