PDB: 66478 件ウェブページステータス検索Chemie searchBIRD

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4B4V	Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899 分子名称: 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... 著者 Eadsforth, T.C, Maluf, F.V, Hunter, W.N. 登録日 2012-08-01 公開日 2012-08-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure. FEBS J., 279, 2012
7C7N	Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative 分子名称: 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B 著者 Mima, M, Ushiyama, F. 登録日 2020-05-26 公開日 2020-10-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors. Bioorg.Med.Chem., 28, 2020
7CM8	High resolution crystal structure of M92A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae 分子名称: Cysteine synthase, GLYCEROL, SODIUM ION 著者 Kaushik, A, Rahisuddin, R, Saini, N, Kumaran, S. 登録日 2020-07-25 公開日 2020-08-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Molecular mechanism of selective substrate engagement and inhibitor disengagement of cysteine synthase. J.Biol.Chem., 296, 2020
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
4XN2	Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Leucine 分子名称: Aminopeptidase N, GLYCEROL, LEUCINE, ... 著者 Addlagatta, A, Gumpena, R. 登録日 2015-01-15 公開日 2016-03-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Leucine To Be Published
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
4BCX	gamma 2 adaptin EAR domain crystal structure 分子名称: 1,3-PROPANDIOL, AP-1 COMPLEX SUBUNIT GAMMA-LIKE 2, IMIDAZOLE 著者 Juergens, M.C, Voros, J, Rautureau, G, Shepherd, D, Pye, V.E, Muldoon, J, Johnson, C.M, Ashcroft, A, Freund, S.M.V, Ferguson, N. 登録日 2012-10-03 公開日 2013-07-10 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Hepatitis B Virus Pres1 Domain Hijacks Host Trafficking Proteins by Motif Mimicry. Nat.Chem.Biol., 9, 2013
4XN4	Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Methionine 分子名称: Aminopeptidase N, GLYCEROL, MALONATE ION, ... 著者 Addlagatta, A, Gumpena, R. 登録日 2015-01-15 公開日 2016-03-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Methionine To Be Published
2Y7X	The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs 分子名称: 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... 著者 Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. 登録日 2011-02-02 公開日 2011-03-16 最終更新日 2017-06-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
7CI4	Crystal structure of P.aeruginosa LpxC in complex with inhibitor 分子名称: (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ... 著者 Mima, M, Baker, L.M, Surgenor, A, Robertson, A. 登録日 2020-07-07 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
7C2W	Crystal Structure of IRAK4 kinase in complex with a small molecule inhibitor 分子名称: Interleukin-1 receptor-associated kinase 4, N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide 著者 Krishnamurthy, N.R, Anirudha, L. 登録日 2020-05-09 公開日 2020-11-25 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. Acs Med.Chem.Lett., 11, 2020
4XN7	Crystal Structure of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid 分子名称: Aminopeptidase N, DIAMINOPROPANOIC ACID, GLYCEROL, ... 著者 Addlagatta, A, Gumpena, R. 登録日 2015-01-15 公開日 2016-03-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Crystal Structure of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid To Be Published
7CI9	Crystal structure of P.aeruginosa LpxC in complex with inhibitor 分子名称: 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... 著者 Mima, M, Baker, L.M, Surgenor, A, Robertson, A. 登録日 2020-07-07 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
4KQ3	Crystal structure of Anti-IL-17A antibody CNTO3186 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CNTO3186 heavy chain, ... 著者 Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. 登録日 2013-05-14 公開日 2014-03-26 最終更新日 2019-12-25 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structural evidence for a constrained conformation of short CDR-L3 in antibodies. Proteins, 82, 2014
4XND	Crystal Structure of E. coli Aminopeptidase N in complex with L-Beta Homotryptophan 分子名称: (3S)-3-AMINO-4-(1H-INDOL-3-YL)BUTANOIC ACID, Aminopeptidase N, GLYCEROL, ... 著者 Addlagatta, A, Gumpena, R. 登録日 2015-01-15 公開日 2016-03-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Crystal Structure of E. coli Aminopeptidase N in complex with L-Beta Homotryptophan To Be Published
7CI5	Crystal structure of P.aeruginosa LpxC in complex with inhibitor 分子名称: (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... 著者 Mima, M, Baker, L.M, Surgenor, A, Robertson, A. 登録日 2020-07-07 公開日 2020-12-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity. J.Med.Chem., 63, 2020
4K14	Crystal Structure of Staphylococcal nuclease mutant V66I/V99L 分子名称: Thermonuclease 著者 Janowska, K, Sakon, J, Stites, W.E. 登録日 2013-04-04 公開日 2013-04-17 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 Crystal Structure of Staphylococcal nuclease mutant V66I/V99L TO BE PUBLISHED
4B4W	Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and an inhibitor 分子名称: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... 著者 Eadsforth, T.C, Maluf, F.V, Hunter, W.N. 登録日 2012-08-01 公開日 2012-08-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure. FEBS J., 279, 2012
4KL7	Crystal structure of the catalytic domain of RpfB from Mycobacterium tuberculosis 分子名称: Resuscitation-promoting factor RpfB, SULFATE ION 著者 Squeglia, F, Romano, M, Ruggiero, A, Berisio, R. 登録日 2013-05-07 公開日 2013-06-26 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Carbohydrate Recognition by RpfB from Mycobacterium tuberculosis Unveiled by Crystallographic and Molecular Dynamics Analyses. Biophys.J., 104, 2013
2YKD	Structure of the matrix protein from human respiratory syncytial virus 分子名称: ACETATE ION, MATRIX PROTEIN 著者 McPhee, H.K, Carlisle, J.L, Beeby, A, Money, V.A, Watson, S.M.D, Yeo, R.P, Sanderson, J.M. 登録日 2011-05-26 公開日 2011-06-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Influence of Lipids on the Interfacial Disposition of Respiratory Syncytical Virus Matrix Protein. Langmuir, 27, 2011
4B42	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 2012-07-27 公開日 2012-10-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.505 Å) 主引用文献 Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
4KSS	Crystal Structure of Vibrio cholerae ATPase GspsE Hexamer 分子名称: Type II secretion system protein E, hemolysin-coregulated protein 著者 Hol, W.G, Turley, S, Lu, C.Y, Park, Y.J. 登録日 2013-05-17 公開日 2013-09-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (7.58 Å) 主引用文献 Hexamers of the Type II Secretion ATPase GspE from Vibrio cholerae with Increased ATPase Activity. Structure, 21, 2013
4K3O	E. coli sliding clamp in complex with AcQADLF 分子名称: (ACE)QADLF, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-04-11 公開日 2013-05-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
2YB7	CBM62 in complex with 6-alpha-D-Galactosyl-mannotriose 分子名称: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ... 著者 Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, McKee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J. 登録日 2011-03-02 公開日 2011-08-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization. J.Biol.Chem., 286, 2011
4XMU	Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Alanine 分子名称: ALANINE, Aminopeptidase N, GLYCEROL, ... 著者 Addlagatta, A, Gumpena, R, Kishor, C. 登録日 2015-01-15 公開日 2016-03-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N To Be Published

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