4HZ0
 
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | | 分子名称: | 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, DNA topoisomerase 4 subunit B, MAGNESIUM ION | | 著者 | Bensen, D.C, Trzoss, M, Tari, L.W. | | 登録日 | 2012-11-14 | | 公開日 | 2013-02-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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8BWO
 | | Cryo-EM structure of nanodisc-reconstituted human MRP4 with E1202Q mutation (outward-facing occluded conformation) | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 4, MAGNESIUM ION | | 著者 | Raj, I, Bloch, M, Pape, T.H, Taylor, N.M.I. | | 登録日 | 2022-12-07 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural and mechanistic basis of substrate transport by the multidrug transporter MRP4.
Structure, 31, 2023
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5MHP
 | | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | | 分子名称: | 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L. | | 登録日 | 2016-11-25 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.
J. Med. Chem., 60, 2017
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8C9F
 | | Priestia megaterium inactive HIGH motif mutant of type1 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue. | | 分子名称: | CHLORIDE ION, Isoleucine--tRNA ligase, LITHIUM ION, ... | | 著者 | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I. | | 登録日 | 2023-01-21 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
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4M0U
 | | crystal structure of human PRS1 Q133P mutant | | 分子名称: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | 著者 | Chen, P, Teng, M, Li, X. | | 登録日 | 2013-08-02 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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8C9D
 | | Priestia megaterium W130Q mutant of type 2 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue | | 分子名称: | D(-)-TARTARIC ACID, Isoleucine--tRNA ligase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ... | | 著者 | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I. | | 登録日 | 2023-01-21 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
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3W9Z
 | | Crystal structure of DusC | | 分子名称: | FLAVIN MONONUCLEOTIDE, tRNA-dihydrouridine synthase C | | 著者 | Chen, M, Yu, J, Tanaka, Y, Tanaka, I, Yao, M. | | 登録日 | 2013-04-19 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of dihydrouridine synthase C (DusC) from Escherichia coli
Acta Crystallogr.,Sect.F, 69, 2013
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5U5Z
 | | CcP gateless cavity | | 分子名称: | 4-methyl-2-phenyl-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | 著者 | Fischer, M, Shoichet, B.K. | | 登録日 | 2016-12-07 | | 公開日 | 2017-02-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8C8V
 | | Priestia megaterium mupirocin-resistant isoleucyl-tRNA synthetase 2 with a fully-resolved C-terminal tRNA-binding domain complexed with an isoleucyl-adenylate analogue | | 分子名称: | D(-)-TARTARIC ACID, Isoleucine--tRNA ligase, N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE, ... | | 著者 | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I. | | 登録日 | 2023-01-21 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
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8BWQ
 | | Cryo-EM structure of nanodisc-reconstituted wildtype human MRP4 (in complex with topotecan) | | 分子名称: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ATP-binding cassette sub-family C member 4 | | 著者 | Raj, I, Bloch, M, Pape, T.H, Taylor, N.M.I. | | 登録日 | 2022-12-07 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structural and mechanistic basis of substrate transport by the multidrug transporter MRP4.
Structure, 31, 2023
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1QUV
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1Z3F
 | | Structure of ellipticine in complex with a 6-bp DNA | | 分子名称: | 5'-D(*CP*GP*AP*TP*CP*G)-3', COBALT (II) ION, ELLIPTICINE | | 著者 | Canals, A, Purciolas, M, Aymami, J, Coll, M. | | 登録日 | 2005-03-12 | | 公開日 | 2005-07-19 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The anticancer agent ellipticine unwinds DNA by intercalative binding in an orientation parallel to base pairs.
Acta Crystallogr.,Sect.D, 61, 2005
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6ZP7
 | | SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up open conformation) | | 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, DIMETHYL SULFOXIDE, ... | | 著者 | Martinez, M, Marabini, R, Carazo, J.M. | | 登録日 | 2020-07-08 | | 公開日 | 2020-07-29 | | 最終更新日 | 2022-12-21 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
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3WU0
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8BWP
 | | Cryo-EM structure of nanodisc-reconstituted wildtype human MRP4 (in complex with methotrexate) | | 分子名称: | ATP-binding cassette sub-family C member 4, METHOTREXATE | | 著者 | Raj, I, Bloch, M, Pape, T.H, Taylor, N.M.I. | | 登録日 | 2022-12-07 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural and mechanistic basis of substrate transport by the multidrug transporter MRP4.
Structure, 31, 2023
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7PQ9
 | | Crystal structure of Bacillus clausii pdxR at 2.8 Angstroms resolution | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Vivoli Vega, M, Isupov, M.N, Harmer, N. | | 登録日 | 2021-09-16 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
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1G6R
 | | A FUNCTIONAL HOT SPOT FOR ANTIGEN RECOGNITION IN A SUPERAGONIST TCR/MHC COMPLEX | | 分子名称: | ALPHA T CELL RECEPTOR, BETA T CELL RECEPTOR, BETA-2 MICROGLOBULIN, ... | | 著者 | Degano, M, Garcia, K.C, Apostolopoulos, V, Rudolph, M.G, Teyton, L, Wilson, I.A. | | 登録日 | 2000-11-07 | | 公開日 | 2000-11-15 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A functional hot spot for antigen recognition in a superagonist TCR/MHC complex.
Immunity, 12, 2000
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1ZO9
 | | Crystal Structure Of The Wild Type Heme Domain Of P450BM-3 with N-palmitoylmethionine | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | | 著者 | Hegda, A, Chen, B, Tomchick, D.R, Bondlela, M, Haines, D.C, Schaffer, N, Machius, M, Graham, S.E, Peterson, J.A. | | 登録日 | 2005-05-12 | | 公開日 | 2006-08-01 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Interactions of substrates at the surface of P450s can greatly enhance substrate potency.
Biochemistry, 46, 2007
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1ZP5
 | | Crystal structure of the complex between MMP-8 and a N-hydroxyurea inhibitor | | 分子名称: | CALCIUM ION, N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA, Neutrophil collagenase, ... | | 著者 | Campestre, C, Agamennone, M, Tortorella, P, Preziuso, S, Biasone, A, Gavuzzo, E, Pochetti, G, Mazza, F, Tschesche, H, Gallina, C. | | 登録日 | 2005-05-16 | | 公開日 | 2005-12-06 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: Mode of binding in a complex with MMP-8.
Bioorg.Med.Chem.Lett., 16, 2006
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6TV0
 | | Serratia spp. cyanase hydratase | | 分子名称: | Cyanate hydratase, GLYCEROL, OXALIC ACID | | 著者 | Pederzoli, R, Tarantino, D, Gourlay, L.J, Chaves-Sanjuan, A, Bolognesi, M. | | 登録日 | 2020-01-08 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Detecting the nature and solving the crystal structure of a contaminant protein from an opportunistic pathogen.
Acta Crystallogr.,Sect.F, 76, 2020
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8BWR
 | | Cryo-EM structure of nanodisc-reconstituted wildtype human MRP4 (in complex with prostaglandin E2) | | 分子名称: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, ATP-binding cassette sub-family C member 4 | | 著者 | Raj, I, Bloch, M, Pape, T.H, Taylor, N.M.I. | | 登録日 | 2022-12-07 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural and mechanistic basis of substrate transport by the multidrug transporter MRP4.
Structure, 31, 2023
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8C9E
 | | Priestia megaterium mupirocin-sensitive isoleucyl-tRNA synthetase 1 complexed with an isoleucyl-adenylate analogue | | 分子名称: | CHLORIDE ION, Isoleucine--tRNA ligase, LITHIUM ION, ... | | 著者 | Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I. | | 登録日 | 2023-01-21 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
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4I0S
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8CDR
 | | Translocation intermediate 2 (TI-2) of 80S S. cerevisiae ribosome with ligands and eEF2 in the presence of sordarin | | 分子名称: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | 著者 | Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G. | | 登録日 | 2023-01-31 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.04 Å) | | 主引用文献 | mRNA reading frame maintenance during eukaryotic ribosome translocation.
Nature, 625, 2024
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8CF5
 | | Translocation intermediate 1 (TI-1) of 80S S. cerevisiae ribosome with ligands and eEF2 in the presence of sordarin | | 分子名称: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | 著者 | Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G. | | 登録日 | 2023-02-02 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | | 主引用文献 | mRNA reading frame maintenance during eukaryotic ribosome translocation.
Nature, 625, 2024
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