6N17
 
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ577 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | 登録日 | 2018-11-08 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.639 Å) | | 主引用文献 | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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6N0R
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ572 | | 分子名称: | 1,2-ETHANEDIOL, 4-(methylamino)benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | 登録日 | 2018-11-07 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.544 Å) | | 主引用文献 | Crystal structure of Tdp1 catalytic domain
To Be Published
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1P9L
 | | Structure of M. tuberculosis dihydrodipicolinate reductase in complex with NADH and 2,6 PDC | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PYRIDINE-2,6-DICARBOXYLIC ACID, TETRAETHYLENE GLYCOL, ... | | 著者 | Cirilli, M, Zheng, R, Scapin, G, Blanchard, J.S, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2003-05-12 | | 公開日 | 2003-08-26 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The three-dimensional structures of the Mycobacterium tuberculosis dihydrodipicolinate reductase-NADH-2,6-PDC and -NADPH-2,6-PDC complexes. Structural and mutagenic analysis of relaxed nucleotide specificity.
Biochemistry, 42, 2003
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4BQN
 | | Structural insights into WcbI, a novel polysaccharide biosynthesis enzyme. Native protein. | | 分子名称: | CAPSULAR POLYSACCHARIDE BIOSYNTHESIS PROTEIN, CHLORIDE ION, COENZYME A, ... | | 著者 | Vivoli, M, Ayres, E, Isupov, M.N, Harmer, N.J. | | 登録日 | 2013-05-31 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Structural Insights Into Wcbi, a Novel Polysaccharide-Biosynthesis Enzyme.
Iucrj, 1, 2014
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4BQO
 | | Structural insights into WcbI, a novel polysaccharide biosynthesis enzyme. Native protein without disulfide bond between COA and Cys14. | | 分子名称: | BROMIDE ION, COENZYME A, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Vivoli, M, Ayres, E, Isupov, M.N, Harmer, N.J. | | 登録日 | 2013-05-31 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Structural Insights Into Wcbi, a Novel Polysaccharide-Biosynthesis Enzyme.
Iucrj, 1, 2014
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4TX3
 | | Complex of the X-domain and OxyB from Teicoplanin Biosynthesis | | 分子名称: | 1,2-ETHANEDIOL, OxyB protein, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Peschke, M, Haslinger, K, Cryle, M.J. | | 登録日 | 2014-07-02 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | X-domain of peptide synthetases recruits oxygenases crucial for glycopeptide biosynthesis.
Nature, 521, 2015
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5SD3
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5SD6
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2JRE
 | | C60-1, a PDZ domain designed using statistical coupling analysis | | 分子名称: | C60-1 PDZ domain peptide | | 著者 | Larson, C, Stiffler, M, Li, P, Rosen, M, MacBeath, G, Ranganathan, R. | | 登録日 | 2007-06-25 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | C60-1, a PDZ domain designed using statistical coupling analysis
To be Published
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2A5P
 | | Monomeric parallel-stranded DNA tetraplex with snap-back 3+1 3' G-tetrad, single-residue chain reversal loops, GAG triad in the context of GAAG diagonal loop, NMR, 8 struct. | | 分子名称: | 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*IP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3' | | 著者 | Phan, A.T, Kuryavyi, V.V, Gaw, H.Y, Patel, D.J. | | 登録日 | 2005-06-30 | | 公開日 | 2005-07-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Small-molecule interaction with a five-guanine-tract G-quadruplex structure from the human MYC promoter.
Nat.Chem.Biol., 1, 2005
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1JQA
 | | Bacillus stearothermophilus glycerol dehydrogenase complex with glycerol | | 分子名称: | GLYCEROL, Glycerol Dehydrogenase, ZINC ION | | 著者 | Ruzheinikov, S.N, Burke, J, Sedelnikova, S, Baker, P.J, Taylor, R, Bullough, P.A, Muir, N.M, Gore, M.G, Rice, D.W. | | 登録日 | 2001-08-04 | | 公開日 | 2001-10-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Glycerol dehydrogenase. structure, specificity, and mechanism of a family III polyol dehydrogenase.
Structure, 9, 2001
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6D3U
 | | Complex structure of Ulvan lyase from Nonlaben Ulvanivorans- NLR48 | | 分子名称: | 1,2-ETHANEDIOL, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-rhamnopyranose, CALCIUM ION, ... | | 著者 | Ulaganathan, T, Cygler, M. | | 登録日 | 2018-04-16 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Structural and functional characterization of PL28 family ulvan lyase NLR48 fromNonlabens ulvanivorans.
J. Biol. Chem., 293, 2018
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6JIB
 | | Human MTHFD2 in complex with DS44960156 | | 分子名称: | 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | 著者 | Suzuki, M, Matsui, Y, Kawai, J. | | 登録日 | 2019-02-20 | | 公開日 | 2019-06-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
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6JS8
 | | Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan | | 分子名称: | (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | 著者 | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | 登録日 | 2019-04-07 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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2YVJ
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5CIH
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5GM9
 | | Crystal structure of a glycoside hydrolase in complex with cellobiose | | 分子名称: | Glycoside hydrolase family 45 protein, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | 登録日 | 2016-07-13 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris
Enzyme Microb. Technol., 99, 2017
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5IED
 | | Murine endoplasmic reticulum alpha-glucosidase II with castanospermine | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | 登録日 | 2016-02-25 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3CL9
 | | Structure of bifunctional TcDHFR-TS in complex with MTX | | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS), ... | | 著者 | Schormann, N, Senkovich, O, Chattopadhyay, D. | | 登録日 | 2008-03-18 | | 公開日 | 2009-01-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
Proteins, 73, 2008
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3SZO
 | | IspH:HMBPP complex after 3 minutes X-ray pre-exposure | | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | 著者 | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | 登録日 | 2011-07-19 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
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5IK8
 | | Laminin A2LG45 I-form, G6/7 bound. | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-hydroxy-4-methyl-2H-chromen-2-one, ... | | 著者 | Briggs, D.C, Hohenester, E, Campbell, K.P. | | 登録日 | 2016-03-03 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis of laminin binding to the LARGE glycans on dystroglycan.
Nat.Chem.Biol., 12, 2016
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6A0R
 | | Homoserine dehydrogenase from Thermus thermophilus HB8 unliganded form | | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FORMIC ACID, GLYCEROL, ... | | 著者 | Akai, S, Ikushiro, H, Sawai, T, Yano, T, Kamiya, N, Miyahara, I. | | 登録日 | 2018-06-06 | | 公開日 | 2018-11-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | The crystal structure of homoserine dehydrogenase complexed with l-homoserine and NADPH in a closed form
J. Biochem., 165, 2019
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4ME3
 | | 1.8 Angstrom Crystal Structure of the N-terminal Domain of an Archaeal MCM | | 分子名称: | DNA replication licensing factor MCM related protein, ZINC ION | | 著者 | Fu, Y, Slaymaker, I.M, Wang, G, Chen, X.S. | | 登録日 | 2013-08-24 | | 公開日 | 2014-01-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | | 主引用文献 | The 1.8- angstrom Crystal Structure of the N-Terminal Domain of an Archaeal MCM as a Right-Handed Filament.
J.Mol.Biol., 426, 2014
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6A0S
 | | Homoserine dehydrogenase from Thermus thermophilus HB8 complexed with HSE and NADPH | | 分子名称: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FORMIC ACID, GLYCEROL, ... | | 著者 | Akai, S, Ikushiro, H, Sawai, T, Yano, T, Kamiya, N, Miyahara, I. | | 登録日 | 2018-06-06 | | 公開日 | 2018-11-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The crystal structure of homoserine dehydrogenase complexed with l-homoserine and NADPH in a closed form
J. Biochem., 165, 2019
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5GUG
 | | Crystal structure of inositol 1,4,5-trisphosphate receptor large cytosolic domain with inositol 1,4,5-trisphosphate | | 分子名称: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | | 著者 | Hamada, K, Miyatake, H, Terauchi, A, Mikoshiba, K. | | 登録日 | 2016-08-29 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (7.399 Å) | | 主引用文献 | IP3-mediated gating mechanism of the IP3 receptor revealed by mutagenesis and X-ray crystallography
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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