1NI6
| Comparisions of the Heme-Free and-Bound Crystal Structures of Human Heme Oxygenase-1 | 分子名称: | CHLORIDE ION, Heme oxygenase 1, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | 著者 | Lad, L, Schuller, D.J, Friedman, J, Li, H, Shimizu, H, Ortiz de Montellano, P.R, Poulos, T.L. | 登録日 | 2002-12-21 | 公開日 | 2003-04-01 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1 J.Biol.Chem., 278, 2003
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6PFG
| Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid. | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.706 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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1NB1
| High resolution solution structure of kalata B1 | 分子名称: | kalata B1 | 著者 | Rosengren, K.J, Daly, N.L, Plan, M.R, Waine, C, Craik, D.J. | 登録日 | 2002-12-01 | 公開日 | 2003-03-18 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Twists, Knots, and Rings in Proteins. STRUCTURAL DEFINITION OF THE CYCLOTIDE FRAMEWORK J.Biol.Chem., 278, 2003
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1NEM
| Saccharide-RNA recognition in the neomycin B / RNA aptamer complex | 分子名称: | 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose, 2,6-diamino-2,6-dideoxy-beta-L-idopyranose-(1-3)-beta-D-ribofuranose, 2-DEOXY-D-STREPTAMINE, ... | 著者 | Jiang, L, Majumdar, A, Hu, W, Jaishree, T.J, Xu, W, Patel, D.J. | 登録日 | 1999-03-15 | 公開日 | 1999-08-31 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Saccharide-RNA recognition in a complex formed between neomycin B and an RNA aptamer Structure Fold.Des., 7, 1999
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6P9O
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6PC7
| E. coli 50S ribosome bound to compound 46 | 分子名称: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | 登録日 | 2019-06-16 | 公開日 | 2020-06-17 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6PPU
| Cryo-EM structure of AdnAB-AMPPNP-DNA complex | 分子名称: | ATP-dependent DNA helicase (UvrD/REP), DNA (29-MER), IRON/SULFUR CLUSTER, ... | 著者 | Jia, N, Unciuleac, M, Shuman, S, Patel, D.J. | 登録日 | 2019-07-08 | 公開日 | 2019-11-20 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection. Proc.Natl.Acad.Sci.USA, 116, 2019
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1O8Z
| Solution structure of SFTI-1(6,5), an acyclic permutant of the proteinase inhibitor SFTI-1, cis-trans-trans conformer (ct-A) | 分子名称: | CYCLIC TRYPSIN INHIBITOR | 著者 | Marx, U.C, Craik, D.J. | 登録日 | 2002-12-09 | 公開日 | 2003-03-13 | 最終更新日 | 2011-07-13 | 実験手法 | SOLUTION NMR | 主引用文献 | Enzymatic Cyclization of a Potent Bowman-Birk Protease Inhibitor, Sunflower Trypsin Inhibitor-1, and Solution Structure of an Acyclic Precursor Peptide J.Biol.Chem., 278, 2003
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6PC8
| E. coli 50S ribosome bound to compound 40q | 分子名称: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | 登録日 | 2019-06-16 | 公開日 | 2020-06-17 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6PF5
| Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxyphenyl)acetic acid | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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6PFF
| Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-cyanobenzoic acid. | 分子名称: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | 登録日 | 2019-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.982 Å) | 主引用文献 | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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1M04
| Mutant Streptomyces plicatus beta-hexosaminidase (D313N) in complex with product (GlcNAc) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | 著者 | Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G. | 登録日 | 2002-06-11 | 公開日 | 2002-12-11 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical
role in substrate-assisted catalysis by orienting the 2-acetamido group
and stabilizing the transition state. J.Biol.Chem., 277, 2002
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1M6B
| Structure of the HER3 (ERBB3) Extracellular Domain | 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, Receptor protein-tyrosine kinase erbB-3, ... | 著者 | Leahy, D.J, Cho, H.-S. | 登録日 | 2002-07-15 | 公開日 | 2002-08-02 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of the extracellular region of HER3 reveals an interdomain tether. Science, 297, 2002
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1M7V
| STRUCTURE OF A NITRIC OXIDE SYNTHASE HEME PROTEIN FROM BACILLUS SUBTILIS WITH TETRAHYDROFOLATE AND ARGININE BOUND | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, ARGININE, Nitric Oxide Synthase, ... | 著者 | Pant, K, Bilwes, A.M, Adak, S, Stuehr, D.J, Crane, B.R. | 登録日 | 2002-07-22 | 公開日 | 2002-10-30 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure of a nitric oxide synthase heme protein from Bacillus subtilis. Biochemistry, 41, 2002
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1MII
| SOLUTION STRUCTURE OF ALPHA-CONOTOXIN MII | 分子名称: | PROTEIN (ALPHA CONOTOXIN MII) | 著者 | Hill, J.M, Oomen, C.J, Miranda, L.P, Bingham, J.P, Alewood, P.F, Craik, D.J. | 登録日 | 1998-10-05 | 公開日 | 1998-10-21 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Three-dimensional solution structure of alpha-conotoxin MII by NMR spectroscopy: effects of solution environment on helicity. Biochemistry, 37, 1998
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6Q4B
| CDK2 in complex with FragLite13 | 分子名称: | 5-bromanylpyrimidine, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4J
| CDK2 in complex with FragLite34 | 分子名称: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6PSZ
| Poliovirus (Type 1 Mahoney), heat-catalysed 135S particle | 分子名称: | VP1, VP2, VP3 | 著者 | Hogle, J.M, Filman, D.J, Shah, P.N.M. | 登録日 | 2019-07-14 | 公開日 | 2020-07-15 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate. Plos Pathog., 16, 2020
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1KR3
| Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050. | 分子名称: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ... | 著者 | Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | 登録日 | 2002-01-08 | 公開日 | 2003-01-08 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
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6Q0B
| Poliovirus (Type 1 Mahoney), receptor-catalysed 135S particle incubated with anti-VP1 mAb at RT for 1 hr | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | 著者 | Hogle, J.M, Filman, D.J, Shah, P.N.M. | 登録日 | 2019-08-01 | 公開日 | 2020-08-05 | 最終更新日 | 2022-12-21 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Cryo-EM structures reveal two distinct conformational states in a picornavirus cell entry intermediate. Plos Pathog., 16, 2020
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1OEY
| Heterodimer of p40phox and p67phox PB1 domains from human NADPH oxidase | 分子名称: | NEUTROPHIL CYTOSOL FACTOR 2, NEUTROPHIL CYTOSOL FACTOR 4 | 著者 | Wilson, M.I, Gill, D.J, Perisic, O, Quinn, M.T, Williams, R.L. | 登録日 | 2003-04-02 | 公開日 | 2003-07-29 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pb1 Domain-Mediated Heterodimerization in Nadph Oxidase and Signaling Complexes of Atypical Protein Kinase C with Par6 and P62 Mol.Cell, 12, 2003
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1NP0
| Human lysosomal beta-hexosaminidase isoform B in complex with intermediate analogue NAG-thiazoline | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-hexosaminidase subunit beta, ... | 著者 | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | 登録日 | 2003-01-16 | 公開日 | 2003-04-29 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease J.Mol.Biol., 327, 2003
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1NTA
| 2.9 A crystal structure of Streptomycin RNA-aptamer | 分子名称: | 5'-R(*CP*GP*GP*CP*AP*CP*CP*AP*CP*GP*GP*UP*CP*GP*GP*AP*UP*C)-3', 5'-R(*GP*GP*AP*UP*CP*GP*CP*AP*UP*UP*UP*GP*GP*AP*CP*UP*UP*CP*UP*GP*CP*C)-3', BARIUM ION, ... | 著者 | Tereshko, V, Skripkin, E, Patel, D.J. | 登録日 | 2003-01-29 | 公開日 | 2003-05-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Encapsulating Streptomycin within a small 40-mer RNA CHEM.BIOL., 10, 2003
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6Q2W
| Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | 分子名称: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | 著者 | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | 登録日 | 2018-12-03 | 公開日 | 2019-05-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
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6Q3C
| CDK2 in complex with FragLite1 | 分子名称: | 4-bromo-1H-pyrazole, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-04 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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