4LV9
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![BU of 4lv9 by Molmil](/molmil-images/mine/4lv9) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4M6P
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![BU of 4m6p by Molmil](/molmil-images/mine/4m6p) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-08-10 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LPL
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![BU of 4lpl by Molmil](/molmil-images/mine/4lpl) | Structure of CBM32-1 from a family 31 glycoside hydrolase from Clostridium perfringens | 分子名称: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ... | 著者 | Grondin, J.M, Duan, D, Heather, F.S, Spencer, C.A, Allingham, J.S, Smith, S.P. | 登録日 | 2013-07-16 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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4M32
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![BU of 4m32 by Molmil](/molmil-images/mine/4m32) | Crystal structure of gated-pore mutant D138N of second DNA-Binding protein under starvation from Mycobacterium smegmatis | 分子名称: | CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ... | 著者 | Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D. | 登録日 | 2013-08-06 | 公開日 | 2014-03-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis J.Biol.Chem., 289, 2014
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4M4Q
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![BU of 4m4q by Molmil](/molmil-images/mine/4m4q) | 6-(4-fluorophenyl)-3-hydroxy-5-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl] -1,2-dihydropyridin-2-one bound to influenza 2009 H1N1 endonuclease | 分子名称: | 6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol, MAGNESIUM ION, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-07 | 公開日 | 2013-09-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4M5U
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![BU of 4m5u by Molmil](/molmil-images/mine/4m5u) | 5-(4-FLUOROPHENYL)-3-HYDROXY-6-[4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 pH1N1 endonuclease | 分子名称: | 5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase PA, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-08 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Phenyl substituted 3-hydroxypyridin-2(1H)-ones: inhibitors of influenza A endonuclease. Bioorg.Med.Chem., 21, 2013
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4M5I
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![BU of 4m5i by Molmil](/molmil-images/mine/4m5i) | The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one, CALCIUM ION, ... | 著者 | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | 登録日 | 2013-08-08 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase. Bioorg.Med.Chem., 22, 2014
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4M5Q
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![BU of 4m5q by Molmil](/molmil-images/mine/4m5q) | High-resolution apo influenza 2009 H1N1 endonuclease structure | 分子名称: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Polymerase PA | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-08-08 | 公開日 | 2013-09-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.534 Å) | 主引用文献 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. Acs Chem.Biol., 8, 2013
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4MBE
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![BU of 4mbe by Molmil](/molmil-images/mine/4mbe) | Sac3:Sus1:Cdc31:Nup1 complex | 分子名称: | CALCIUM ION, Cell division control protein 31, Nuclear mRNA export protein SAC3, ... | 著者 | Jani, D, Meineke, B, Stewart, M. | 登録日 | 2013-08-19 | 公開日 | 2014-07-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.612 Å) | 主引用文献 | Structural basis for binding the TREX2 complex to nuclear pores, GAL1 localisation and mRNA export. Nucleic Acids Res., 42, 2014
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4LOW
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![BU of 4low by Molmil](/molmil-images/mine/4low) | Structure and identification of a pterin dehydratase-like protein as a RuBisCO assembly factor in the alpha-carboxysome | 分子名称: | FORMIC ACID, NICKEL (II) ION, acRAF | 著者 | Wheatley, N.M, Gidaniyan, S.D, Cascio, D, Yeates, T.O. | 登録日 | 2013-07-13 | 公開日 | 2013-09-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure and Identification of a Pterin Dehydratase-like Protein as a Ribulose-bisphosphate Carboxylase/Oxygenase (RuBisCO) Assembly Factor in the alpha-Carboxysome. J.Biol.Chem., 289, 2014
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4LTP
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![BU of 4ltp by Molmil](/molmil-images/mine/4ltp) | Bacterial sodium channel in high calcium, I222 space group, crystal 2 | 分子名称: | CALCIUM ION, Ion transport protein | 著者 | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | 登録日 | 2013-07-23 | 公開日 | 2013-10-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels. J.Mol.Biol., 426, 2014
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4ND5
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![BU of 4nd5 by Molmil](/molmil-images/mine/4nd5) | |
4NCD
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4NI5
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![BU of 4ni5 by Molmil](/molmil-images/mine/4ni5) | Crystal Structure of a Short Chain Dehydrogenase from Brucella suis | 分子名称: | MAGNESIUM ION, Oxidoreductase, short-chain dehydrogenase/reductase family protein | 著者 | Dranow, D.M, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2013-11-05 | 公開日 | 2013-11-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of a Short Chain Dehydrogenase from Brucella suis TO BE PUBLISHED
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4NRT
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![BU of 4nrt by Molmil](/molmil-images/mine/4nrt) | Human Norovirus polymerase bound to Compound 6 (suramin derivative) | 分子名称: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, hNV-RdRp | 著者 | Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Milani, M, Bolognesi, M. | 登録日 | 2013-11-27 | 公開日 | 2014-10-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.022 Å) | 主引用文献 | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds. Plos One, 9, 2014
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4NE2
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![BU of 4ne2 by Molmil](/molmil-images/mine/4ne2) | Pantothenamide-bound Pantothenate Kinase from Klebsiella pneumoniae | 分子名称: | (R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Hughes, S.J, Antoshchenko, T, Kim, K.P, Smil, D, Park, H.W. | 登録日 | 2013-10-28 | 公開日 | 2014-02-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural characterization of a new N-substituted pantothenamide bound to pantothenate kinases from Klebsiella pneumoniae and Staphylococcus aureus. Proteins, 82, 2014
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4NJS
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![BU of 4njs by Molmil](/molmil-images/mine/4njs) | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | 著者 | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | 登録日 | 2013-11-11 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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4N79
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![BU of 4n79 by Molmil](/molmil-images/mine/4n79) | Structure of Cathepsin K-dermatan sulfate complex | 分子名称: | Cathepsin K, alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose | 著者 | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | 登録日 | 2013-10-15 | 公開日 | 2014-11-26 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structural basis of collagen fiber degradation by cathepsin K. Proc.Natl.Acad.Sci.USA, 111, 2014
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4NB4
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![BU of 4nb4 by Molmil](/molmil-images/mine/4nb4) | Pantothenamide-bound Pantothenate kinase from Staphylococcus aureus | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-[2-(1,3-benzodioxol-5-yl)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | 著者 | Hughes, S.J, Antoshchenko, T, Smil, D, Park, H.W. | 登録日 | 2013-10-22 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural characterization of a new N-substituted pantothenamide bound to pantothenate kinases from Klebsiella pneumoniae and Staphylococcus aureus. Proteins, 82, 2014
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4MUA
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![BU of 4mua by Molmil](/molmil-images/mine/4mua) | Schistosoma mansoni (Blood Fluke) Sulfotransferase | 分子名称: | ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase | 著者 | Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T. | 登録日 | 2013-09-21 | 公開日 | 2013-12-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites. Science, 342, 2013
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4NB3
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![BU of 4nb3 by Molmil](/molmil-images/mine/4nb3) | Crystal structure of RPA70N in complex with a 3,4 dichlorophenylalanine ATRIP derived peptide | 分子名称: | 3,4 dichlorophenylalanine ATRIP derived peptide, Replication protein A 70 kDa DNA-binding subunit | 著者 | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Souza-Fagundes, E.M, Luzwik, J.W, Cortez, D, Olejniczak, O.T, Waterson, A.G, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | 登録日 | 2013-10-22 | 公開日 | 2014-02-26 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Discovery of a Potent Stapled Helix Peptide That Binds to the 70N Domain of Replication Protein A. J.Med.Chem., 57, 2014
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4N6P
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![BU of 4n6p by Molmil](/molmil-images/mine/4n6p) | Crystal Structure of C-lobe of Bovine lactoferrin complexed with meclofenamic acid at 1.4 A resolution | 分子名称: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic 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 | Gautam, L, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2013-10-14 | 公開日 | 2013-10-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal Structre of C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH MECLOFENAMIC ACID AT 1.4 A RESOLUTION TO BE PUBLISHED
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4N7Y
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![BU of 4n7y by Molmil](/molmil-images/mine/4n7y) | Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS | 分子名称: | 14-3-3 protein zeta/delta, Exoenzyme S | 著者 | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | 登録日 | 2013-10-16 | 公開日 | 2014-02-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction. Angew.Chem.Int.Ed.Engl., 53, 2014
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4KIL
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![BU of 4kil by Molmil](/molmil-images/mine/4kil) | 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one bound to influenza 2009 H1N1 endonuclease | 分子名称: | 1,2-ETHANEDIOL, 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one, MANGANESE (II) ION, ... | 著者 | Bauman, J.D, Patel, D, Das, K, Arnold, E. | 登録日 | 2013-05-02 | 公開日 | 2013-05-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | 3-Hydroxyquinolin-2(1H)-ones As Inhibitors of Influenza A Endonuclease. ACS Med Chem Lett, 4, 2013
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4KAB
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![BU of 4kab by Molmil](/molmil-images/mine/4kab) | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 3-Methyl-1,4-dihydro-pyrazolo[4,5-c]pyrazole | 分子名称: | 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole, Focal adhesion kinase 1 | 著者 | Musil, D, Graedler, U, Heinrich, T, Lehmann, M, Dresing, V. | 登録日 | 2013-04-22 | 公開日 | 2013-09-11 | 最終更新日 | 2013-10-09 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Fragment-based discovery of focal adhesion kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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