5FNU
 
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2015-11-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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5CAA
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6JWX
 | | Crystal structure of Plasmodium falciparum HPPK-DHPS wild type with SDX-DHP | | 分子名称: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ... | | 著者 | Chitnumsub, P, Jaruwat, A, Yuthavong, Y. | | 登録日 | 2019-04-21 | | 公開日 | 2020-02-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
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5FSJ
 | | Structure of thermolysin prepared by the 'soak-and-freeze' method under 45 bar of oxygen pressure | | 分子名称: | CALCIUM ION, LYSINE, OXYGEN MOLECULE, ... | | 著者 | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | | 登録日 | 2016-01-06 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.201 Å) | | 主引用文献 | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology.
J.Appl.Crystallogr., 49, 2016
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5CB9
 | | Crystal structure of C-As lyase with mercaptoethonal | | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | | 著者 | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | | 登録日 | 2015-06-30 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of C-As lyase with mercaptoethonal
To Be Published
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4CR0
 | | Crystal Structure of H5 (VN1194) Asn186Lys/Gly143Arg Mutant Haemagglutinin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | | 著者 | Collins, P.J, Vachieri, S.G, Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Liu, J, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | | 登録日 | 2014-02-21 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Enhanced Human Receptor Binding by H5 Haemagglutinins.
Virology, 456, 2014
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6YZN
 | | Closo-carborane butyl-sulfonamide in complex with CA IX mimic | | 分子名称: | Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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6YZT
 | | Closo-carborane propyl-sulfonamide in complex with CA II | | 分子名称: | Carbonic anhydrase 2, Carborane propyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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5XZB
 | | Mouse cGAS bound to the inhibitor RU365 | | 分子名称: | (3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | | 著者 | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | | 登録日 | 2017-07-12 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
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6Z04
 | | Nido-carborane butyl-sulfonamide in complex with CA IX mimic | | 分子名称: | Carbonic anhydrase 2, Carborane nido-butyl-sulfonamide, ZINC ION | | 著者 | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | 登録日 | 2020-05-07 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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5FT0
 | | Crystal structure of gp37(Dip) from bacteriophage phiKZ | | 分子名称: | ARGININE, GP37, POTASSIUM ION | | 著者 | Van den Bossche, A, Hardwick, S.W, Ceyssens, P.J, Hendrix, H, Voet, M, Dendooven, T, Bandyra, K.J, De Maeyer, M, Aertsen, A, Noben, J.P, Luisi, B.F, Lavigne, R. | | 登録日 | 2016-01-08 | | 公開日 | 2016-08-03 | | 最終更新日 | 2017-03-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural elucidation of a novel mechanism for the bacteriophage-based inhibition of the RNA degradosome.
Elife, 5, 2016
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1S9G
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R120394. | | 分子名称: | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase] | | 著者 | Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E. | | 登録日 | 2004-02-04 | | 公開日 | 2004-05-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
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6Z28
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5FD9
 | | X-ray Crystal Structure of ESCRT-III Snf7 core domain (conformation B) | | 分子名称: | Vacuolar-sorting protein SNF7 | | 著者 | Tang, S, Henne, W.M, Borbat, P.P, Buchkovich, N.J, Freed, J.H, Mao, Y, Fromme, J.C, Emr, S.D. | | 登録日 | 2015-12-15 | | 公開日 | 2015-12-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural basis for activation, assembly and membrane binding of ESCRT-III Snf7 filaments.
Elife, 4, 2015
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6ZFA
 | | Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG, alpha-1,2-mannobiose and hexatungstotellurate(VI) TEW | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, 6-tungstotellurate(VI), ... | | 著者 | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | 登録日 | 2020-06-16 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1FY1
 | | [R23S,F25E]HBP, A MUTANT OF HUMAN HEPARIN BINDING PROTEIN (CAP37) | | 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, ETHANOL, ... | | 著者 | Kastrup, J.S, Linde, V, Pedersen, A.K, Stoffer, B, Iversen, L.F, Larsen, I.K, Rasmussen, P.B, Flodgaard, H.J, Bjorn, S.E. | | 登録日 | 2000-09-28 | | 公開日 | 2001-09-28 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Two mutants of human heparin binding protein (CAP37): toward the understanding of the nature of lipid A/LPS and BPTI binding.
Proteins, 42, 2001
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7BE8
 | | Escherichia coli YtfE (Mn) | | 分子名称: | GLYCEROL, Iron-sulfur cluster repair protein YtfE, MANGANESE (II) ION, ... | | 著者 | Silva, L.S.O, Matias, P.M, Romao, C.V, Saraiva, L.M. | | 登録日 | 2020-12-22 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Repair of Iron Center Proteins-A Different Class of Hemerythrin-like Proteins.
Molecules, 27, 2022
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5FA2
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6Z58
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one, SODIUM ION, ... | | 著者 | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-05-26 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791
To Be Published
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5FNR
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2015-11-16 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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1G2R
 | | Structure of Cytosolic Protein of Unknown Function Coded by Gene from NUSA/INFB Region, a YlxR Homologue | | 分子名称: | HYPOTHETICAL CYTOSOLIC PROTEIN, SULFATE ION | | 著者 | Osipiuk, J, Gornicki, P, Maj, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2000-10-20 | | 公開日 | 2001-08-29 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Streptococcus pneumonia YlxR at 1.35 A shows a putative new fold.
Acta Crystallogr.,Sect.D, 57, 2001
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5FF4
 | | HydE from T. maritima in complex with (2R,4R)-TMeTDA | | 分子名称: | (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | | 著者 | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | 登録日 | 2015-12-17 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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7LZA
 | | Activated form of VanR from S. coelicolor | | 分子名称: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Putative two-component system response regulator | | 著者 | Maciunas, L.J, Loll, P.J. | | 登録日 | 2021-03-09 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Structures of full-length VanR from Streptomyces coelicolor in both the inactive and activated states.
Acta Crystallogr D Struct Biol, 77, 2021
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3JD5
 | | Cryo-EM structure of the small subunit of the mammalian mitochondrial ribosome | | 分子名称: | 28S ribosomal RNA, mitochondial, 28S ribosomal protein S10, ... | | 著者 | Kaushal, P.S, Sharma, M.R, Booth, T.M, Haque, E.M, Tung, C.S, Sanbonmatsu, K.Y, Spremulli, L.L, Agrawal, R.K. | | 登録日 | 2016-04-08 | | 公開日 | 2016-07-13 | | 最終更新日 | 2018-07-18 | | 実験手法 | ELECTRON MICROSCOPY (7 Å) | | 主引用文献 | Cryo-EM structure of the small subunit of the mammalian mitochondrial ribosome.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7LZ9
 | | Inactive form of VanR from S. coelicolor | | 分子名称: | MAGNESIUM ION, Putative two-component system response regulator | | 著者 | Maciunas, L.J, Loll, P.J. | | 登録日 | 2021-03-09 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of full-length VanR from Streptomyces coelicolor in both the inactive and activated states.
Acta Crystallogr D Struct Biol, 77, 2021
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