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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4N4S
 | | A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor | | 分子名称: | 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Mitogen-activated protein kinase 1 | | 著者 | Hari, S.B, Maly, D.J, Merritt, E.A. | | 登録日 | 2013-10-08 | | 公開日 | 2014-04-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Conformation-Selective ATP-Competitive Inhibitors Control Regulatory Interactions and Noncatalytic Functions of Mitogen-Activated Protein Kinases.
Chem.Biol., 21, 2014
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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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6ZE4
 | | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide | | 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, 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ... | | 著者 | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | | 登録日 | 2020-06-16 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 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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8QCI
 | | FCGBP D10 Assembly Segment | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Yeshaya, N, Fass, D. | | 登録日 | 2023-08-27 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | VWD domain stabilization by autocatalytic Asp-Pro cleavage.
Protein Sci., 33, 2024
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2X9L
 | | Crystal structure of deacetylase-bog complex in biosynthesis pathway of teicoplanin. | | 分子名称: | N-ACYL GLM PEUDO-TEICOPLANIN DEACETYLASE, ZINC ION, octyl beta-D-glucopyranoside | | 著者 | Chan, H.C, Huang, Y.T, Lyu, S.Y, Huang, C.J, Li, Y.S, Liu, Y.C, Chou, C.C, Tsai, M.D, Li, T.L. | | 登録日 | 2010-03-23 | | 公開日 | 2011-02-09 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.732 Å) | | 主引用文献 | Regioselective Deacetylation Based on Teicoplanin-Complexed Orf2 Crystal Structures.
Mol.Biosyst., 7, 2011
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8DP2
 | | Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with UMA (Uridine-5'-diphosphate-N-acetylmuramoyl-L-Alanine) | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, GLYCEROL, ... | | 著者 | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2022-07-14 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure of UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from Pseudomonas aeruginosa PAO1 in complex with UMA (Uridine-5'-diphosphate-N-acetylmuramoyl-L-Alanine)
to be published
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7RMR
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7RIJ
 | | [I11G]hyen D | | 分子名称: | ACETATE ION, Cyclotide hyen-D, D-[I11L]hyen D | | 著者 | Du, Q, Huang, Y.H, Wang, C.K, Craik, D.J. | | 登録日 | 2021-07-20 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
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7RIH
 | | hyen D | | 分子名称: | CITRATE ANION, Cyclotide hyen-D, D-[I11L]hyen D | | 著者 | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | | 登録日 | 2021-07-20 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
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7RMS
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4GN2
 | | Crystal Structure of OXA-45, a Class D beta-lactamase with extended spectrum activity | | 分子名称: | Oxacillinase | | 著者 | Martin, J.D, Xiong, X.L, Catto, L.E, Toleman, M.A, Walsh, T.R, Clarke, A.R, Spencer, J. | | 登録日 | 2012-08-16 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural and Kinetic Characterization of OXA-45, a Class D beta-Lactamase with Extended Spectrum activity
To be Published
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5MY6
 | | Crystal structure of a HER2-Nb complex | | 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, GLYCEROL, ... | | 著者 | Sterckx, Y.G.-J, D'Huyvetter, M, Devoogdt, N. | | 登録日 | 2017-01-25 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.246 Å) | | 主引用文献 | (131)I-labeled Anti-HER2 Camelid sdAb as a Theranostic Tool in Cancer Treatment.
Clin. Cancer Res., 23, 2017
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2WI1
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | 分子名称: | 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | 登録日 | 2009-05-08 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI2
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | 分子名称: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | 登録日 | 2009-05-08 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI3
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | 分子名称: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN, HSP 90-ALPHA, ... | | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | 登録日 | 2009-05-08 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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3P3B
 | | CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE | | 分子名称: | D(-)-TARTARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein | | 著者 | Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2010-10-04 | | 公開日 | 2011-06-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF Galacturonate DEHYDRATASE FROM GEOBACILLUS SP. COMPLEXED WITH D-TARTRATE.
To be Published
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3FVE
 | | Crystal structure of diaminopimelate epimerase Mycobacterium tuberculosis DapF | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Diaminopimelate epimerase, GLYCEROL | | 著者 | Usha, V, Dover, L.G, Roper, D.I, Futterer, K, Besra, G.S. | | 登録日 | 2009-01-15 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of the diaminopimelate epimerase DapF from Mycobacterium tuberculosis
Acta Crystallogr.,Sect.D, 65, 2009
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4ZQL
 | | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor | | 分子名称: | 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, ... | | 著者 | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | | 登録日 | 2015-05-10 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor
To Be Published
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2W3W
 | | MYCOBACTERIUM AVIUM DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR M. AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686) | | 分子名称: | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Leung, A.K.W, Reynolds, R.C, Borhani, D.W. | | 登録日 | 2008-11-16 | | 公開日 | 2009-11-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
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6GH2
 | | Paenibacillus sp. YM1 laminaribiose phosphorylase with alpha-glc-1-phosphate bound | | 分子名称: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | | 登録日 | 2018-05-04 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy.
Chembiochem, 20, 2019
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4ZZ1
 | | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID | | 分子名称: | (S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | | 著者 | Deis, S.M, Dann III, C.E. | | 登録日 | 2015-05-22 | | 公開日 | 2015-12-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.351 Å) | | 主引用文献 | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
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7MGY
 | | Sco GlgEI-V279S in complex with 4-alpha-glucoside of valienamine | | 分子名称: | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Jayasinghe, T.D, Ronning, D.R. | | 登録日 | 2021-04-13 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Stereoselective synthesis of a 4-⍺-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S.
Sci Rep, 11, 2021
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8UQV
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