5EZZ
 
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine | | 分子名称: | (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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1URR
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5M8U
 | | PCE reductive dehalogenase from S. multivorans in complex with 4-bromophenol | | 分子名称: | 4-BROMOPHENOL, BENZAMIDINE, GLYCEROL, ... | | 著者 | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | 登録日 | 2016-10-30 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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7PVD
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7PUY
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6P44
 | | Crystal Structure of Ketosteroid Isomerase D38N mutant from Mycobacterium hassiacum (mhKSI) bound to 3,4-dinitrophenol | | 分子名称: | 3,4-dinitrophenol, GUANIDINE, SULFATE ION, ... | | 著者 | Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D. | | 登録日 | 2019-05-25 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | | 主引用文献 | Parallel molecular mechanisms for enzyme temperature adaptation.
Science, 371, 2021
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1ULU
 | | Crystal structure of tt0143 from Thermus thermophilus HB8 | | 分子名称: | enoyl-acyl carrier protein reductase | | 著者 | Ago, H, Hamada, K, Ida, K, Kanda, H, Sugahara, M, Yamamoto, M, Nodake, Y, Kuramitsu, S, Yokoyama, S, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2003-09-16 | | 公開日 | 2004-11-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of tt0143 from Thermus thermophilus HB8
To be Published
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5M90
 | | PCE reductive dehalogenase from S. multivorans in complex with 3,4,5-trifluorophenol | | 分子名称: | 3,4,5-tris(fluoranyl)phenol, BENZAMIDINE, GLYCEROL, ... | | 著者 | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | 登録日 | 2016-10-31 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | | 主引用文献 | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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5MA0
 | | PCE reductive dehalogenase from S. multivorans in complex with 2,6-dichlorophenol | | 分子名称: | 2,6-dichlorophenol, GLYCEROL, IRON/SULFUR CLUSTER, ... | | 著者 | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | 登録日 | 2016-11-02 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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1UND
 | | Solution structure of the human advillin C-terminal headpiece subdomain | | 分子名称: | ADVILLIN | | 著者 | Vermeulen, W, Van Troys, M, Vanhaesebrouck, P, Verschueren, M, Fant, F, Ampe, C, Martins, J, Borremans, F. | | 登録日 | 2003-09-09 | | 公開日 | 2004-07-15 | | 最終更新日 | 2011-07-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structures of the C-Terminal Headpiece Subdomains of Human Villin and Advillin, Evaluation of Headpiece F-Actin-Binding Requirements
Protein Sci., 13, 2004
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1ULJ
 | | Biphenyl dioxygenase (BphA1A2) in complex with the substrate | | 分子名称: | BIPHENYL, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Furusawa, Y, Nagarajan, V, Masai, E, Tanokura, M, Fukuda, M, Senda, T. | | 登録日 | 2003-09-12 | | 公開日 | 2004-09-28 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of the Terminal Oxygenase Component of Biphenyl Dioxygenase Derived from Rhodococcus sp. Strain RHA1
J.Mol.Biol., 342, 2004
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5M84
 | | Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpA mRNA 5' cap analog | | 分子名称: | Eukaryotic translation initiation factor 4E, GLYCEROL, [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate | | 著者 | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | | 登録日 | 2016-10-28 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpA mRNA 5' cap analog
To Be Published
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5MA1
 | | PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-trichlorophenol | | 分子名称: | 2,4,6-trichlorophenol, GLYCEROL, IRON/SULFUR CLUSTER, ... | | 著者 | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | 登録日 | 2016-11-02 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | | 主引用文献 | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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7SK4
 | | Cryo-EM structure of ACKR3 in complex with chemokine N-terminal mutant CXCL12_LRHQ, an intracellular Fab, and an extracellular Fab | | 分子名称: | Atypical chemokine receptor 3, CHOLESTEROL, CID24 Fab heavy chain, ... | | 著者 | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | | 登録日 | 2021-10-19 | | 公開日 | 2022-07-27 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
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7SK6
 | | Cryo-EM structure of human ACKR3 in complex with chemokine N-terminal mutant CXCL12_LRHQ and an intracellular Fab | | 分子名称: | Atypical chemokine receptor 3, CID24 Fab heavy chain, CID24 Fab light chain, ... | | 著者 | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | | 登録日 | 2021-10-19 | | 公開日 | 2022-07-27 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | 分子名称: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | 登録日 | 2016-12-08 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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6LU4
 | | Crystal structure of the substrate binding protein from Microbacterium hydrocarbonoxydans complexed with propylparaben | | 分子名称: | Substrate binding protein, propyl 4-hydroxybenzoate | | 著者 | Shimamura, K, Akiyama, T, Yokoyama, K, Takenoya, M, Ito, S, Sasaki, Y, Yajima, S. | | 登録日 | 2020-01-25 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis of substrate recognition by the substrate binding protein (SBP) of a hydrazide transporter, obtained from Microbacterium hydrocarbonoxydans.
Biochem.Biophys.Res.Commun., 525, 2020
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7SK9
 | | Cryo-EM structure of human ACKR3 in complex with a small molecule partial agonist CCX662, and an intracellular Fab | | 分子名称: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Atypical chemokine receptor 3, CHOLESTEROL, ... | | 著者 | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | | 登録日 | 2021-10-19 | | 公開日 | 2022-07-27 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
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7SK3
 | | Cryo-EM structure of ACKR3 in complex with CXCL12, an intracellular Fab, and an extracellular Fab | | 分子名称: | Atypical chemokine receptor 3, CHOLESTEROL, CID24 Fab heavy chain, ... | | 著者 | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | | 登録日 | 2021-10-19 | | 公開日 | 2022-07-27 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
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5C5I
 | | Crystal structure of NADP-dependent dehydrogenase from Rhodobacter sphaeroides | | 分子名称: | NADP-dependent dehydrogenase | | 著者 | Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Cymborowski, M, Al Obaidi, N.F, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2015-06-19 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of NADP-dependent dehydrogenase from Rhodobacter sphaeroides
to be published
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7SK8
 | | Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist CCX662, an extracellular Fab, and an intracellular Fab | | 分子名称: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Atypical chemokine receptor 3, CHOLESTEROL, ... | | 著者 | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | | 登録日 | 2021-10-19 | | 公開日 | 2022-07-27 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
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7SK5
 | | Cryo-EM structure of ACKR3 in complex with CXCL12 and an intracellular Fab | | 分子名称: | Anti-Fab nanobody, Atypical chemokine receptor 3, CHOLESTEROL, ... | | 著者 | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | | 登録日 | 2021-10-19 | | 公開日 | 2022-07-27 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias.
Sci Adv, 8, 2022
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5MDI
 | | Crystal structure of TDP-43 N-terminal domain at 2.1 A resolution | | 分子名称: | ACETATE ION, TAR DNA-binding protein 43 | | 著者 | Afroz, T, Hock, E.-M, Ernst, P, Foglieni, C, Jambeau, M, Gilhespy, L, Laferriere, F, Maniecka, Z, Plueckthun, A, Mittl, P, Paganetti, P, Allain, F.H.T, Polymenidou, M. | | 登録日 | 2016-11-11 | | 公開日 | 2017-07-05 | | 最終更新日 | 2017-07-12 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Functional and dynamic polymerization of the ALS-linked protein TDP-43 antagonizes its pathologic aggregation.
Nat Commun, 8, 2017
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6OZX
 | | Wild type GapR crystal structure 1 from C. crescentus | | 分子名称: | UPF0335 protein CC_3319 | | 著者 | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | | 登録日 | 2019-05-16 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | | 主引用文献 | Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
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7Q5G
 | | LAN-DAP5 DERIVATIVE OF LANREOTIDE: L-DIAMINO PROPIONIC ACID IN POSITION 5 IN PLACE OF L-LYSINE | | 分子名称: | ETHANOL, LAN-DAP5 DERIVATIVE OF LANREOTIDE | | 著者 | Bressanelli, S, Le Du, M.H, Gobeaux, F, Legrand, P, Paternostre, M. | | 登録日 | 2021-11-03 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (0.83 Å) | | 主引用文献 | Atomic structure of Lanreotide nanotubes revealed by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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