3S2A
 
 | | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | | 分子名称: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2011-05-16 | | 公開日 | 2011-06-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011
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3OCX
 | | Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 2'-AMP | | 分子名称: | ADENOSINE-2'-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION | | 著者 | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | | 登録日 | 2010-08-10 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
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2RU8
 | | DnaT C-terminal domain | | 分子名称: | Primosomal protein 1 | | 著者 | Abe, Y, Tani, J, Fujiyama, S, Urabe, M, Sato, K, Aramaki, T, Katayama, T, Ueda, T. | | 登録日 | 2014-01-29 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and mechanism of the primosome protein DnaT-functional structures for homotrimerization, dissociation of ssDNA from the PriB·ssDNA complex, and formation of the DnaT·ssDNA complex.
Febs J., 281, 2014
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3OCW
 | | Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 3'-AMP | | 分子名称: | Lipoprotein E, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate | | 著者 | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | | 登録日 | 2010-08-10 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
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4DPH
 | | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH | | 分子名称: | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | 著者 | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | 登録日 | 2012-02-13 | | 公開日 | 2012-11-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DP3
 | | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P218 and NADPH | | 分子名称: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | 登録日 | 2012-02-13 | | 公開日 | 2012-11-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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3P8C
 | | Structure and Control of the Actin Regulatory WAVE Complex | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Abl interactor 2, CHLORIDE ION, ... | | 著者 | Chen, Z, Borek, D, Padrick, S.B, Gomez, T.S, Metlagel, Z, Ismail, A.M, Umetani, J, Billadeau, D.D, Otwinowski, Z, Rosen, M.K. | | 登録日 | 2010-10-13 | | 公開日 | 2010-12-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structure and control of the actin regulatory WAVE complex.
Nature, 468, 2010
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4DPD
 | | WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, DIHYDROFOLIC ACID, ... | | 著者 | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | 登録日 | 2012-02-13 | | 公開日 | 2012-11-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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3OCV
 | | Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with 5'-AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION | | 著者 | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | | 登録日 | 2010-08-10 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.551 Å) | | 主引用文献 | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
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3OCY
 | | Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase Complexed with inorganic phosphate | | 分子名称: | Lipoprotein E, MAGNESIUM ION, PHOSPHATE ION | | 著者 | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | | 登録日 | 2010-08-10 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
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6HYK
 | | NMR solution structure of the C/D box snoRNA U14 | | 分子名称: | RNA (31-MER) | | 著者 | Chagot, M.E, Quinternet, M, Rothe, B, Charpentier, B, Coutant, J, Manival, X, Lebars, I. | | 登録日 | 2018-10-22 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The yeast C/D box snoRNA U14 adopts a "weak" K-turn like conformation recognized by the Snu13 core protein in solution.
Biochimie, 164, 2019
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3OCU
 | | Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with NMN | | 分子名称: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION | | 著者 | Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J. | | 登録日 | 2010-08-10 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
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4BHI
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate | | 分子名称: | 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | 著者 | Tars, K, Leitans, J, Kazaks, A. | | 登録日 | 2013-04-03 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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2HZ4
 | | Abl kinase domain unligated and in complex with tetrahydrostaurosporine | | 分子名称: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1 | | 著者 | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | 登録日 | 2006-08-08 | | 公開日 | 2007-01-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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4C5W
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Ethyldimethylammonio)butanoate | | 分子名称: | GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ... | | 著者 | Tars, K, Leitans, J, Kazaks, A. | | 登録日 | 2013-09-16 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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2M3W
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4BHF
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate | | 分子名称: | 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | 著者 | Tars, K, Leitans, J, Kazaks, A. | | 登録日 | 2013-04-02 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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2HZ0
 | | Abl kinase domain in complex with NVP-AEG082 | | 分子名称: | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | | 著者 | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | 登録日 | 2006-08-08 | | 公開日 | 2007-01-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2HYY
 | | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | | 分子名称: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | | 著者 | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | 登録日 | 2006-08-08 | | 公開日 | 2007-01-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2MOQ
 | | Solution Structure and Molecular determinants of Hemoglobin Binding of the first NEAT Domain of IsdB in Staphylococcus aureus | | 分子名称: | Iron-regulated surface determinant protein B | | 著者 | Fonner, B.A, Tripet, B.P, Eilers, B.J, Stanisich, J, Sullivan-Springhetti, R.K, Moore, R, Lui, M, Lei, B, Copie, V. | | 登録日 | 2014-04-29 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure and Molecular Determinants of Hemoglobin Binding of the First NEAT Domain of IsdB in Staphylococcus aureus.
Biochemistry, 53, 2014
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2G94
 | | Crystal structure of beta-secretase bound to a potent and highly selective inhibitor. | | 分子名称: | Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE | | 著者 | Hong, L, Ghosh, A, Tang, J. | | 登録日 | 2006-03-05 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
J.Am.Chem.Soc., 128, 2006
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4BG1
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 1-(3-Carboxypropyl)-1-methylpyrrolidin-1-ium chloride | | 分子名称: | 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | 著者 | Tars, K, Leitans, J, Kazaks, A. | | 登録日 | 2013-03-22 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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4BGM
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1- aminium chloride | | 分子名称: | 3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | 著者 | Tars, K, Leitans, J, Kazaks, A. | | 登録日 | 2013-03-27 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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2HZI
 | | Abl kinase domain in complex with PD180970 | | 分子名称: | 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Proto-oncogene tyrosine-protein kinase ABL1 | | 著者 | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | 登録日 | 2006-08-09 | | 公開日 | 2007-01-16 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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5G3L
 | | ESCHERICHIA COLI HEAT LABILE ENTEROTOXIN TYPE IIB B-PENTAMER COMPLEXED WITH SIALYLATED SUGAR | | 分子名称: | HEAT-LABILE ENTEROTOXIN IIB, B CHAIN, N-acetyl-alpha-neuraminic acid, ... | | 著者 | Zalem, D, Benktander, J, Ribeiro, J.P, Varrot, A, Lebens, M, Imberty, A, Teneberg, S. | | 登録日 | 2016-04-29 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Biochemical and Structural Characterization of the Novel Sialic Acid-Binding Site of Escherichia Coli Heat-Labile Enterotoxin Lt-Iib.
Biochem.J., 473, 2016
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