4X55
| Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime | 分子名称: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225 | 著者 | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | 登録日 | 2014-12-04 | 公開日 | 2015-03-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.941 Å) | 主引用文献 | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
|
|
7JWW
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
5YWX
| Crystal structure of hematopoietic prostaglandin D synthase in complex with F092 | 分子名称: | GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ... | 著者 | Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A. | 登録日 | 2017-11-30 | 公開日 | 2018-09-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies. Bioorg. Med. Chem., 26, 2018
|
|
6RA0
| |
7JWT
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
5DXT
| p110alpha with GDC-0326 | 分子名称: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | 登録日 | 2015-09-23 | 公開日 | 2016-01-27 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J.Med.Chem., 59, 2016
|
|
7B3K
| Dynamic complex between all-D-enantiomeric peptide D3 with L723P mutant of amyloid precursor protein (APP) 672-726 fragment (amyloid beta 1-55) | 分子名称: | D3 all D-enantimeric peptide, Isoform L-APP677 of Amyloid-beta precursor protein | 著者 | Bocharov, E.V, Volynsky, P.E, Okhrimenko, I.S, Urban, A.S. | 登録日 | 2020-12-01 | 公開日 | 2021-01-13 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | All - d - Enantiomeric Peptide D3 Designed for Alzheimer's Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-beta Precursors. J.Med.Chem., 64, 2021
|
|
7JWU
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
7JWS
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
7JWV
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | 分子名称: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | 著者 | Hurley, T.D, Buchman, C. | 登録日 | 2020-08-26 | 公開日 | 2020-12-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
|
|
2XPW
| TetR(D) in complex with oxytetracycline and magnesium. | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Dalm, D, Proft, J, Palm, G.J, Hinrichs, W. | 登録日 | 2010-08-30 | 公開日 | 2011-09-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Tetr(D) in Complex with Oxytetracycline. To be Published
|
|
2XPV
| TetR(D) in complex with minocycline and magnesium. | 分子名称: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Dalm, D, Proft, J, Palm, G.J, Hinrichs, W. | 登録日 | 2010-08-30 | 公開日 | 2011-09-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Tetr(D) in Complex with Minocycline. To be Published
|
|
4ZKK
| The novel double-fold structure of d(GCATGCATGC) | 分子名称: | COBALT (II) ION, DNA (5'-D(*GP*CP*AP*TP*GP*CP*AP*TP*GP*C)-3') | 著者 | Thirugnanasambandam, A, Karthik, S, Mandal, P.K, Gautham, N. | 登録日 | 2015-04-30 | 公開日 | 2015-10-14 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | The novel double-folded structure of d(GCATGCATGC): a possible model for triplet-repeat sequences Acta Crystallogr.,Sect.D, 71, 2015
|
|
5HKF
| Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with 5-phospho-alpha-D-ribosyl 1-diphosphate (PRPP) | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Orotate phosphoribosyltransferase | 著者 | Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M. | 登録日 | 2016-01-14 | 公開日 | 2017-01-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis. Sci Rep, 7, 2017
|
|
3LMU
| Crystal structure of DTD from Plasmodium falciparum | 分子名称: | D-tyrosyl-tRNA(Tyr) deacylase, IODIDE ION | 著者 | Manickam, Y, Bhatt, T.K, Khan, S, Sharma, A. | 登録日 | 2010-02-01 | 公開日 | 2010-03-02 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states Acta Crystallogr.,Sect.D, 66, 2010
|
|
2YMZ
| Crystal structure of chicken Galectin 2 | 分子名称: | GALECTIN 2, SULFATE ION, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Fernandez, I.S, Ruiz, F.M, Solis, D, Gabius, H.-J, Romero, A. | 登録日 | 2012-10-11 | 公開日 | 2013-08-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Fine-Tuning of Prototype Chicken Galectins: Structure of Cg-2 and Structure-Activity Correlations Acta Crystallogr.,Sect.D, 69, 2013
|
|
1EX1
| BETA-D-GLUCAN EXOHYDROLASE FROM BARLEY | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (BETA-D-GLUCAN EXOHYDROLASE ISOENZYME EXO1), ... | 著者 | Varghese, J.N, Hrmova, M, Fincher, G.B. | 登録日 | 1998-11-10 | 公開日 | 1999-11-17 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Three-dimensional structure of a barley beta-D-glucan exohydrolase, a family 3 glycosyl hydrolase. Structure Fold.Des., 7, 1999
|
|
2VCA
| Family 89 glycoside hydrolase from Clostridium perfringens in complex with beta-N-acetyl-D-glucosamine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, ... | 著者 | Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B. | 登録日 | 2007-09-19 | 公開日 | 2008-03-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib. Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
2VAR
| Crystal structure of Sulfolobus solfataricus 2-keto-3-deoxygluconate kinase complexed with 2-keto-3-deoxygluconate | 分子名称: | 2-KETO-3-DEOXYGLUCONATE, 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid, ADENOSINE MONOPHOSPHATE, ... | 著者 | Potter, J.A, Theodossis, A, Kerou, M, Lamble, H.J, Bull, S.D, Hough, D.W, Danson, M.J, Taylor, G.L. | 登録日 | 2007-09-04 | 公開日 | 2007-10-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Structure of Sulfolobus Solfataricus 2-Keto-3-Deoxygluconate Kinase. Acta Crystallogr.,Sect.D, 64, 2008
|
|
5UU9
| |
6AGM
| |
5UUB
| |
5UN3
| Tetragonal thermolysin (295 K) in the presence of 50% xylose | 分子名称: | CALCIUM ION, CHLORIDE ION, Thermolysin, ... | 著者 | Juers, D. | 登録日 | 2017-01-30 | 公開日 | 2017-02-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.60004437 Å) | 主引用文献 | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
|
|
1GPE
| GLUCOSE OXIDASE FROM PENICILLIUM AMAGASAKIENSE | 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, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Hendle, J, Kalisz, H.M, Hecht, H.J. | 登録日 | 1999-03-24 | 公開日 | 1999-05-06 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 1.8 and 1.9 A resolution structures of the Penicillium amagasakiense and Aspergillus niger glucose oxidases as a basis for modelling substrate complexes. Acta Crystallogr.,Sect.D, 55, 1999
|
|
6AVL
| Orthorhombic Trypsin (295 K) in the presence of 50% xylose | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Juers, D.H. | 登録日 | 2017-09-02 | 公開日 | 2017-09-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
|
|