4BSU
 
 | | Structure of the ectodomain of LGR5 in complex with R-spondin-1 (Fu1Fu2) in C2 crystal form | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5, ... | | 著者 | Peng, W.C, de Lau, W, Forneris, F, Granneman, J.C.M, Huch, M, Clevers, H, Gros, P. | | 登録日 | 2013-06-11 | | 公開日 | 2013-06-26 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure of Stem Cell Growth Factor R-Spondin 1 in Complex with the Ectodomain of its Receptor Lgr5.
Cell Rep., 3, 2013
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4CD2
 | | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | | 分子名称: | DIHYDROFOLATE REDUCTASE, FOLIC ACID | | 著者 | Cody, V, Galitsky, N, Rak, D, Luft, J.R, Pangborn, W, Queener, S.F. | | 登録日 | 1999-03-18 | | 公開日 | 2000-03-29 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
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4NMH
 | | 11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one | | 分子名称: | (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O. | | 登録日 | 2013-11-15 | | 公開日 | 2014-03-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1)
TO BE PUBLISHED
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4O0Z
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4NWN
 | | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28 | | 分子名称: | Propanediol utilization: polyhedral bodies pduT, Uncharacterized protein | | 著者 | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | | 登録日 | 2013-12-06 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | | 主引用文献 | Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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4O15
 | | The crystal structure of a mutant NAMPT (S165F) in complex with GNE-618 | | 分子名称: | 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | | 登録日 | 2013-12-15 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4NFE
 | | Human kallikrein-related peptidase 2 in complex with benzamidine | | 分子名称: | BENZAMIDINE, Kallikrein-2, SULFATE ION | | 著者 | Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. | | 登録日 | 2013-10-31 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
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4BPA
 | | Crystal structure of AmpDh2 from Pseudomonas aeruginosa in complex with NAG-NAM-NAG-NAM tetrasaccharide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, AMPDH2, ZINC ION | | 著者 | Artola-Recolons, C, Martinez-Caballero, S, Lee, M, Carrasco-Lopez, C, Hesek, D, Spink, E, Lastochkin, E, Zhang, W, Hellman, L, Boggess, B, Mobashery, S, Hermoso, J.A. | | 登録日 | 2013-05-23 | | 公開日 | 2013-07-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
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4BPS
 | | Crystal structure of Chorismatase at 1.08 Angstrom resolution. | | 分子名称: | 3-(2-CARBOXYETHYL)BENZOIC ACID, FKBO | | 著者 | Juneja, P, Hubrich, F, Diederichs, K, Welte, W, Andexer, J.N. | | 登録日 | 2013-05-28 | | 公開日 | 2013-09-18 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.081 Å) | | 主引用文献 | Mechanistic Implications for the Chorismatase Fkbo Based on the Crystal Structure.
J.Mol.Biol., 426, 2014
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4BTG
 | | Coordinates of the bacteriophage phi6 capsid subunits (P1A and P1B) fitted into the cryoEM reconstruction of the procapsid at 4.4 A resolution | | 分子名称: | MAJOR INNER PROTEIN P1 | | 著者 | Nemecek, D, Boura, E, Wu, W, Cheng, N, Plevka, P, Qiao, J, Mindich, L, Heymann, J.B, Hurley, J.H, Steven, A.C. | | 登録日 | 2013-06-17 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Subunit Folds and Maturation Pathway of a Dsrna Virus Capsid.
Structure, 21, 2013
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4MDC
 | | Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021, NYSGRC target 021389 | | 分子名称: | GLYCEROL, Putative glutathione S-transferase | | 著者 | Shabalin, I.G, Bacal, P, Cooper, D.R, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-08-22 | | 公開日 | 2013-09-04 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021
To be Published
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4CAV
 | | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879 | | 分子名称: | 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | 著者 | Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | | 登録日 | 2013-10-09 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
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4BVV
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | 分子名称: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | | 著者 | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | 登録日 | 2013-06-28 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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4M7Y
 | | Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ... | | 著者 | Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2013-08-12 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
ACS Infect Dis, 2, 2016
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4BVW
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | 分子名称: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ... | | 著者 | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | 登録日 | 2013-06-28 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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4CCU
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol | | 分子名称: | 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2013-10-28 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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4LVD
 | | 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, N-(4-nitrophenyl)cyclopropanecarboxamide, 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 (1.75 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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4LX2
 | | Crystal structure of Myo5a globular tail domain in complex with melanophilin GTBD | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Melanophilin, Unconventional myosin-Va | | 著者 | Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A. | | 登録日 | 2013-07-29 | | 公開日 | 2013-11-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural basis of myosin V Rab GTPase-dependent cargo recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4CCB
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine | | 分子名称: | 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2013-10-21 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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4M0Q
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4NE4
 | | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC transporter, substrate binding protein (Proline/glycine/betaine), ... | | 著者 | Tkaczuk, K.L, Nicholls, R, Kagan, O, Chruszcz, M, Domagalski, M.J, Savchenko, A, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2013-10-28 | | 公開日 | 2013-11-27 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB
To be Published
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4C6G
 | | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | | 分子名称: | PHENYLALANINE AMMONIA-LYASE | | 著者 | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | | 登録日 | 2013-09-18 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis.
Biochemistry, 53, 2014
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4O0R
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4O16
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | | 登録日 | 2013-12-15 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4NSY
 | | Wild-type lysobacter enzymogenes lysc endoproteinase covalently inhibited by TLCK | | 分子名称: | CALCIUM ION, CHLORIDE ION, Lysyl endopeptidase, ... | | 著者 | Asztalos, P, Muller, A, Holke, W, Sobek, H, Rudolph, M.G. | | 登録日 | 2013-11-29 | | 公開日 | 2014-04-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Atomic resolution structure of a lysine-specific endoproteinase from Lysobacter enzymogenes suggests a hydroxyl group bound to the oxyanion hole.
Acta Crystallogr.,Sect.D, 70, 2014
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