3T5B
 
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3T4O
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4B4M
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | 著者 | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | 登録日 | 2012-07-31 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4B3W
 | | Crystal structure of human cytoglobin H(E7)Q mutant | | 分子名称: | ACETATE ION, CYANIDE ION, CYTOGLOBIN, ... | | 著者 | Gabba, M, Abbruzzetti, S, Spyrakis, F, Forti, F, Bruno, S, Mozzarelli, A, Luque, F.J, Viappiani, C, Cozzini, P, Nardini, M, Germani, F, Bolognesi, M, Moens, L, Dewilde, S. | | 登録日 | 2012-07-26 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Co Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin.
Plos One, 8, 2013
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3T8O
 | | Rhodopsin kinase (GRK1) L166K mutant at 2.5A resolution | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | 著者 | Tesmer, J.J.G, Singh, P, Nance, M.R. | | 登録日 | 2011-08-01 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of a monomeric variant of rhodopsin kinase at 2.5 A resolution.
Acta Crystallogr.,Sect.F, 68, 2012
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4B7C
 | | Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROBABLE OXIDOREDUCTASE | | 著者 | Alphey, M.S, McMahon, S.A, Duthie, F.G, Naismith, J.H. | | 登録日 | 2012-08-17 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
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4BFC
 | | Crystal structure of the C-terminal CMP-Kdo binding domain of WaaA from Acinetobacter baumannii | | 分子名称: | 3-DEOXY-D-MANNO-OCTULOSONIC-ACID TRANSFERASE, BETA-MERCAPTOETHANOL, SULFATE ION | | 著者 | Kimbung, Y.R, Hakansson, M, Logan, D, Wang, P.F, Schulz, M, Mamat, U, Woodard, R.W. | | 登録日 | 2013-03-18 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of the C-Terminal Cmp-Kdo Binding Domain of Waaa from Acinetobacter Baumannii
To be Published
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3SUT
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3SUU
 | | Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with Gal-PUGNAc | | 分子名称: | Beta-hexosaminidase, SULFATE ION, [(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate | | 著者 | Sumida, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2011-07-11 | | 公開日 | 2012-06-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Gaining insight into the inhibition of glycoside hydrolase family 20 exo-beta-N-acetylhexosaminidases using a structural approach
Org.Biomol.Chem., 10, 2012
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4AXE
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, SULFATE ION, ... | | 著者 | I Banos-Sanz, J, Sanz-Aparicio, J, Gonzalez, B. | | 登録日 | 2012-06-12 | | 公開日 | 2012-07-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Conformational Changes Undergone by Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase Upon Substrate Binding: The Role of N-Lobe and Enantiomeric Substrate Preference
J.Biol.Chem., 287, 2012
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3VTH
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4BLA
 | | Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II) | | 分子名称: | MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG | | 著者 | Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L. | | 登録日 | 2013-05-02 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
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4AT5
 | | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580 | | 分子名称: | 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine, BDNF/NT-3 GROWTH FACTORS RECEPTOR, GLYCEROL | | 著者 | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | 登録日 | 2012-05-03 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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3VVR
 | | Crystal structure of MATE in complex with MaD5 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative uncharacterized protein, macrocyclic peptide | | 著者 | Tanaka, Y, Ishitani, R, Nureki, O. | | 登録日 | 2012-07-27 | | 公開日 | 2013-04-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis for the drug extrusion mechanism by a MATE multidrug transporter.
Nature, 496, 2013
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4BAC
 | | prototype foamy virus strand transfer complexes on product DNA | | 分子名称: | 5'-D(*AP*GP*GP*AP*GP*CP*CP*AP*AP*GP*AP*CP*GP*GP *AP*TP*CP)-3', 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*TP*GP*TP*AP)-3', DNA (38-MER), ... | | 著者 | Yin, Z, Lapkouski, M, Yang, W, Craigie, R. | | 登録日 | 2012-09-12 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.263 Å) | | 主引用文献 | Assembly of Prototype Foamy Virus Strand Transfer Complexes on Product DNA Bypassing Catalysis of Integration.
Protein Sci., 21, 2012
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4BDM
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3W07
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4B2W
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | 著者 | Alphey, M.S, Pirrie, L, Torrie, L, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | 登録日 | 2012-07-18 | | 公開日 | 2013-05-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4ASZ
 | | Crystal structure of apo TrkB kinase domain | | 分子名称: | BDNF/NT-3 GROWTH FACTORS RECEPTOR | | 著者 | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | | 登録日 | 2012-05-03 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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3V8E
 | | Crystal structure of the yeast nicotinamidase Pnc1p bound to the inhibitor nicotinaldehyde | | 分子名称: | MAGNESIUM ION, Nicotinamidase, ZINC ION | | 著者 | Hoadley, K.A, Smith, B.C, Denu, J.M, Keck, J.L. | | 登録日 | 2011-12-22 | | 公開日 | 2012-01-25 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structural and Kinetic Isotope Effect Studies of Nicotinamidase (Pnc1) from Saccharomyces cerevisiae.
Biochemistry, 51, 2012
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4BNF
 | | Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol | | 分子名称: | 2-phenoxy-5-propyl-phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | 登録日 | 2013-05-15 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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4BNM
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(2-methylphenoxy)phenol | | 分子名称: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | 登録日 | 2013-05-15 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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3VHA
 | | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha | | 著者 | Fukami, T.A, Ono, N. | | 登録日 | 2011-08-24 | | 公開日 | 2012-07-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VQD
 | | HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid | | 分子名称: | 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, CADMIUM ION, POL polyprotein, ... | | 著者 | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | 登録日 | 2012-03-21 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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4BNK
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-fluoro- 2-phenoxyphenol | | 分子名称: | 5-fluoro-2-phenoxyphenol, CHLORIDE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | 登録日 | 2013-05-15 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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