7OC4
 
 | | Alpha-humulene synthase AsR6 from Sarocladium schorii in complex with thiolodiphosphate and a cyclized reaction product. | | 分子名称: | (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene, (R,R)-2,3-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | | 登録日 | 2021-04-26 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3T64
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | 分子名称: | 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | 著者 | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | 登録日 | 2011-07-28 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
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3T6Y
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | 分子名称: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | 著者 | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | 登録日 | 2011-07-29 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
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2QNA
 | | Crystal structure of human Importin-beta (127-876) in complex with the IBB-domain of Snurportin1 (1-65) | | 分子名称: | Importin subunit beta-1, SULFATE ION, Snurportin-1 | | 著者 | Wohlwend, D, Strasser, A, Dickmanns, A, Ficner, R. | | 登録日 | 2007-07-18 | | 公開日 | 2008-04-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Structural basis for RanGTP independent entry of spliceosomal U snRNPs into the nucleus.
J.Mol.Biol., 374, 2007
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6OUN
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5WUW
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8EVG
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5WHR
 | | Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | | 分子名称: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | | 登録日 | 2017-07-18 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
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4AQL
 | | HUMAN GUANINE DEAMINASE IN COMPLEX WITH VALACYCLOVIR | | 分子名称: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate, GUANINE DEAMINASE, ZINC ION | | 著者 | Welin, M, Egeblad, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, Weigelt, J, Nordlund, P. | | 登録日 | 2012-04-18 | | 公開日 | 2012-05-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Pan-Pathway Based Interaction Profiling of Fda-Approved Nucleoside and Nucleobase Analogs with Enzymes of the Human Nucleotide Metabolism.
Plos One, 7, 2012
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6P2G
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and D-ddCTP | | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ... | | 著者 | Bertoletti, N, Anderson, K.S. | | 登録日 | 2019-05-21 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
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3T60
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | 分子名称: | 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | 著者 | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | 登録日 | 2011-07-28 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.396 Å) | | 主引用文献 | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
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7E5T
 | | Crystal structure of Fsa2 | | 分子名称: | Diels-Alderase fsa2, ETHANOL, PENTAETHYLENE GLYCOL, ... | | 著者 | Fujiyama, K, Kato, N, Kinugasa, K, Hino, T, Takahashi, S, Nagano, S. | | 登録日 | 2021-02-20 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.16977525 Å) | | 主引用文献 | Molecular Basis for Two Stereoselective Diels-Alderases that Produce Decalin Skeletons*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7LG9
 | | ChsB1 | | 分子名称: | 3-ketoacyl-ACP reductase | | 著者 | Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S. | | 登録日 | 2021-01-19 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA.
Acs Infect Dis., 7, 2021
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7LGB
 | | ChsB1 in complex with NAD+ | | 分子名称: | 3-ketoacyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S. | | 登録日 | 2021-01-19 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA.
Acs Infect Dis., 7, 2021
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6OR7
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with DNA AND (-)FTC-TP | | 分子名称: | DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ... | | 著者 | Bertoletti, N, Chan, A.H, Anderson, K.S. | | 登録日 | 2019-04-29 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
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5WUL
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5WVA
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9DWI
 | | DNA Polymerase Beta bound to a nucleosome containing a 1-nt gap at SHL-4.5 (State 3, composite) | | 分子名称: | 601 I strand (damaged strand 1), 601 J strand (non-damaged strand), 601 K strand (damaged strand 2), ... | | 著者 | Weaver, T.M, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2024-10-09 | | 公開日 | 2025-01-15 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | DNA Polymerase Beta bound to a nucleosome containing a 1-nt gap at SHL-4.5 (State 4, composite)
To Be Published
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9DWH
 | | DNA Polymerase Beta bound to a nucleosome containing a 1-nt gap at SHL-4.5 (State 2, composite) | | 分子名称: | 601 I strand (damaged strand 1), 601 J strand (non-damaged strand), 601 K strand (damaged strand 2), ... | | 著者 | Weaver, T.M, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2024-10-09 | | 公開日 | 2025-01-15 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | DNA Polymerase Beta bound to a nucleosome containing a 1-nt gap at SHL-4.5 (State 2, composite)
To Be Published
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9DWM
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7KPT
 | | Crystal structure of CtdE in complex with FAD and substrate 4 | | 分子名称: | (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Zhao, B, Hu, L. | | 登録日 | 2020-11-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
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7KPQ
 | | Crystal structure of CtdE in complex with FAD | | 分子名称: | FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Zhao, B, Hu, L. | | 登録日 | 2020-11-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
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6V8O
 | | RSC core | | 分子名称: | Chromatin structure-remodeling complex protein RSC14, Chromatin structure-remodeling complex protein RSC3, Chromatin structure-remodeling complex protein RSC30, ... | | 著者 | Patel, A.B, Moore, C.M, Greber, B.J, Nogales, E. | | 登録日 | 2019-12-11 | | 公開日 | 2020-01-15 | | 最終更新日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | Architecture of the chromatin remodeler RSC and insights into its nucleosome engagement.
Elife, 8, 2019
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2H5D
 | | 0.9A resolution crystal structure of alpha-lytic protease complexed with a transition state analogue, MeOSuc-Ala-Ala-Pro-Val boronic acid | | 分子名称: | ALPHA-LYTIC PROTEASE, GLYCEROL, MEOSUC-ALA-ALA-PRO-ALA BORONIC ACID INHIBITOR, ... | | 著者 | Fuhrmann, C.N, Agard, D.A. | | 登録日 | 2006-05-25 | | 公開日 | 2006-09-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | | 主引用文献 | Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis
J.Am.Chem.Soc., 128, 2006
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7D3Y
 | | Crystal structure of the osPHR2-osSPX2 complex | | 分子名称: | INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1 | | 著者 | Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z. | | 登録日 | 2020-09-21 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
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