6WJY
 
 | | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | | 分子名称: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lesburg, C.A, Lammens, A, Neumann, L. | | 登録日 | 2020-04-14 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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2G5W
 | | X-ray crystal structure of Arabidopsis thaliana 12-oxophytodienoate reductase isoform 3 (AtOPR3) in complex with 8-iso prostaglandin A1 and its cofactor, flavin mononucleotide. | | 分子名称: | (8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z,13E-DIEN-1-OIC ACID, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE | | 著者 | Han, B.W, Malone, T.E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Fox, B.G, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2006-02-23 | | 公開日 | 2006-04-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.576 Å) | | 主引用文献 | Crystal structure of Arabidopsis thaliana 12-oxophytodienoate reductase isoform 3 in complex with 8-iso prostaglandin A(1).
Proteins, 79, 2011
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3LZS
 | | Crystal Structure of HIV-1 CRF01_AE Protease in Complex with Darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 protease | | 著者 | Schiffer, C.A, Bandaranayake, R.M. | | 登録日 | 2010-03-01 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways.
J.Virol., 84, 2010
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3M18
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2FQW
 | | PnrA from Treponema pallidum as purified from E. coli (bound to inosine) | | 分子名称: | INOSINE, Membrane lipoprotein tmpC | | 著者 | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V. | | 登録日 | 2006-01-18 | | 公開日 | 2006-02-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | The PnrA (Tp0319; TmpC) lipoprotein represents a new family of bacterial purine nucleoside receptor encoded within an ATP-binding cassette (ABC)-like operon in Treponema pallidum
J.Biol.Chem., 281, 2006
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4FM9
 | | Human topoisomerase II alpha bound to DNA | | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), DNA topoisomerase 2-alpha, ... | | 著者 | Wendorff, T.J, Schmidt, B.H, Heslop, P, Austin, C.A, Berger, J.M. | | 登録日 | 2012-06-15 | | 公開日 | 2012-08-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.901 Å) | | 主引用文献 | The Structure of DNA-Bound Human Topoisomerase II Alpha: Conformational Mechanisms for Coordinating Inter-Subunit Interactions with DNA Cleavage.
J.Mol.Biol., 424, 2012
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4L2Z
 | | Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus complexed with SAE and PPi | | 分子名称: | DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2013-06-05 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.494 Å) | | 主引用文献 | Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
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3MGQ
 | | Binding of Nickel ions to the Nucleosome Core Particle | | 分子名称: | CHLORIDE ION, DNA (147-MER), Histone H2A, ... | | 著者 | Mohideen, K, Muhammad, R, Davey, C.A. | | 登録日 | 2010-04-07 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Perturbations in nucleosome structure from heavy metal association.
Nucleic Acids Res., 38, 2010
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2FZB
 | | Human Aldose Reductase complexed with four tolrestat molecules at 1.5 A resolution. | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase | | 著者 | Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G. | | 登録日 | 2006-02-09 | | 公開日 | 2006-10-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
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1PK1
 | | Hetero SAM domain structure of Ph and Scm. | | 分子名称: | Polyhomeotic-proximal chromatin protein, Sex comb on midleg CG9495-PA | | 著者 | Kim, C.A, Sawaya, M.R, Cascio, D, Kim, W, Bowie, J.U. | | 登録日 | 2003-06-04 | | 公開日 | 2005-02-15 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural organization of a Sex-comb-on-midleg/polyhomeotic copolymer.
J.Biol.Chem., 280, 2005
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1PK3
 | | Scm SAM domain | | 分子名称: | BETA-MERCAPTOETHANOL, Sex comb on midleg CG9495-PA | | 著者 | Kim, C.A, Sawaya, M.R, Cascio, D, Kim, W, Bowie, J.U. | | 登録日 | 2003-06-04 | | 公開日 | 2005-02-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural organization of a Sex-comb-on-midleg/polyhomeotic copolymer.
J.Biol.Chem., 280, 2005
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6BV5
 | | Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after 45-minute soak with juglone | | 分子名称: | 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, MANGANESE (II) ION, ... | | 著者 | Karasik, A, Wu, N, Fierke, C.A, Koutmos, M. | | 登録日 | 2017-12-12 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published
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3M5M
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3UTB
 | | Crystal Structure of Nucleosome Core Particle Assembled with the 146b Alpha-Satellite Sequence (NCP146b) | | 分子名称: | 146-mer DNA, Histone H2A, Histone H2B 1.1, ... | | 著者 | Chua, E.Y.D, Vasudevan, D, Davey, G.E, Wu, B, Davey, C.A. | | 登録日 | 2011-11-25 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The mechanics behind DNA sequence-dependent properties of the nucleosome
Nucleic Acids Res., 40, 2012
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2FQY
 | | PnrA from Treponema pallidum complexed with adenosine. | | 分子名称: | ADENOSINE, Membrane lipoprotein tmpC | | 著者 | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V. | | 登録日 | 2006-01-18 | | 公開日 | 2006-02-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The PnrA (Tp0319; TmpC) lipoprotein represents a new family of bacterial purine nucleoside receptor encoded within an ATP-binding cassette (ABC)-like operon in Treponema pallidum
J.Biol.Chem., 281, 2006
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6VLV
 | | Factor XIa in complex with compound 11 | | 分子名称: | 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide, CITRATE ANION, Coagulation factor XIa light chain | | 著者 | Lesburg, C.A. | | 登録日 | 2020-01-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2020-10-07 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
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3UPI
 | | Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors | | 分子名称: | (3S)-6-(2,5-difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase | | 著者 | Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G. | | 登録日 | 2011-11-18 | | 公開日 | 2012-01-25 | | 最終更新日 | 2012-02-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors.
Org.Lett., 14, 2012
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6CS0
 | | SARS Spike Glycoprotein, Trypsin-cleaved, Stabilized variant, one S1 CTD in an upwards conformation | | 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, Spike glycoprotein,Fibritin, ... | | 著者 | Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B. | | 登録日 | 2018-03-19 | | 公開日 | 2018-04-11 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
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3UPH
 | | Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors | | 分子名称: | 6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase | | 著者 | Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G. | | 登録日 | 2011-11-18 | | 公開日 | 2012-01-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors.
Org.Lett., 14, 2012
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1F9N
 | | CRYSTAL STRUCTURE OF AHRC, THE ARGININE REPRESSOR/ACTIVATOR PROTEIN FROM BACILLUS SUBTILIS | | 分子名称: | ARGININE REPRESSOR/ACTIVATOR PROTEIN | | 著者 | Dennis, C.A, Glykos, N.M, Parsons, M.R, Phillips, S.E.V. | | 登録日 | 2000-07-11 | | 公開日 | 2002-02-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The structure of AhrC, the arginine repressor/activator protein from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 58, 2002
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3M7T
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6W5E
 | | Class D beta-lactamase BSU-2 | | 分子名称: | 1,2-ETHANEDIOL, BSU-2 beta-lactamase, MALONATE ION | | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | 登録日 | 2020-03-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
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1Q1Q
 | | Crystal structure of human pregnenolone sulfotransferase (SULT2B1a) in the presence of PAP | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, ... | | 著者 | Lee, K.A, Fuda, H, Lee, Y.C, Negishi, M, Strott, C.A, Pedersen, L.C. | | 登録日 | 2003-07-22 | | 公開日 | 2003-11-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Crystal structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of pregnenolone
and 3'-phosphoadenosine 5'-phosphate. Rationale for specificity differences between prototypical
SULT2A1 and the SULT2BG1 isoforms.
J.Biol.Chem., 278, 2003
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1Q1Z
 | | Crystal structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of PAP | | 分子名称: | ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, sulfotransferase family, ... | | 著者 | Lee, K.A, Fuda, H, Lee, Y.C, Negishi, M, Strott, C.A, Pedersen, L.C. | | 登録日 | 2003-07-23 | | 公開日 | 2003-11-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of pregnenolone
and 3'-phosphoadenosine 5'-phosphate. Rationale for specificity differences between prototypical
SULT2A1 and the SULT2BG1 isoforms.
J.Biol.Chem., 278, 2003
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6W37
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