4OFT
 
 | | C- Orthorombic NaGST1 | | 分子名称: | Glutathione S-transferase-1 | | 著者 | Asojo, O.A. | | 登録日 | 2014-01-15 | | 公開日 | 2014-12-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of glutathione S-transferase 1 from the major human hookworm parasite Necator americanus (Na-GST-1) in complex with glutathione.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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4PM9
 | | Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase in complex with cefotaxime at 1.45 Angstroms resolution | | 分子名称: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14 | | 著者 | Cardenas, A.M, Adamski, C.J, Sankaran, B, Brown, N.G, Horton, L.B, Palzkill, T. | | 登録日 | 2014-05-20 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | | 主引用文献 | Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
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4EYJ
 | | MAPK13 Complex with inhibitor | | 分子名称: | 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea, Mitogen-activated protein kinase 13 | | 著者 | Miller, C.A, Brett, T.J. | | 登録日 | 2012-05-01 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | | 主引用文献 | IL-13-induced airway mucus production is attenuated by MAPK13 inhibition.
J.Clin.Invest., 122, 2012
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1ZWS
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3N6Z
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2GB5
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1ONP
 | | IspC complex with Mn2+ and fosmidomycin | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION | | 著者 | Steinbacher, S, Kaiser, J, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | | 登録日 | 2003-02-28 | | 公開日 | 2003-03-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol
4-phosphate synthase (IspC). Implications for the catalytic mechanism and anti-malaria
drug development.
J.BIOL.CHEM., 278, 2003
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4HMZ
 | | Crystal Structure of ChmJ, a 3'-monoepimerase from Streptomyces bikiniensis in complex with dTDP-quinovose | | 分子名称: | 1,2-ETHANEDIOL, Putative 3-epimerase in D-allose pathway, [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate | | 著者 | Holden, H.M, Kubiak, R.L. | | 登録日 | 2012-10-18 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and Functional Studies on a 3'-Epimerase Involved in the Biosynthesis of dTDP-6-deoxy-d-allose.
Biochemistry, 51, 2012
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7KV2
 | | Surface glycan-binding protein A from Bacteroides thetaiotaomicron | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RagB/SusD family nutrient uptake outer membrane protein, ... | | 著者 | Tamura, K, Brumer, H, Van Petegem, F. | | 登録日 | 2020-11-26 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Distinct protein architectures mediate species-specific beta-glucan binding and metabolism in the human gut microbiota.
J.Biol.Chem., 296, 2021
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3BQN
 | | LFA-1 I domain bound to inhibitors | | 分子名称: | 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine, Integrin alpha-L | | 著者 | Silvian, L.F. | | 登録日 | 2007-12-20 | | 公開日 | 2008-08-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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4HTQ
 | | Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 6.70 x 10e+11 X-ray photons | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | 著者 | Duke, N.E.C, Finfrock, Y.Z, Stern, E.Z, Alkire, R.W, Lazarski, K, Joachimiak, A. | | 登録日 | 2012-11-01 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | | 主引用文献 | Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing.
Acta Crystallogr.,Sect.D, 69, 2013
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3BRD
 | | CSL (Lag-1) bound to DNA with Lin-12 RAM peptide, P212121 | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DCP*DCP*DCP*DAP*DCP*DAP*DGP*DT)-3'), DNA (5'-D(*DTP*DTP*DAP*DCP*DTP*DGP*DTP*DGP*DGP*DGP*DAP*DAP*DAP*DGP*DA)-3'), ... | | 著者 | Wilson, J.J, Kovall, R.A. | | 登録日 | 2007-12-21 | | 公開日 | 2008-04-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | RAM-induced Allostery Facilitates Assembly of a Notch Pathway Active Transcription Complex.
J.Biol.Chem., 283, 2008
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5RGQ
 | | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086) | | 分子名称: | 1-(4-fluoro-2-methylphenyl)methanesulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | | 登録日 | 2020-04-07 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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4OKG
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1MTS
 | | FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN | | 分子名称: | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID, CALCIUM ION, TRYPSIN | | 著者 | Stubbs, M.T. | | 登録日 | 1997-05-16 | | 公開日 | 1997-08-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of factor Xa specific inhibitors in complex with trypsin: structural grounds for inhibition of factor Xa and selectivity against thrombin.
FEBS Lett., 375, 1995
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4BVH
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND 2'-O-ACETYL-ADP-RIBOSE | | 分子名称: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 1,2-ETHANEDIOL, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, ... | | 著者 | Gertz, M, Weyand, M, Steegborn, C. | | 登録日 | 2013-06-25 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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7L7X
 | | X-ray structure of the Pcryo_0638 aminotransferase from Psychrobacter cryohalolentis | | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DegT/DnrJ/EryC1/StrS aminotransferase, ... | | 著者 | Linehan, M.P, Thoden, J.B, Holden, H.M. | | 登録日 | 2020-12-30 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Characterization of two enzymes from Psychrobacter cryohalolentis that are required for the biosynthesis of an unusual diacetamido-d-sugar.
J.Biol.Chem., 296, 2021
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4RYL
 | | Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | | 分子名称: | 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION | | 著者 | Dong, A, Dobrovetsky, E, Kaniskan, H.U, Szewczyk, M, Yu, Z, Eram, M.S, Yang, X, Schmidt, K, Luo, X, Dai, M, He, F, Zang, I, Lin, Y, Kennedy, S, Li, F, Tempel, W, Smil, D, Min, S.J, Landon, M, Lin-Jones, J, Huang, X.P, Roth, B.L, Schapira, M, Atadja, P, Barsyte-Lovejoy, D, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Zhao, K, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | 登録日 | 2014-12-15 | | 公開日 | 2015-02-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3).
Angew.Chem.Int.Ed.Engl., 54, 2015
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1Y6G
 | | alpha-glucosyltransferase in complex with UDP and a 13_mer DNA containing a HMU base at 2.8 A resolution | | 分子名称: | 1,2-ETHANEDIOL, 5'-D(*CP*TP*AP*TP*CP*TP*GP*AP*GP*TP*AP*T)-3', 5'-D(*GP*AP*TP*AP*CP*TP*(5HU)P*AP*GP*AP*TP*AP*G)-3', ... | | 著者 | Lariviere, L, Sommer, N, Morera, S. | | 登録日 | 2004-12-06 | | 公開日 | 2005-08-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural evidence of a passive base-flipping mechanism for AGT, an unusual GT-B glycosyltransferase.
J.Mol.Biol., 352, 2005
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1DVL
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4E90
 | | Human phosphodiesterase 9 in complex with inhibitors | | 分子名称: | 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-03-20 | | 公開日 | 2013-02-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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3ACC
 | | Crystal structure of hypoxanthine-guanine phosphoribosyltransferase with GMP from Thermus thermophilus HB8 | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase | | 著者 | Kanagawa, M, Baba, S, Hirotsu, K, Kuramitsu, S, Yokoyama, S, Kawai, G, Sampei, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2009-12-30 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structures of hypoxanthine-guanine phosphoribosyltransferase (TTHA0220) from Thermus thermophilus HB8.
Acta Crystallogr.,Sect.F, 66, 2010
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7E4C
 | | Crystal structure of MIF bound to compound11 | | 分子名称: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, CHLORIDE ION, Macrophage migration inhibitory factor, ... | | 著者 | Fan, C.P, Guo, D.Y, Yang, L. | | 登録日 | 2021-02-11 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.644 Å) | | 主引用文献 | Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
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1EW2
 | | CRYSTAL STRUCTURE OF A HUMAN PHOSPHATASE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, PHOSPHATASE, ... | | 著者 | Le Du, M.H, Stigbrand, T, Taussig, M.J, Menez, A, Stura, E.A. | | 登録日 | 2000-04-21 | | 公開日 | 2001-04-04 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Crystal structure of alkaline phosphatase from human placenta at 1.8 A resolution. Implication for a substrate specificity.
J.Biol.Chem., 276, 2001
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3BLB
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