2XP8
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![BU of 2xp8 by Molmil](/molmil-images/mine/2xp8) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | 分子名称: | 4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | 著者 | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | 登録日 | 2010-08-25 | 公開日 | 2011-01-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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2XBR
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![BU of 2xbr by Molmil](/molmil-images/mine/2xbr) | Raman crystallography of Hen White Egg Lysozyme - Low X-ray dose (0.2 MGy) | 分子名称: | CHLORIDE ION, LYSOZYME C | 著者 | Carpentier, P, Royant, A, Weik, M, Bourgeois, D. | 登録日 | 2010-04-14 | 公開日 | 2010-11-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation Structure, 18, 2010
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4K4D
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![BU of 4k4d by Molmil](/molmil-images/mine/4k4d) | X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA | 分子名称: | 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ... | 著者 | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | 登録日 | 2013-04-12 | 公開日 | 2014-07-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
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2XCC
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![BU of 2xcc by Molmil](/molmil-images/mine/2xcc) | Crystal structure of PcrH from Pseudomonas aeruginosa | 分子名称: | REGULATORY PROTEIN PCRH | 著者 | Job, V, Mattei, P.-J, Lemaire, D, Attree, I, Dessen, A. | 登録日 | 2010-04-22 | 公開日 | 2010-05-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Structural Basis of Chaperone Recognition of Type III Secretion System Minor Translocator Proteins. J.Biol.Chem., 285, 2010
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1P46
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![BU of 1p46 by Molmil](/molmil-images/mine/1p46) | T4 lysozyme core repacking mutant M106I/TA | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | 著者 | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | 登録日 | 2003-04-21 | 公開日 | 2003-10-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
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2XFN
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![BU of 2xfn by Molmil](/molmil-images/mine/2xfn) | Human monoamine oxidase B in complex with 2-(2-benzofuranyl)-2- imidazoline | 分子名称: | 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A. | 登録日 | 2010-05-26 | 公開日 | 2010-10-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Potentiation of ligand binding through cooperative effects in monoamine oxidase B. J. Biol. Chem., 285, 2010
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2XHW
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![BU of 2xhw by Molmil](/molmil-images/mine/2xhw) | HCV-J4 NS5B Polymerase Trigonal Crystal Form | 分子名称: | RNA-directed RNA polymerase | 著者 | Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S. | 登録日 | 2010-06-21 | 公開日 | 2010-08-04 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis J.Biol.Chem., 285, 2010
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1P7S
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![BU of 1p7s by Molmil](/molmil-images/mine/1p7s) | T4 LYSOZYME CORE REPACKING MUTANT V103I/TA | 分子名称: | LYSOZYME | 著者 | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | 登録日 | 2003-05-05 | 公開日 | 2003-10-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Repacking the Core of T4 Lysozyme by Automated Design J.Mol.Biol., 332, 2003
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1OQ5
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![BU of 1oq5 by Molmil](/molmil-images/mine/1oq5) | CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR | 分子名称: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION | 著者 | Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G. | 登録日 | 2003-03-07 | 公開日 | 2004-03-23 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J.Med.Chem., 47, 2004
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2HLP
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![BU of 2hlp by Molmil](/molmil-images/mine/2hlp) | CRYSTAL STRUCTURE OF THE E267R MUTANT OF A HALOPHILIC MALATE DEHYDROGENASE IN THE APO FORM | 分子名称: | CHLORIDE ION, MALATE DEHYDROGENASE, SODIUM ION | 著者 | Richard, S.B, Madern, D, Garcin, E, Zaccai, G. | 登録日 | 1999-04-23 | 公開日 | 2000-02-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Halophilic adaptation: novel solvent protein interactions observed in the 2.9 and 2.6 A resolution structures of the wild type and a mutant of malate dehydrogenase from Haloarcula marismortui. Biochemistry, 39, 2000
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1QKD
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![BU of 1qkd by Molmil](/molmil-images/mine/1qkd) | |
2XPC
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![BU of 2xpc by Molmil](/molmil-images/mine/2xpc) | Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid | 分子名称: | (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Sosic, I, Barreteau, H, Simcic, M, Sink, R, Cesar, J, Golic-Grdadolnik, S, Contreras-Martel, C, Dessen, A, Amoroso, A, Joris, B, Blanot, D, Gobec, S. | 登録日 | 2010-08-26 | 公開日 | 2011-05-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid. Eur.J.Med.Chem, 46, 2011
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2XQQ
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![BU of 2xqq by Molmil](/molmil-images/mine/2xqq) | Human dynein light chain (DYNLL2) in complex with an in vitro evolved peptide (Ac-SRGTQTE). | 分子名称: | ACETATE ION, DYNEIN LIGHT CHAIN 2, CYTOPLASMIC, ... | 著者 | Rapali, P, Radnai, L, Suveges, D, Hetenyi, C, Harmat, V, Tolgyesi, F, Wahlgren, W.Y, Katona, G, Nyitray, L, Pal, G. | 登録日 | 2010-09-07 | 公開日 | 2011-05-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Directed Evolution Reveals the Binding Motif Preference of the Lc8/Dynll Hub Protein and Predicts Large Numbers of Novel Binders in the Human Proteome Plos One, 6, 2011
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1QO2
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![BU of 1qo2 by Molmil](/molmil-images/mine/1qo2) | Crystal structure of N-((5'-phosphoribosyl)-formimino)-5-aminoimidazol-4-carboxamid ribonucleotid isomerase (EC 3.1.3.15, HisA) | 分子名称: | | 著者 | Wilmanns, M, Lang, D, Thoma, R, Sterner, R. | 登録日 | 1999-11-01 | 公開日 | 2000-07-12 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural Evidence for Evolution of the Beta/Alpha-Barrel Scaffold by Repeated Gene Duplication and Fusion Science, 289, 2000
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2HOX
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![BU of 2hox by Molmil](/molmil-images/mine/2hox) | alliinase from allium sativum (garlic) | 分子名称: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Shimon, L.J.W, Rabinkov, A, Wilcheck, M, Mirelman, D, Frolow, F. | 登録日 | 2006-07-17 | 公開日 | 2007-02-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Two Structures of Alliinase from Alliium sativum L.: Apo Form and Ternary Complex with Aminoacrylate Reaction Intermediate Covalently Bound to the PLP Cofactor. J.Mol.Biol., 366, 2007
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1QQQ
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![BU of 1qqq by Molmil](/molmil-images/mine/1qqq) | CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE | 分子名称: | SULFATE ION, THYMIDYLATE SYNTHASE | 著者 | Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T. | 登録日 | 1999-06-07 | 公開日 | 1999-06-14 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254. Mol.Pharmacol., 57, 2000
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2XWA
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![BU of 2xwa by Molmil](/molmil-images/mine/2xwa) | Crystal Structure of Complement Factor D Mutant R202A | 分子名称: | COMPLEMENT FACTOR D, GLYCEROL | 著者 | Forneris, F, Ricklin, D, Wu, J, Tzekou, A, Wallace, R.S, Lambris, J.D, Gros, P. | 登録日 | 2010-11-01 | 公開日 | 2011-01-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structures of C3B in Complex with Factors B and D Give Insight Into Complement Convertase Formation. Science, 330, 2010
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1QFX
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![BU of 1qfx by Molmil](/molmil-images/mine/1qfx) | PH 2.5 ACID PHOSPHATASE FROM ASPERGILLUS NIGER | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PROTEIN (PH 2.5 ACID PHOSPHATASE), ... | 著者 | Kostrewa, D, Wyss, M, D'Arcy, A, Van Loon, A.P.G.M. | 登録日 | 1999-04-15 | 公開日 | 2000-04-19 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of Aspergillus niger pH 2.5 acid phosphatase at 2. 4 A resolution. J.Mol.Biol., 288, 1999
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1QG9
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![BU of 1qg9 by Molmil](/molmil-images/mine/1qg9) | SECOND REPEAT (IS2MIC) FROM VOLTAGE-GATED SODIUM CHANNEL | 分子名称: | PROTEIN (SODIUM CHANNEL PROTEIN, BRAIN II ALPHA SUBUNIT) | 著者 | Doak, D.J, Mulvey, D, Kawaguchi, K, Villalain, J, Campbell, I.D. | 登録日 | 1999-04-22 | 公開日 | 1999-04-30 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural studies of synthetic peptides dissected from the voltage-gated sodium channel. J.Mol.Biol., 258, 1996
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2Y0C
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![BU of 2y0c by Molmil](/molmil-images/mine/2y0c) | BceC mutation Y10S | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | 著者 | Rocha, J, Popescu, A.O, Borges, P, Mil-Homens, D, Sa-Correia, I, Fialho, A.M, Frazao, C. | 登録日 | 2010-12-02 | 公開日 | 2011-07-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure of Burkholderia Cepacia Udp-Glucose Dehydrogenase (Ugd) Bcec and Role of Tyr10 in Final Hydrolysis of Ugd Thioester Intermediate. J.Bacteriol., 193, 2011
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2XP9
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![BU of 2xp9 by Molmil](/molmil-images/mine/2xp9) | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | 分子名称: | 4-[BENZYL(CARBOXYMETHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | 著者 | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | 登録日 | 2010-08-25 | 公開日 | 2011-01-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution. Bioorg.Med.Chem.Lett., 20, 2010
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4K4B
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![BU of 4k4b by Molmil](/molmil-images/mine/4k4b) | X-ray crystal structure of E. coli YdiI complexed with undeca-2-one-CoA | 分子名称: | CHLORIDE ION, Esterase YdiI, undeca-2-one coenzyme A | 著者 | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | 登録日 | 2013-04-12 | 公開日 | 2014-07-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
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1QO1
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![BU of 1qo1 by Molmil](/molmil-images/mine/1qo1) | Molecular Architecture of the Rotary Motor in ATP Synthase from Yeast Mitochondria | 分子名称: | ATP SYNTHASE ALPHA CHAIN, ATP SYNTHASE BETA CHAIN, ATP SYNTHASE DELTA CHAIN, ... | 著者 | Stock, D, Leslie, A.G.W, Walker, J.E. | 登録日 | 1999-11-01 | 公開日 | 1999-11-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | 主引用文献 | Molecular Architecture of the Rotary Motor in ATP Synthase Science, 286, 1999
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2WF0
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![BU of 2wf0 by Molmil](/molmil-images/mine/2wf0) | Human BACE-1 in complex with 4-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide | 分子名称: | BETA-SECRETASE 1, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE | 著者 | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | 登録日 | 2009-04-02 | 公開日 | 2009-05-19 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics. Bioorg.Med.Chem.Lett., 19, 2009
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2WD8
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![BU of 2wd8 by Molmil](/molmil-images/mine/2wd8) | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | 分子名称: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | 登録日 | 2009-03-20 | 公開日 | 2009-06-30 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening. J.Med.Chem., 52, 2009
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