7FKY
 
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G05 from the F2X-Universal Library | | 分子名称: | 1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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1MZN
 | | CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE | | 分子名称: | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, RXR retinoid X receptor | | 著者 | Egea, P.F, Mitschler, A, Moras, D. | | 登録日 | 2002-10-09 | | 公開日 | 2002-10-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular Recognition of Agonist Ligands by RXRs
MOL.ENDOCRINOL., 16, 2002
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1IPB
 | | CRYSTAL STRUCTURE OF EUKARYOTIC INITIATION FACTOR 4E COMPLEXED WITH 7-METHYL GPPPA | | 分子名称: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE | | 著者 | Tomoo, K, Shen, X, Okabe, K, Nozoe, Y, Fukuhara, S, Morino, S, Ishida, T, Taniguchi, T, Hasegawa, H, Terashima, A, Sasaki, M, Katsuya, Y, Kitamura, K, Miyoshi, H, Ishikawa, M, Miura, K. | | 登録日 | 2001-05-08 | | 公開日 | 2002-05-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of 7-methylguanosine 5'-triphosphate (m(7)GTP)- and
P(1)-7-methylguanosine-P(3)-adenosine-5',5'-triphosphate (m(7)GpppA)-bound human full-length eukaryotic
initiation factor 4E: biological importance of the C-terminal flexible region
BIOCHEM.J., 362, 2002
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7Z51
 | | Tick-borne encephalitis virus Kuutsalo-14 | | 分子名称: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | | 著者 | Pulkkinen, L.I.A, Barrass, S.V, Anastasina, M, Butcher, S.J. | | 登録日 | 2022-03-07 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular Organisation of Tick-Borne Encephalitis Virus.
Viruses, 14, 2022
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3K5J
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1MR8
 | | MIGRATION INHIBITORY FACTOR-RELATED PROTEIN 8 FROM HUMAN | | 分子名称: | CALCIUM ION, MIGRATION INHIBITORY FACTOR-RELATED PROTEIN 8 | | 著者 | Ishikawa, K, Nakagawa, A, Tanaka, I, Nishihira, J. | | 登録日 | 1999-04-13 | | 公開日 | 2000-05-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The structure of human MRP8, a member of the S100 calcium-binding protein family, by MAD phasing at 1.9 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
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2GUH
 | | Crystal Structure of the Putative TetR-family Transcriptional Regulator from Rhodococcus sp. RHA1 | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Putative TetR-family transcriptional regulator | | 著者 | Kim, Y, Joachimiak, A, Skarina, T, Zheng, H, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2006-04-30 | | 公開日 | 2006-05-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Crystal Structure of the Putative TetR-family Transcriptional Regulator from Rhodococcus sp. RHA1
To be Published
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7FKX
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P04G02 from the F2X-Universal Library | | 分子名称: | 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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3K6M
 | | Dynamic domains of Succinyl-CoA:3-ketoacid-coenzyme A transferase from pig heart. | | 分子名称: | CHLORIDE ION, GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase 1, ... | | 著者 | Coker, S, Lloyd, A, Mitchell, E, Lewis, G.R, Shoolingin-Jordan, P, Coker, A.R. | | 登録日 | 2009-10-09 | | 公開日 | 2010-07-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The high-resolution structure of pig heart succinyl-CoA:3-oxoacid coenzyme A transferase.
Acta Crystallogr.,Sect.D, 66, 2010
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2PIP
 | | Androgen receptor LBD with small molecule | | 分子名称: | 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE, 1H-INDOLE-3-CARBOXYLIC ACID, 5-ALPHA-DIHYDROTESTOSTERONE, ... | | 著者 | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R. | | 登録日 | 2007-04-13 | | 公開日 | 2007-09-25 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3GS9
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2Z83
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5AR3
 | | RIP2 Kinase Catalytic Domain (1 - 310) complex with AMP-PCP | | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | | 著者 | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | | 登録日 | 2015-09-23 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
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5LF0
 | | Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom | | 分子名称: | CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ... | | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | 登録日 | 2016-06-30 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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1R4K
 | | Solution Structure of the Drosophila Argonaute 1 PAZ Domain | | 分子名称: | Argonaute 1 | | 著者 | Yan, K.S, Yan, S, Farooq, A, Han, A, Zeng, L, Zhou, M.-M. | | 登録日 | 2003-10-07 | | 公開日 | 2003-12-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and conserved RNA binding of the PAZ domain
Nature, 426, 2003
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4HDR
 | | Crystal Structure of ArsAB in Complex with 5,6-dimethylbenzimidazole | | 分子名称: | 1,2-ETHANEDIOL, 5,6-DIMETHYLBENZIMIDAZOLE, ArsA, ... | | 著者 | Newmister, S.A, Chan, C.H, Escalante-Semerena, J.C, Rayment, I. | | 登録日 | 2012-10-02 | | 公開日 | 2012-10-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural Insights into the Function of the Nicotinate Mononucleotide:phenol/p-cresol Phosphoribosyltransferase (ArsAB) Enzyme from Sporomusa ovata.
Biochemistry, 51, 2012
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5AQZ
 | | HSP72 with adenosine-derived inhibitor | | 分子名称: | 1,2-ETHANEDIOL, HEAT SHOCK 70 KDA PROTEIN 1A, SANGIVAMYCIN | | 著者 | Cheeseman, M.D, Westwood, I.M, Barbeau, O, Rowlands, M.G, Jones, A.M, Jeganathan, F, Burke, R, Dobson, S.E, Workman, P, Collins, I, van Montfort, R.L.M, Jones, K. | | 登録日 | 2015-09-22 | | 公開日 | 2016-05-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70.
J.Med.Chem., 59, 2016
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6J8I
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 up) | | 分子名称: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Shen, H, Liu, D, Lei, J, Yan, N. | | 登録日 | 2019-01-19 | | 公開日 | 2019-02-27 | | 最終更新日 | 2025-06-25 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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2AUZ
 | | Cathepsin K complexed with a semicarbazone inhibitor | | 分子名称: | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K, SULFATE ION | | 著者 | Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M. | | 登録日 | 2005-08-29 | | 公開日 | 2006-08-08 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
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3QHT
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4BFT
 | | Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1b) and phosphate | | 分子名称: | 2-chloro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide, PANTOTHENATE KINASE, PHOSPHATE ION | | 著者 | Bjorkelid, C, Bergfors, T, Jones, T.A. | | 登録日 | 2013-03-22 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank
J.Biol.Chem., 288, 2013
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4JRM
 | | Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Vibrio Cholerae (space group P212121) at 1.75 Angstrom | | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, ACETATE ION, GLYCEROL | | 著者 | Hou, J, Chruszcz, M, Shabalin, I.G, Zheng, H, Cooper, D.R, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2013-03-21 | | 公開日 | 2013-04-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Vibrio cholerae (space group P43) at 2.2 Angstrom
To be Published
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2VFM
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666) | | 分子名称: | BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, GLYCEROL, ... | | 著者 | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | 登録日 | 2007-11-05 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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4BHW
 | | Structural basis for autoinhibition of the acetyltransferase activity of p300 | | 分子名称: | HISTONE ACETYLTRANSFERASE P300, ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate | | 著者 | Delvecchio, M, Gaucher, J, Aguilar-Gurrieri, C, Ortega, E, Panne, D. | | 登録日 | 2013-04-08 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | | 主引用文献 | Structure of the P300 Catalytic Core and Implications for Chromatin Targeting and Hat Regulation
Nat.Struct.Mol.Biol., 20, 2013
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4JTY
 | | Crystal structure of HCV NS5B polymerase with COMPOUND 2 | | 分子名称: | 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide, GLYCEROL, Genome polyprotein, ... | | 著者 | Coulombe, R. | | 登録日 | 2013-03-24 | | 公開日 | 2013-07-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency.
J.Med.Chem., 57, 2014
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