4B00
 
 | | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41) | | 分子名称: | 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1 | | 著者 | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | | 登録日 | 2012-06-27 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
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3EUX
 | | Crystal Structure of Crosslinked Ribonuclease A | | 分子名称: | Ribonuclease pancreatic | | 著者 | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | 登録日 | 2008-10-12 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
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3EV4
 | | Crystal Structure of Ribonuclease A in 50% Trifluoroethanol | | 分子名称: | Ribonuclease pancreatic, TRIFLUOROETHANOL | | 著者 | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | 登録日 | 2008-10-12 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
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4KJT
 | | Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH OXYGEN | | 分子名称: | 1,2-ETHANEDIOL, Dehaloperoxidase A, OXYGEN MOLECULE, ... | | 著者 | Wang, C, Lovelace, L, Lebioda, L. | | 登録日 | 2013-05-03 | | 公開日 | 2014-03-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Influence of heme environment structure on dioxygen affinity for the dual function Amphitrite ornata hemoglobin/dehaloperoxidase. Insights into the evolutional structure-function adaptations.
Arch.Biochem.Biophys., 545, 2014
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4AZM
 | | Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413 | | 分子名称: | ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ... | | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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4EGL
 | | Crystal structure of two tandem RNA recognition motifs of Human antigen R | | 分子名称: | ELAV-like protein 1, GLYCEROL, SULFATE ION | | 著者 | Wang, H, Zeng, F, Liu, H, Teng, M, Li, X. | | 登録日 | 2012-03-31 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of two tandem RNA recognition motifs of Human antigen R
To be Published
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4EXG
 | | Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | | 分子名称: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | | 著者 | Borkakoti, N, Lindberg, J, Derbyshire, D. | | 登録日 | 2012-04-30 | | 公開日 | 2012-10-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.
Bioorg.Med.Chem.Lett., 22, 2012
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4KP0
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4E43
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4KPA
 | | Crystal structure of cytochrome P450 BM-3 in complex with N-palmitoylglycine (NPG) | | 分子名称: | Cytochrome P450 BM-3, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Amadeo, G.A, Catalano, J, McDermott, A.E, Tong, L. | | 登録日 | 2013-05-13 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3.
Biochemistry, 52, 2013
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4EJK
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3EUZ
 | | Crystal Structure of Ribonuclease A in 50% Dimethylformamide | | 分子名称: | DIMETHYLFORMAMIDE, Ribonuclease pancreatic | | 著者 | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | 登録日 | 2008-10-12 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
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4KTS
 | | Bovine trypsin in complex with microviridin J at pH 8.5 | | 分子名称: | CALCIUM ION, Cationic trypsin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Quitterer, F, Groll, M, Hertweck, C, Dittmann, E. | | 登録日 | 2013-05-21 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Harnessing the evolvability of tricyclic microviridins to dissect protease-inhibitor interactions.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4KDS
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4EDE
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3EUL
 | | Structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis | | 分子名称: | CHLORIDE ION, POSSIBLE NITRATE/NITRITE RESPONSE TRANSCRIPTIONAL REGULATORY PROTEIN NARL (DNA-binding response regulator, LuxR family) | | 著者 | Schneider, G, Schnell, R, Agren, D. | | 登録日 | 2008-10-10 | | 公開日 | 2008-11-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 1.9 A structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 64, 2008
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4KII
 | | Beta-lactoglobulin in complex with Cp*Rh(III)Cl N,N-di(pyridin-2-yl)dodecanamide | | 分子名称: | Beta-lactoglobulin, [N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium | | 著者 | Cherrier, M.V, Amara, P, Engilberge, S, Fontecilla-Camps, J.C. | | 登録日 | 2013-05-02 | | 公開日 | 2013-09-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural Basis for Enantioselectivity in the Transfer Hydrogenation of a Ketone Catalyzed by an Artificial Metalloenzyme
Eur.J.Inorg.Chem., 21, 2013
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3ZPS
 | | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | 著者 | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | | 登録日 | 2013-03-01 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors.
J.Med.Chem., 56, 2013
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3EV1
 | | Crystal Structure of Ribonuclease A in 70% Hexanediol | | 分子名称: | HEXANE-1,6-DIOL, Ribonuclease pancreatic | | 著者 | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | | 登録日 | 2008-10-12 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
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4EEJ
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3ZPU
 | | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | 著者 | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | | 登録日 | 2013-03-01 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
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4L1A
 | | Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance | | 分子名称: | MDR769 HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE | | 著者 | Liu, Z, Yedidi, R.S, Wang, Y, Dewdney, T, Reiter, S, Brunzelle, J, Kovari, I, Kovari, L. | | 登録日 | 2013-06-03 | | 公開日 | 2014-04-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystallographic study of multi-drug resistant HIV-1 protease lopinavir complex: mechanism of drug recognition and resistance.
Biochem.Biophys.Res.Commun., 437, 2013
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4KV5
 | | scFv GC1009 in complex with TGF-beta1. | | 分子名称: | Single-chain variable fragment GC1009, Transforming growth factor beta-1 proprotein | | 著者 | Wei, R, Moulin, A.G, Mathieu, M. | | 登録日 | 2013-05-22 | | 公開日 | 2014-09-24 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structures of a pan-specific antagonist antibody complexed to different isoforms of TGF beta reveal structural plasticity of antibody-antigen interactions.
Protein Sci., 23, 2014
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3ZMG
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND | | 分子名称: | BETA-SECRETASE 1, DIMETHYL SULFOXIDE, N-[3-[(4R)-2-azanylidene-5,5-bis(fluoranyl)-4-methyl-1,3-oxazinan-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, ... | | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M. | | 登録日 | 2013-02-08 | | 公開日 | 2013-05-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Beta-Secretase (Bace1) Inhibitors with High in Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer'S Disease.
J.Med.Chem., 56, 2013
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4GEZ
 | | Structure of a neuraminidase-like protein from A/bat/Guatemala/164/2009 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Yang, H, Carney, P.J, Donis, R.O, Stevens, J. | | 登録日 | 2012-08-02 | | 公開日 | 2012-09-26 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
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