PDB: 243531 件ウェブページステータス検索Chemie searchBIRD

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4OVL	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 1,2-ETHANEDIOL, 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid, ACETIC ACID, ... 著者 Peat, T.S. 登録日 2013-11-21 公開日 2014-03-05 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interrogating HIV integrase for compounds that bind--a SAMPL challenge. J. Comput. Aided Mol. Des., 28, 2014
2VWW	ephB4 kinase domain inhibitor complex 分子名称: EPHRIN TYPE-B RECEPTOR 4, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE 著者 Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. 登録日 2008-06-27 公開日 2008-07-08 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines Bioorg.Med.Chem.Lett., 18, 2008
4AUU	Crystal structure of apo FimH lectin domain at 1.5 A resolution 分子名称: 1,2-ETHANEDIOL, FIMH, NICKEL (II) ION, ... 著者 Wellens, A, Lahmann, M, Touaibia, M, Vaucher, J, Oscarson, S, Roy, R, Remaut, H, Bouckaert, J. 登録日 2012-05-22 公開日 2012-06-27 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh. Biochemistry, 51, 2012
2VWU	ephB4 kinase domain inhibitor complex 分子名称: EPHRIN TYPE-B RECEPTOR 4, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine 著者 Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Rowsell, S, Packer, M, McAlister, M. 登録日 2008-06-27 公開日 2008-07-08 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines Bioorg.Med.Chem.Lett., 18, 2008
4YMQ	X-ray co-structure of nuclear receptor ROR-GAMMAT + SRC2 peptide with a benzothiadiazole dioxide inverse agonist 分子名称: 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide, GLYCEROL, Nuclear receptor ROR-gamma, ... 著者 li, X. 登録日 2015-03-07 公開日 2015-04-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide analogs as new RORC modulators. Bioorg.Med.Chem.Lett., 25, 2015
3UZQ	Crystal structure of the dengue virus serotype 1 envelope protein domain III in complex with the variable domains of Mab 4E11 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... 著者 Cockburn, J.J.B, Navarro Sanchez, M.E, Fretes, N, Urvoas, A, Staropoli, I, Kikuti, C.M, Coffey, L.L, Arenzana Seisdedos, F, Bedouelle, H, Rey, F.A. 登録日 2011-12-07 公開日 2012-02-22 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Mechanism of dengue virus broad cross-neutralization by a monoclonal antibody. Structure, 20, 2012
2VWV	ephB4 kinase domain inhibitor complex 分子名称: EPHRIN TYPE-B RECEPTOR 4, N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE 著者 Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Kettle, J.G, Leach, A.G. 登録日 2008-06-27 公開日 2008-07-08 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines Bioorg.Med.Chem.Lett., 18, 2008
3UL6	Saccharum officinarum canecystatin-1 in space group P6422 分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Canecystatin-1 著者 Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C. 登録日 2011-11-10 公開日 2012-12-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 X-ray crystallography and NMR studies of domain-swapped canecystatin-1. Febs J., 280, 2013
1ZB6	Co-Crystal Structure of ORF2 an Aromatic Prenyl Transferase from Streptomyces sp. strain cl190 complexed with GSPP and 1,6-dihydroxynaphtalene 分子名称: 1,6-DIHYDROXY NAPHTHALENE, Aromatic prenyltransferase, GERANYL S-THIOLODIPHOSPHATE, ... 著者 Kuzuyama, T, Noel, J.P, Richard, S.B. 登録日 2005-04-07 公開日 2005-06-21 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural basis for the promiscuous biosynthetic prenylation of aromatic natural products. Nature, 435, 2005
4RWV	Crystal structure of PIP3 bound human nuclear receptor LRH-1 (Liver Receptor Homolog 1, NR5A2) in complex with a co-regulator DAX-1 (NR0B1) peptide at 1.86 A resolution 分子名称: (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) 登録日 2014-12-05 公開日 2015-01-21 最終更新日 2025-10-22 実験手法 X-RAY DIFFRACTION (1.859 Å) 主引用文献 Crystal structure of a Homo sapiens hepatocytic transcription factor hB1F-2 (B1F2) in complex with nuclear receptor subfamily 0 group B member 1 (NR0B1, residues 140-154) from human at 1.86 A resolution To be published
4KSE	Crystal structure of a HIV p51 (219-230) deletion mutant 分子名称: 1,2-ETHANEDIOL, HIV p51 subunit 著者 Zheng, X, Mueller, G.A, Derose, E.F, Pedersen, L.C, Gabel, S.A, Cuneo, M.J, Krahn, J.M, London, R.E. 登録日 2013-05-17 公開日 2014-08-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.677 Å) 主引用文献 Selective unfolding of one Ribonuclease H domain of HIV reverse transcriptase is linked to homodimer formation. Nucleic Acids Res., 42, 2014
5YLF	MCR-1 complex with D-glucose 分子名称: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-D-glucopyranose 著者 Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. 登録日 2017-10-17 公開日 2017-11-08 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance. FASEB J., 32, 2018
4MU1	The structure of wt A. thaliana IGPD2 in complex with Mn2+, imidazole, and sulfate at 1.5 A resolution 分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, Imidazoleglycerol-phosphate dehydratase 2, ... 著者 Bisson, C, Britton, K.L, Sedelnikova, S.E, Baker, P.J, Rice, D.W. 登録日 2013-09-20 公開日 2014-09-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination. Structure, 23, 2015
9F02	HIV-1 envelope glycoprotein (BG505 gp140 SOSIP.664) trimer in complex with three copies of ELC07 broadly neutralizing antibody. 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, ELC07 heavy chain, ... 著者 Hope, J, Alguel, Y, Nans, A, Cherepanov, P. 登録日 2024-04-15 公開日 2025-04-23 最終更新日 2025-07-09 実験手法 ELECTRON MICROSCOPY (3.02 Å) 主引用文献 TITLE: Preservation of memory B cell homeostasis in an individual producing broadly neutralizing antibodies against HIV-1 To Be Published
7YU6	Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state2 分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... 著者 Akasaka, H, Shihoya, W, Nureki, O. 登録日 2022-08-16 公開日 2022-10-05 最終更新日 2024-11-06 実験手法 ELECTRON MICROSCOPY (3.9 Å) 主引用文献 Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist. Nat Commun, 13, 2022
7YU5	Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state1 分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... 著者 Akasaka, H, Shihoya, W, Nureki, O. 登録日 2022-08-16 公開日 2022-10-05 最終更新日 2024-11-20 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist. Nat Commun, 13, 2022
7YU3	Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556 分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... 著者 Akasaka, H, Shihoya, W, Nureki, O. 登録日 2022-08-16 公開日 2022-10-05 最終更新日 2024-11-13 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist. Nat Commun, 13, 2022
7YU8	Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state4 分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... 著者 Akasaka, H, Shihoya, W, Nureki, O. 登録日 2022-08-16 公開日 2022-10-05 最終更新日 2024-11-20 実験手法 ELECTRON MICROSCOPY (5.6 Å) 主引用文献 Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist. Nat Commun, 13, 2022
2HBF	HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES 分子名称: HEMOGLOBIN A (N-PROPYL ISOCYANIDE) (ALPHA CHAIN), HEMOGLOBIN A (N-PROPYL ISOCYANIDE) (BETA CHAIN), N-PROPYL ISOCYANIDE, ... 著者 Johnson, K.A, Olson, J.S, Phillips Jr, G.N. 登録日 1994-08-31 公開日 1995-02-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes Thesis, 1, 1993
7YU7	Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state3 分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... 著者 Akasaka, H, Shihoya, W, Nureki, O. 登録日 2022-08-16 公開日 2022-10-05 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (4.5 Å) 主引用文献 Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist. Nat Commun, 13, 2022
2VLB	Structure of unliganded arylmalonate decarboxylase 分子名称: 1,2-ETHANEDIOL, ARYLMALONATE DECARBOXYLASE, BETA-MERCAPTOETHANOL, ... 著者 Kuettner, E.B, Keim, A, Kircher, M, Rosmus, S, Strater, N. 登録日 2008-01-11 公開日 2008-03-18 最終更新日 2025-04-09 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Active Site Mobility Revealed by the Crystal Structure of Arylmalonate Decarboxylase from Bordetella Bronchiseptica J.Mol.Biol., 377, 2008
1VKJ	Crystal structure of heparan sulfate 3-O-sulfotransferase isoform 1 in the presence of PAP 分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, SULFATE ION, heparan sulfate (glucosamine) 3-O-sulfotransferase 1 著者 Thorp, S, Lee, K.A, Negishi, M, Linhardt, R.J, Liu, J, Pedersen, L.C. 登録日 2004-05-25 公開日 2004-06-01 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure and mutational analysis of heparan sulfate 3-O-sulfotransferase isoform 1 J.Biol.Chem., 279, 2004
6B6U	Pyruvate Kinase M2 mutant - S437Y 分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... 著者 Srivastava, D, Dey, M. 登録日 2017-10-03 公開日 2017-12-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Structural Investigation of a Dimeric Variant of Pyruvate Kinase Muscle Isoform 2. Biochemistry, 56, 2017
3DN0	Pentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant 分子名称: 1,2,3,4,5-pentafluorobenzene, 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ... 著者 Liu, L, Matthews, B.W. 登録日 2008-07-01 公開日 2008-11-11 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding. J.Mol.Biol., 385, 2009
5FDI	Crystal structure of Human Carbonic Anhydrase II with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog. 分子名称: 1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... 著者 Di Fiore, A, De Simone, G, Alterio, V, Riccio, V, Winum, J.-Y, Carta, F, Supuran, C.T. 登録日 2015-12-16 公開日 2016-05-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 The anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies. Org.Biomol.Chem., 14, 2016

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