7MES
 
 | | Structure of ALDH4A1 complexed with trans-4-Hydroxy-D-proline | | 分子名称: | (4S)-4-hydroxy-D-proline, DI(HYDROXYETHYL)ETHER, Delta-1-pyrroline-5-carboxylate dehydrogenase, ... | | 著者 | Bogner, A.N, Stiers, K.M, Tanner, J.J. | | 登録日 | 2021-04-07 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Structural basis for the stereospecific inhibition of the dual proline/hydroxyproline catabolic enzyme ALDH4A1 by trans-4-hydroxy-L-proline.
Protein Sci., 30, 2021
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7AA2
 | | Chaetomium thermophilum FAD-dependent oxidoreductase in complex with ABTS | | 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, 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM, ... | | 著者 | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | | 登録日 | 2020-09-03 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
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6ZW8
 | | Isopenicillin N synthase in complex with Cd and ACV. | | 分子名称: | CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ... | | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | 登録日 | 2020-07-27 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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7T2X
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide | | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate | | 著者 | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Wilson, T.M, Fanning, S.W. | | 登録日 | 2021-12-06 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core.
Acs Med.Chem.Lett., 13, 2022
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6XFI
 | | Crystal Structures of beta-1,4-N-Acetylglucosaminyltransferase 2 (POMGNT2): Structural Basis for Inherited Muscular Dystrophies | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ... | | 著者 | Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N. | | 登録日 | 2020-06-15 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies.
Acta Crystallogr D Struct Biol, 77, 2021
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6XI2
 | | Apo form of POMGNT2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, ALA-GLY-ALA-GLY-ALA-ALA-ALA-ALA-ALA-ALA, ... | | 著者 | Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N. | | 登録日 | 2020-06-19 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies.
Acta Crystallogr D Struct Biol, 77, 2021
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8SG0
 | | Crystal Structure of GDP-manose 3,5 epimerase de Myrciaria dubia in complex with substrate, product and NAD | | 分子名称: | GDP-mannose 3,5-epimerase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE, ... | | 著者 | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | | 登録日 | 2023-04-11 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
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3EHB
 | | A D-Pathway Mutation Decouples the Paracoccus Denitrificans Cytochrome c Oxidase by Altering the side chain orientation of a distant, conserved Glutamate | | 分子名称: | CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1-beta, ... | | 著者 | Koepke, J, Mueller, H, Peng, G. | | 登録日 | 2008-09-12 | | 公開日 | 2008-09-30 | | 最終更新日 | 2025-04-30 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | A d-pathway mutation decouples the paracoccusdenitrificans cytochrome C oxidase by altering the side-chain orientation of a distant conserved glutamate.
J.Mol.Biol., 384, 2008
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6FV4
 | | The structure of N-acetyl-D-glucosamine-6-phosphate deacetylase D267A mutant from Mycobacterium smegmatis in complex with N-acetyl-D-glucosamine-6-phosphate | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, CADMIUM ION, ... | | 著者 | Ahangar, M.S, Furze, C.M, Guy, C.S, Cooper, C, Maskew, K.S, Graham, B, Cameron, A.D, Fullam, E. | | 登録日 | 2018-03-01 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.974 Å) | | 主引用文献 | Structural and functional determination of homologs of theMycobacterium tuberculosis N-acetylglucosamine-6-phosphate deacetylase (NagA).
J. Biol. Chem., 293, 2018
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3EKU
 | | Crystal Structure of Monomeric Actin bound to Cytochalasin D | | 分子名称: | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, ... | | 著者 | Nair, U.B, Joel, P.B, Wan, Q, Lowey, S, Rould, M.A, Trybus, K.M. | | 登録日 | 2008-09-19 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structures of monomeric actin bound to cytochalasin D.
J.Mol.Biol., 384, 2008
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4Y6S
 | | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2015-02-13 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
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8KE2
 | | PylRS C-terminus domain mutant bound with L-3-trifluoromethylphenylalanine and AMPNP | | 分子名称: | (2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Weng, J.H, Tsai, M.D, Wang, Y.S. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.19639969 Å) | | 主引用文献 | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
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8KE6
 | | PylRS C-terminus domain mutant bound with L-3-chlorophenylalanine and AMPNP | | 分子名称: | 3-CHLORO-L-PHENYLALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Weng, J.H, Tsai, M.D, Wang, Y.S. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.89570856 Å) | | 主引用文献 | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
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8KE1
 | | PylRS C-terminus domain mutant bound with L-3-bromophenylalanine and AMPNP | | 分子名称: | 3-bromo-L-phenylalanine, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Weng, J.H, Tsai, M.D, Wang, Y.S. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.50081539 Å) | | 主引用文献 | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
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6VAW
 | | Peanut lectin complexed with N-beta-D-galactopyranosyl-L-succinamoyl derivative (NGS) | | 分子名称: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | | 著者 | Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | | 登録日 | 2019-12-18 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
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4NP9
 | | Structure of Rabphilin C2A domain bound to IP3 | | 分子名称: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rabphilin-3A, SULFATE ION | | 著者 | Guillen, J, Ferrer-Orta, C, Buxaderas, M, Perez-Sanchez, D, Guerrero-Valero, M, Luengo-Gil, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Verdaguer, N, Corbalan-Garcia, S. | | 登録日 | 2013-11-21 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6VAV
 | | Peanut lectin complexed with divalent N-beta-D-galactopyranosyl-L-succinamoyl derivative (diNGS) | | 分子名称: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | | 著者 | Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | | 登録日 | 2019-12-18 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
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5LR3
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6OJS
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid | | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | | 著者 | Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M. | | 登録日 | 2019-04-12 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.214 Å) | | 主引用文献 | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
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8D5R
 | | Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-ornithine | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ACETATE ION, ... | | 著者 | Phillips, R.S, Nguyen Hoang, K.N. | | 登録日 | 2022-06-06 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
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3ESJ
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, GERANYL DIPHOSPHATE, ... | | 著者 | Hunter, W.N, Ramsden, N.L. | | 登録日 | 2008-10-06 | | 公開日 | 2009-08-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
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5LQO
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4Y67
 | | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2015-02-12 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
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4Y6P
 | | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ... | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2015-02-13 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
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3FMS
 | | Crystal structure of TM0439, a GntR transcriptional regulator | | 分子名称: | ACETATE ION, NICKEL (II) ION, Transcriptional regulator, ... | | 著者 | Zheng, M, Cooper, D.R, Yu, M, Hung, L.-W, Derewenda, U, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI) | | 登録日 | 2008-12-22 | | 公開日 | 2009-02-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of Thermotoga maritima TM0439: implications for the mechanism of bacterial GntR transcription regulators with Zn2+-binding FCD domains.
Acta Crystallogr.,Sect.D, 65, 2009
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