PDB: 3575 件ウェブページステータス検索Chemie searchBIRD

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3SZO	IspH:HMBPP complex after 3 minutes X-ray pre-exposure 分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER 著者 Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. 登録日 2011-07-19 公開日 2011-11-30 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis. J.Mol.Biol., 416, 2012
3SCM	Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-isoglobotrihexosylceramide 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, Antigen-presenting glycoprotein CD1d1, ... 著者 Clarke, A.J, Rossjohn, J. 登録日 2011-06-08 公開日 2011-10-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Recognition of beta-linked self glycolipids mediated by natural killer T cell antigen receptors Nat.Immunol., 12, 2011
3SDX	Crystal structure of human autoreactive-Valpha24 NKT TCR in complex with CD1d-beta-galactosylceramide 分子名称: Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide, ... 著者 Clarke, A.J, Patel, O, Rossjohn, J. 登録日 2011-06-09 公開日 2011-10-05 実験手法 X-RAY DIFFRACTION (3.12 Å) 主引用文献 Recognition of beta-linked self glycolipids mediated by natural killer T cell antigen receptors Nat.Immunol., 12, 2011
3SMQ	Crystal structure of protein arginine methyltransferase 3 分子名称: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ... 著者 Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC) 登録日 2011-06-28 公開日 2011-08-31 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 An allosteric inhibitor of protein arginine methyltransferase 3. Structure, 20, 2012
3VEH	Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT 分子名称: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Bulloch, E.M, Chi, G, Manos-Turvey, A, Johnston, J.M, Baker, E.N, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) 登録日 2012-01-08 公開日 2012-06-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis. Biochemistry, 51, 2012
3VRI	HLA-B*57:01-RVAQLENVYI in complex with abacavir 分子名称: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... 著者 Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J. 登録日 2012-04-11 公開日 2012-05-30 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Immune self-reactivity triggered by drug-modified HLA-peptide repertoire Nature, 486, 2012
3UJL	Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2 分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL2, MAGNESIUM ION, ... 著者 Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E. 登録日 2011-11-07 公開日 2012-02-15 最終更新日 2012-03-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases. Science, 335, 2012
3UP0	Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid 分子名称: (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid, Nuclear receptor coactivator 2, aceDAF-12 著者 Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E. 登録日 2011-11-17 公開日 2011-12-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes. J.Biol.Chem., 287, 2012
3UTC	Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate 分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER 著者 Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M. 登録日 2011-11-25 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
3V8D	Crystal structure of human CYP7A1 in complex with 7-ketocholesterol 分子名称: (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC) 登録日 2011-12-22 公開日 2013-01-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of human CYP7A1 in complex with 7-ketocholesterol To be Published
3VR8	Mitochondrial rhodoquinol-fumarate reductase from the parasitic nematode Ascaris suum 分子名称: 2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ... 著者 Shimizu, H, Shiba, T, Inaoka, D.K, Osanai, A, Kita, K, Sakamoto, K, Harada, S. 登録日 2012-04-07 公開日 2012-07-11 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Crystal structure of mitochondrial quinol-fumarate reductase from the parasitic nematode Ascaris suum J.Biochem., 151, 2012
3VT9	Crystal structures of rat VDR-LBD with W282R mutation 分子名称: (1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor 著者 Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. 登録日 2012-05-19 公開日 2013-05-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands. J.Med.Chem., 56, 2013
3W0C	Crystal Structure Analysis of Vitamin D receptor 分子名称: (4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid, Vitamin D3 receptor 著者 Itoh, S, Iijima, S. 登録日 2012-10-29 公開日 2013-11-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 structure analysis of vitamin D receptor To be Published
3V50	Complex of SHV S130G mutant beta-lactamase complexed to SA2-13 分子名称: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, Beta-lactamase, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE 著者 Wei, K, van den Akker, F. 登録日 2011-12-15 公開日 2012-08-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 The importance of the trans-enamine intermediate as a beta-lactamase inhibition strategy probed in inhibitor-resistant SHV beta-lactamase variants. Chemmedchem, 7, 2012
3UPR	HLA-B*57:01 complexed to pep-V and Abacavir 分子名称: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... 著者 Pompeu, Y.A, Ostrov, D.A. 登録日 2011-11-18 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.999 Å) 主引用文献 Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire. Proc.Natl.Acad.Sci.USA, 109, 2012
3UWM	Ec_IspH in complex with 4-oxobutyl diphosphate (1302) 分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ... 著者 Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. 登録日 2011-12-02 公開日 2012-09-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
3VRJ	HLA-B*57:01-LTTKLTNTNI in complex with abacavir 分子名称: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... 著者 Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J. 登録日 2012-04-11 公開日 2012-05-30 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Immune self-reactivity triggered by drug-modified HLA-peptide repertoire Nature, 486, 2012
3W0Y	Crystal Structure Analysis of Vitamin D receptor 分子名称: Vitamin D3 receptor, [3-fluoro-2'-methyl-4'-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)biphenyl-4-yl]acetic acid 著者 Itoh, S, Iijima, S. 登録日 2012-11-05 公開日 2013-11-13 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Crystal Structure Analysis of Vitamin D receptor TO BE PUBLISHED
3TKY	Monolignol o-methyltransferase (momt) 分子名称: (Iso)eugenol O-methyltransferase, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, S-ADENOSYL-L-HOMOCYSTEINE 著者 Bhuiya, M.W, Liu, C.J. 登録日 2011-08-29 公開日 2012-08-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 An engineered monolignol 4-o-methyltransferase depresses lignin biosynthesis and confers novel metabolic capability in Arabidopsis. Plant Cell, 24, 2012
3U0P	Crystal structure of human CD1d-lysophosphatidylcholine 分子名称: (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ... 著者 Lopez-Sagaseta, J, Sibener, L.V, Adams, E.J. 登録日 2011-09-28 公開日 2012-04-25 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Lysophospholipid presentation by CD1d and recognition by a human Natural Killer T-cell receptor. Embo J., 31, 2012
3TX9	OYE1 complexed with 2-(Hydroxymethyl)-cyclopent-2-enone 分子名称: 2-(hydroxymethyl)cyclopent-2-en-1-one, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... 著者 Pompeu, Y.A, Stewart, J.D. 登録日 2011-09-22 公開日 2011-10-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.999 Å) 主引用文献 Studies of Enantioselectivity in OYE1 To be Published
3WD4	Serratia marcescens Chitinase B complexed with azide inhibitor and quinoline compound 分子名称: (E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine, Chitinase B, GLYCEROL, ... 著者 Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T. 登録日 2013-06-06 公開日 2013-09-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor Proc.Natl.Acad.Sci.USA, 110, 2013
3WHX	Crystal structure of anti-prostaglandin E2 Fab fragment PGE1 complex 分子名称: 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid, mAb Fab H fragment, mAb Fab L fragment 著者 Sugahara, M, Ago, H, Saino, H, Miyano, M. 登録日 2013-09-03 公開日 2014-09-10 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of anti-Prostaglandin E2 Fab fragment with Prostaglandin E2 To be Published
3W9R	Crystal structure of the high-affinity abscisic acid receptor PYL9/RCAR9 bound to ABA 分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL9, HEXAETHYLENE GLYCOL 著者 Nakagawa, M, Hirano, Y, Kagiyama, M, Shibata, N, Hakoshima, T. 登録日 2013-04-13 公開日 2014-04-09 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Mechanism of high-affinity abscisic acid binding to PYL9/RCAR1. Genes Cells, 19, 2014
3WNS	Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor 分子名称: CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ... 著者 Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. 登録日 2013-12-16 公開日 2014-03-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.658 Å) 主引用文献 Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015

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