6S5M
 
 | | Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-n-propyl-2,3,4,9-tetrahydro-1H-beta-carboline | | 分子名称: | (1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | | 著者 | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | | 登録日 | 2019-07-02 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions.
J.Am.Chem.Soc., 142, 2020
|
|
9UVI
 | |
6DUB
 | | Crystal structure of a methyltransferase | | 分子名称: | Alpha N-terminal protein methyltransferase 1B, GLYCEROL, RCC1, ... | | 著者 | Dong, C, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-06-20 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.
Commun Biol, 1, 2018
|
|
6I4R
 | | Crystal structure of the disease-causing R460G mutant of the human dihydrolipoamide dehydrogenase at 1.44 Angstrom resolution | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | | 著者 | Szabo, E, Wilk, P, Bui, D, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | | 登録日 | 2018-11-10 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.439 Å) | | 主引用文献 | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
|
|
6RP1
 | | 1.49 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 6.5 | | 分子名称: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | | 著者 | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | | 登録日 | 2019-05-13 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
|
|
9FZ6
 | | A 2.58A crystal structure of S. aureus DNA gyrase and DNA with metals identified through anomalous scattering | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3'), DNA (5'-D(*AP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | 著者 | Morgan, H, Duman, R, Bax, B.D, Warren, A.J. | | 登録日 | 2024-07-04 | | 公開日 | 2024-10-23 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | How Do Gepotidacin and Zoliflodacin Stabilize DNA Cleavage Complexes with Bacterial Type IIA Topoisomerases? 1. Experimental Definition of Metal Binding Sites.
Int J Mol Sci, 25, 2024
|
|
6G71
 | | Structure of CYP1232A24 from Arthrobacter sp. | | 分子名称: | 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ... | | 著者 | Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G. | | 登録日 | 2018-04-04 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine.
J.Biochem., 166, 2019
|
|
6R7D
 | | Crystal structure of LTC4S in complex with AZ13690257 | | 分子名称: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ... | | 著者 | Kack, H, Ek, M. | | 登録日 | 2019-03-28 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
|
|
6T8Z
 | | NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A ternary complex with the oxidised form of the cofactor NAD+ and the substrate formate both at a primary and secondary sites. | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | 著者 | Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A. | | 登録日 | 2019-10-25 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
|
|
9JC7
 | |
4UAV
 | | Crystal structure of CbbY (AT3G48420) from Arabidobsis thaliana | | 分子名称: | Haloacid dehalogenase-like hydrolase domain-containing protein At3g48420, MAGNESIUM ION | | 著者 | Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M. | | 登録日 | 2014-08-11 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
|
|
5G2O
 | | Yersinia pestis FabV variant T276A | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | 登録日 | 2016-04-11 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
|
|
1O0S
 | | Crystal Structure of Ascaris suum Malic Enzyme Complexed with NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NAD-dependent malic enzyme, TARTRONATE | | 著者 | Rao, G.S, Coleman, D.E, Karsten, W.E, Cook, P.F, Harris, B.G. | | 登録日 | 2003-02-24 | | 公開日 | 2003-07-22 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystallographic studies on Ascaris suum NAD-malic enzyme bound to reduced cofactor and identification of an effector site.
J.Biol.Chem., 278, 2003
|
|
1O02
 | | Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of Mg2+ | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Aldehyde dehydrogenase, ... | | 著者 | Perez-Miller, S.J, Hurley, T.D. | | 登録日 | 2003-02-20 | | 公開日 | 2003-06-24 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Coenzyme isomerization is integral to catalysis in aldehyde dehydrogenase
Biochemistry, 42, 2003
|
|
5ZJP
 | |
5ZPW
 | |
5IWI
 | | 1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA | | 分子名称: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), ... | | 著者 | Bax, B.D, Miles, T.J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
4QJZ
 | | Pneumocystis carinii dihydrofolate reductase ternary complex with NADPH and the inhibitor 24, (N~6~-METHYL-N~6~-(NAPHTHALEN-1-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE) | | 分子名称: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~6~-methyl-N~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine | | 著者 | Cody, V. | | 登録日 | 2014-06-05 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr F Struct Biol Commun, 71, 2015
|
|
4YU8
 | | Crystal structure of Neuroblastoma suppressor of tumorigenicity 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Neuroblastoma suppressor of tumorigenicity 1 | | 著者 | Ren, J, Nettleship, J.E, Stammers, D.K, Owens, R.J, Oxford Protein Production Facility (OPPF) | | 登録日 | 2015-03-18 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Neuroblastoma suppressor of tumorigenicity 1
To Be Published
|
|
9DRS
 | | Crystal structure of M. tuberculosis PheRS-tRNA complex bound to inhibitor D-116 | | 分子名称: | 1,2-ETHANEDIOL, 1H-benzimidazol-2-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Gade, P, Chang, C, Forte, B, Wower, J, Gilbert, I.H, Baragana, B, Michalska, K, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2024-09-26 | | 公開日 | 2025-02-12 | | 最終更新日 | 2025-02-19 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Different chemical scaffolds bind to L-phe site in Mycobacterium tuberculosis Phe-tRNA synthetase.
Eur.J.Med.Chem., 287, 2025
|
|
6T8Y
 | | NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex with the reduced form of the cofactor NADH and the substrate formate at a secondary site. | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A. | | 登録日 | 2019-10-25 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
|
|
6QE8
 | | Crystal structure of Aspergillus niger GH11 endoxylanase XynA in complex with xylobiose epoxide activity based probe | | 分子名称: | (1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase A, ... | | 著者 | Wu, L, Rowland, R.J, Davies, G.J. | | 登録日 | 2019-01-07 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Acs Cent.Sci., 5, 2019
|
|
9DQI
 | | D306N Mutant of M.tuberculosis MenD (SEPHCHC Synthase) | | 分子名称: | 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | | 著者 | Johnston, J.M, Ho, N.A.T, Given, F.M, Bulloch, E.M.M, Allison, T.M, Jiao, W. | | 登録日 | 2024-09-24 | | 公開日 | 2025-04-16 | | 最終更新日 | 2025-04-30 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Apparent Reversal of Allosteric Response in Mycobacterium tuberculosis MenD Reveals Links to Half-of-Sites Reactivity.
Chembiochem, 26, 2025
|
|
4QX4
 | | Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A | | 分子名称: | (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Rechlin, C, Heine, A, Klebe, G. | | 登録日 | 2014-07-18 | | 公開日 | 2015-04-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.259 Å) | | 主引用文献 | Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.
J.Med.Chem., 58, 2015
|
|
5C7E
 | | Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal domain (1-209) in complex with Arabidopsis IAA10 peptide | | 分子名称: | ASPR2 protein, Auxin-responsive protein IAA10, ZINC ION | | 著者 | Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K. | | 登録日 | 2015-06-24 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
|
|
