4CAU
 
 | | THREE-DIMENSIONAL STRUCTURE OF DENGUE VIRUS SEROTYPE 1 COMPLEXED WITH 2 HMAB 14C10 FAB | | 分子名称: | ENVELOPE PROTEIN E, FAB 14C10 | | 著者 | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A.P, Tan, T.T, Yip, A, Schul, W, Aung, M, Kostyuchenko, V.A, Leo, Y.S, Chan, S.H, Smith, K.G, Chan, A.H, Zou, G, Ooi, E.E, Kemeny, D.M, Tan, G.K, Ng, J.K, Ng, M.L, Alonso, S, Fisher, D, Shi, P.Y, Hanson, B.J, Lok, S.M, Macary, P.A. | | 登録日 | 2013-10-09 | | 公開日 | 2013-10-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (7 Å) | | 主引用文献 | The Structural Basis for Serotype-Specific Neutralization of Dengue Virus by a Human Antibody.
Sci.Trans.Med, 4, 2012
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1AXO
 | | STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES | | 分子名称: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC) | | 著者 | Feng, B, Gorin, A.A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | | 登録日 | 1997-10-16 | | 公開日 | 1998-07-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural alignment of the (+)-trans-anti-benzo[a]pyrene-dG adduct positioned opposite dC at a DNA template-primer junction.
Biochemistry, 36, 1997
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2WH5
 | | Crystal structure of human acyl-CoA binding domain 4 complexed with stearoyl-CoA | | 分子名称: | ACYL-COA-BINDING DOMAIN-CONTAINING PROTEIN 4, COENZYME A, STEARIC ACID, ... | | 著者 | Yue, W.W, Shafqat, N, Ugochukwu, E, Savitsky, P, Johansson, C, Salah, E, Roos, A.K, Chaikuad, A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | 登録日 | 2009-04-30 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of Human Acyl-Coa Binding Domain 4
To be Published
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4C2I
 | | Cryo-EM structure of Dengue virus serotype 1 complexed with Fab fragments of human antibody 1F4 | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Fibriansah, G, Tan, J.L, de Alwis, R, Smith, S.A, Ng, T.-S, Kostyuchenko, V.A, Ibarra, K.D, Harris, E, de Silva, A, Crowe Junior, J.E, Lok, S.-M. | | 登録日 | 2013-08-18 | | 公開日 | 2014-01-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (6 Å) | | 主引用文献 | A Potent Anti-Dengue Human Antibody Preferentially Recognizes the Conformation of E Protein Monomers Assembled on the Virus Surface.
Embo Mol.Med., 6, 2014
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1JZL
 | | Crystal structure of Sapharca inaequivalvis HbI, I114M mutant ligated to carbon monoxide. | | 分子名称: | CARBON MONOXIDE, GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | | 登録日 | 2001-09-16 | | 公開日 | 2001-12-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal
Contributions to Cooperativity.
Biochemistry, 40, 2001
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5TMN
 | | Slow-and fast-binding inhibitors of thermolysin display different modes of binding. crystallographic analysis of extended phosphonamidate transition-state analogues | | 分子名称: | CALCIUM ION, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine, THERMOLYSIN, ... | | 著者 | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | | 登録日 | 1987-06-29 | | 公開日 | 1989-01-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
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2CKM
 | | Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE | | 著者 | Brumshtein, B, Rydberg, E.H, Greenblatt, H.M, Wong, D.M, Shaya, D, Williams, L.D, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L. | | 登録日 | 2006-04-20 | | 公開日 | 2006-09-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
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5JDY
 | | Crystal structure of Burkholderia glumae ToxA Y7F mutant with bound S-adenosylhomocysteine (SAH) and toxoflavin | | 分子名称: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Methyl transferase, ... | | 著者 | Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E. | | 登録日 | 2016-04-17 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
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8BT7
 | | Notum Inhibitor ARUK3004903 | | 分子名称: | 1,2-ETHANEDIOL, 1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2022-11-28 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8F21
 | | Structure of a 30mer DegP cage bound to the client protein hTRF1 | | 分子名称: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | | 著者 | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | | 登録日 | 2022-11-06 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (14.1 Å) | | 主引用文献 | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP.
J.Am.Chem.Soc., 145, 2023
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2VUB
 | | CCDB, A TOPOISOMERASE POISON FROM E. COLI | | 分子名称: | CCDB, CHLORIDE ION | | 著者 | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | | 登録日 | 1998-04-21 | | 公開日 | 1998-06-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
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8F0A
 | | Client-bound structure of a DegP trimer within a 12mer cage | | 分子名称: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | | 著者 | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | | 登録日 | 2022-11-02 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP.
J.Am.Chem.Soc., 145, 2023
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2VNV
 | | Crystal structure of BclA lectin from burkholderia cenocepacia in complex with alpha-methyl-mannoside at 1.7 Angstrom resolution | | 分子名称: | BCLA, CALCIUM ION, SULFATE ION, ... | | 著者 | Lameignere, E, Malinovska, L, Mitchell, E.P, Imberty, A, Wimmerova, M. | | 登録日 | 2008-02-07 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Basis for Mannose Recognition by a Lectin from Opportunistic Bacteria Burkholderia Cenocepacia
Biochem.J., 411, 2008
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8BTC
 | | Notum Inhibitor ARUK3004558 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2022-11-28 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8BT5
 | | Notum Inhibitor ARUK3004877 | | 分子名称: | 1,2-ETHANEDIOL, 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2022-11-27 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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5J4V
 | | The crystal structure of Inhibitor Bound to JCV Helicase | | 分子名称: | 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ... | | 著者 | Ter Haar, E. | | 登録日 | 2016-04-01 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
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8BTI
 | | Notum Inhibitor ARUK3004556 | | 分子名称: | 1,2-ETHANEDIOL, 1-(4-chloranylindol-1-yl)-2-methoxy-ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2022-11-28 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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1JKJ
 | | E. coli SCS | | 分子名称: | COENZYME A, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Fraser, M.E. | | 登録日 | 2001-07-12 | | 公開日 | 2002-01-30 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Two glutamate residues, Glu 208 alpha and Glu 197 beta, are crucial for phosphorylation and dephosphorylation of the active-site histidine residue in succinyl-CoA synthetase.
Biochemistry, 41, 2002
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6UD7
 | | Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam | | 分子名称: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ... | | 著者 | Bussiere, D.E, Shu, W, Xie, L, Knapp, M. | | 登録日 | 2019-09-18 | | 公開日 | 2019-12-18 | | 最終更新日 | 2020-01-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
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8BSP
 | | Notum Inhibitor ARUK3006560 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2022-11-26 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8BSQ
 | | Notum Inhibitor ARUK3006561 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2022-11-26 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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5JHA
 | | Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2 | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | | 著者 | Burke, J.E, Inglis, A.J, Williams, R.L. | | 登録日 | 2016-04-20 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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4TNW
 | | C. elegans glutamate-gated chloride channel (GluCl) in complex with Fab and POPC in a lipid-modulated conformation | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Avermectin-sensitive glutamate-gated chloride channel GluCl alpha, ... | | 著者 | Althoff, T, Hibbs, R.E, Banerjee, S, Gouaux, E. | | 登録日 | 2014-06-05 | | 公開日 | 2014-08-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | X-ray structures of GluCl in apo states reveal a gating mechanism of Cys-loop receptors.
Nature, 512, 2014
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8BSR
 | | Notum Inhibitor ARUK3006562 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2022-11-26 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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8BT2
 | | Notum Inhibitor ARUK3004876 | | 分子名称: | 1,2-ETHANEDIOL, 1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2022-11-27 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity.
Eur.J.Med.Chem., 251, 2023
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