4CV9
 
 | | MPS1 kinase with 3-aminopyridin-2-one inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 4-(4-Methylpiperazin-1-yl)-N-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide, DIMETHYL SULFOXIDE, ... | | 著者 | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | | 登録日 | 2014-03-24 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
To be Published
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4AYD
 | | Structure of a complex between CCPs 6 and 7 of Human Complement Factor H and Neisseria meningitidis FHbp Variant 1 R106A mutant | | 分子名称: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H, FACTOR H BINDING PROTEIN | | 著者 | Johnson, S, Tan, L, van der Veen, S, Caesar, J, Goicoechea De Jorge, E, Everett, R.J, Bai, X, Exley, R.M, Ward, P.N, Ruivo, N, Trivedi, K, Cumber, E, Jones, R, Newham, L, Staunton, D, Borrow, R, Pickering, M, Lea, S.M, Tang, C.M. | | 登録日 | 2012-06-20 | | 公開日 | 2012-11-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules
Plos Pathog., 8, 2012
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4B1B
 | | Crystal structure of Plasmodium falciparum oxidised Thioredoxin Reductase at 2.9 angstrom | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE | | 著者 | Boumis, G, Giardina, G, Dimastrogiovanni, D, Angelucci, F, Saccoccia, F, Brunori, M, Bellelli, A, Miele, A.E. | | 登録日 | 2012-07-09 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal Structure of Plasmodium Falciparum Thioredoxin Reductase, a Validated Drug Target.
Biochem.Biophys.Res.Commun., 425, 2012
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4B2X
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | | 著者 | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | 登録日 | 2012-07-18 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 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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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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4FZN
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4BBJ
 | | Copper-transporting PIB-ATPase in complex with beryllium fluoride representing the E2P state | | 分子名称: | COPPER EFFLUX ATPASE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Mattle, D, Gourdon, P, Nissen, P. | | 登録日 | 2012-09-25 | | 公開日 | 2013-12-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Copper-Transporting P-Type Atpases Use a Unique Ion-Release Pathway
Nat.Struct.Mol.Biol., 21, 2014
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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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4ARK
 | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MAP KINASE KINASE 1 (MEK1) IN COMPLEX WITH A SMALL MOLECULE INHIBITOR AND ADP | | 分子名称: | 2-([3R-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide, ADENOSINE-5'-DIPHOSPHATE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ... | | 著者 | Hartung, I.V, Hitchcock, M, Puehler, F, Neuhaus, R, Scholz, A, Hammer, S, Petersen, K, Siemeister, G, Brittain, D, Hillig, R.C. | | 登録日 | 2012-04-24 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Optimization of Allosteric Mek Inhibitors - Part 1: Venturing Into Unexplored Sar Territories
Bioorg.Med.Chem.Lett., 23, 2013
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4ASY
 | | 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, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | 登録日 | 2012-05-03 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 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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4AZQ
 | | Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid 2-arachidonoylglycerol | | 分子名称: | 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate, CHLORIDE ION, FATTY ACID-BINDING PROTEIN, ... | | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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4AZO
 | | Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag removed | | 分子名称: | CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL | | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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4GK1
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4BP9
 | | Oligopeptidase B from Trypanosoma brucei with covalently bound antipain - closed form | | 分子名称: | ANTIPAIN, OLIGOPEPTIDASSE B | | 著者 | Canning, P, Rea, D, Morty, R, Fulop, V. | | 登録日 | 2013-05-23 | | 公開日 | 2014-02-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal Structures of Trypanosoma Brucei Oligopeptidase B Broaden the Paradigm of Catalytic Regulation in Prolyl Oligopeptidase Family Enzymes.
Plos One, 8, 2013
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4BMW
 | | Crystal structure of the Streptomyces reticuli HbpS E78D, E81D double mutant | | 分子名称: | EXTRACELLULAR HAEM-BINDING PROTEIN | | 著者 | Wagener, S, Kursula, I, Wedderhoff, I, Groves, M.R, Ortiz de Orue Lucana, D. | | 登録日 | 2013-05-11 | | 公開日 | 2013-09-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Iron Binding at Specific Sites within the Octameric Hbps Protects Streptomycetes from Iron-Mediated Oxidative Stress.
Plos One, 8, 2013
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4FZM
 | | Crystal structure of the bacteriocin syringacin M from Pseudomonas syringae pv. tomato DC3000 | | 分子名称: | 1,2-ETHANEDIOL, Bacteriocin, CALCIUM ION | | 著者 | Roszak, A.W, Grinter, R, Cogdell, J.R, Walker, D. | | 登録日 | 2012-07-06 | | 公開日 | 2012-10-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | The Crystal Structure of the Lipid II-degrading Bacteriocin Syringacin M Suggests Unexpected Evolutionary Relationships between Colicin M-like Bacteriocins.
J.Biol.Chem., 287, 2012
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4FZS
 | | Structure of human SNX1 BAR domain | | 分子名称: | Sorting nexin-1 | | 著者 | van Weering, J.R.T, Sessions, R.B, Traer, C.J, Kloer, D.P, Bhatia, V.K, Stamou, D, Hurley, J.H, Cullen, P.J. | | 登録日 | 2012-07-07 | | 公開日 | 2013-07-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Molecular insight into vesicle-to-tubule membrane remodeling by SNX-BAR proteins
To be Published
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4BOS
 | | Structure of OTUD2 OTU domain in complex with Ubiquitin K11-linked peptide | | 分子名称: | MAGNESIUM ION, NITRATE ION, OTUD2, ... | | 著者 | Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D. | | 登録日 | 2013-05-22 | | 公開日 | 2013-07-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
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4G21
 | | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | | 分子名称: | 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | | 登録日 | 2012-07-11 | | 公開日 | 2012-09-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
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4G2I
 | | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | | 分子名称: | (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Vitamin D3 receptor | | 著者 | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | | 登録日 | 2012-07-12 | | 公開日 | 2012-09-26 | | 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 the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
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4BT4
 | | acetolactate decarboxylase with a bound (2S,3S)-2,3-Dihydroxy-2- methylbutanoic acid | | 分子名称: | (2S,3S)-2,3-dihydroxy-2-methylbutanoic acid, ALPHA-ACETOLACTATE DECARBOXYLASE, ZINC ION | | 著者 | A Marlow, V, Rea, D, Najmudin, S, Wills, M, Fulop, V. | | 登録日 | 2013-06-12 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure and Mechanism of Acetolactate Decarboxylase.
Acs Chem.Biol., 8, 2013
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4BS0
 | | Crystal Structure of Kemp Eliminase HG3.17 E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | | 分子名称: | 6-NITROBENZOTRIAZOLE, KEMP ELIMINASE HG3.17, SULFATE ION | | 著者 | Blomberg, R, Kries, H, Pinkas, D.M, Mittl, P.R.E, Gruetter, M.G, Privett, H.K, Mayo, S, Hilvert, D. | | 登録日 | 2013-06-06 | | 公開日 | 2013-10-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Precision is Essential for Efficient Catalysis in an Evolved Kemp Eliminase
Nature, 503, 2013
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4BWY
 | | P4 PROTEIN FROM BACTERIOPHAGE PHI8 (R32) | | 分子名称: | P4 | | 著者 | El Omari, K, Meier, C, Kainov, D, Sutton, G, Grimes, J.M, Poranen, M.M, Bamford, D.H, Tuma, R, Stuart, D.I, Mancini, E.J. | | 登録日 | 2013-07-05 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Tracking in Atomic Detail the Functional Specializations in Viral Reca Helicases that Occur During Evolution.
Nucleic Acids Res., 41, 2013
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4BOZ
 | | Structure of OTUD2 OTU domain in complex with K11-linked di ubiquitin | | 分子名称: | GLYCEROL, UBIQUITIN THIOESTERASE OTU1, UBIQUITIN-C | | 著者 | Mevissen, T.E.T, Hospenthal, M.K, Geurink, P.P, Elliott, P.R, Akutsu, M, Arnaudo, N, Ekkebus, R, Kulathu, Y, Wauer, T, El Oualid, F, Freund, S.M.V, Ovaa, H, Komander, D. | | 登録日 | 2013-05-22 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | Otu Deubiquitinases Reveal Mechanisms of Linkage Specificity and Enable Ubiquitin Chain Restriction Analysis.
Cell(Cambridge,Mass.), 154, 2013
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4GKO
 | | Crystal structure of the calcium2+-bound human IgE-Fc(epsilon)3-4 bound to its B cell receptor derCD23 | | 分子名称: | CALCIUM ION, Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, ... | | 著者 | Yuan, D, Sutton, B.J, Dhaliwal, B. | | 登録日 | 2012-08-13 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
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