1GHQ
 
 | | CR2-C3D COMPLEX STRUCTURE | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, COMPLEMENT C3, CR2/CD121/C3D/EPSTEIN-BARR VIRUS RECEPTOR, ... | | 著者 | Szakonyi, G, Guthridge, J.M, Li, D, Holers, V.M, Chen, X.S. | | 登録日 | 2001-01-11 | | 公開日 | 2001-06-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structure of complement receptor 2 in complex with its C3d ligand.
Science, 292, 2001
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6Q7C
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | 登録日 | 2018-12-13 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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1FVV
 | | THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR | | 分子名称: | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE, CYCLIN A, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | | 登録日 | 2000-09-20 | | 公開日 | 2001-01-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
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6QAA
 | | Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1H-indol-3-yl)propanamide | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | | 主引用文献 | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease.
Chem.Commun.(Camb.), 55, 2019
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4WOT
 | | ROCK2 IN COMPLEX WITH 1426382-07-1 | | 分子名称: | Rho-associated protein kinase 2, methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate | | 著者 | Augustin, M, Krapp, S, Boland, S, Defert, O, Bourin, A, Alen, J, Leysen, D. | | 登録日 | 2014-10-16 | | 公開日 | 2015-05-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors.
J. Med. Chem., 58, 2015
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6QAG
 | | ERK2 mini-fragment binding | | 分子名称: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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3Q28
 | | Cyrstal structure of human alpha-synuclein (58-79) fused to maltose binding protein (MBP) | | 分子名称: | Maltose-binding periplasmic protein/alpha-synuclein chimeric protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Zhao, M, Sawaya, M.R, Cascio, D, Eisenberg, D. | | 登録日 | 2010-12-19 | | 公開日 | 2011-06-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structures of segments of alpha-synuclein fused to maltose-binding protein suggest intermediate states during amyloid formation
Protein Sci., 20, 2011
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1GJO
 | | The FGFr2 tyrosine kinase domain | | 分子名称: | FIBROBLAST GROWTH FACTOR RECEPTOR 2, SULFATE ION | | 著者 | Ceska, T.A, Owens, R, Doyle, C, Hamlyn, P, Crabbe, T, Moffat, D, Davis, J, Martin, R, Perry, M.J. | | 登録日 | 2001-07-31 | | 公開日 | 2003-08-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The Fgfr2 Tyrosine Kinase Domain
To be Published
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6ZNV
 | | Protein polybromo-1 (PB1 BD2) Bound To DP28 | | 分子名称: | 1,2-ETHANEDIOL, 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol, ACETATE ION, ... | | 著者 | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | | 登録日 | 2020-07-06 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
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1G0O
 | | STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND PYROQUILON | | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PYROQUILON, TRIHYDROXYNAPHTHALENE REDUCTASE | | 著者 | Liao, D, Basarab, G.S, Gatenby, A.A, Valent, B, Jordan, D.B. | | 登録日 | 2000-10-06 | | 公開日 | 2001-06-06 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of trihydroxynaphthalene reductase-fungicide complexes: implications for structure-based design and catalysis.
Structure, 9, 2001
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1G1F
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH A TRI-PHOSPHORYLATED PEPTIDE (RDI(PTR)ETD(PTR)(PTR)RK) FROM THE INSULIN RECEPTOR KINASE | | 分子名称: | PROTEIN TYROSINE PHOSPHATASE 1B, TRI-PHOSPHORYLATED PEPTIDE FROM THE INSULIN RECEPTOR KINASE | | 著者 | Salmeen, A, Andersen, J.N, Myers, M.P, Tonks, N.K, Barford, D. | | 登録日 | 2000-10-11 | | 公開日 | 2001-01-17 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular basis for the dephosphorylation of the activation segment of the insulin receptor by protein tyrosine phosphatase 1B.
Mol.Cell, 6, 2000
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4X6J
 | | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | | 分子名称: | 2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide, CHLORIDE ION, Cathepsin K, ... | | 著者 | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | | 登録日 | 2014-12-08 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.
J.Med.Chem., 58, 2015
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6OF5
 | | The crystal structure of dodecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ... | | 著者 | Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P. | | 登録日 | 2019-03-28 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
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4R5N
 | | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | | 分子名称: | (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A, Smith, D. | | 登録日 | 2014-08-21 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
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6OI3
 | | Crystal structure of human WDR5 in complex with monomethyl H3R2 peptide | | 分子名称: | GLYCEROL, Monomethyl H3R2 peptide, SULFATE ION, ... | | 著者 | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | | 登録日 | 2019-04-08 | | 公開日 | 2020-04-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
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4WJA
 | | Crystal Structure of PAXX | | 分子名称: | Uncharacterized protein C9orf142 | | 著者 | Xing, M, Yang, M, Huo, W, Feng, F, Wei, L, Ning, S, Yan, Z, Li, W, Wang, Q, Hou, M, Dong, C, Guo, R, Gao, G, Ji, J, Lan, L, Liang, H, Xu, D. | | 登録日 | 2014-09-29 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Interactome analysis identifies a new paralogue of XRCC4 in non-homologous end joining DNA repair pathway.
Nat Commun, 6, 2015
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8ERW
 | | Precisely patterned nanofibers made from extendable protein multiplexes | | 分子名称: | C2HR4_8r | | 著者 | Bick, M.J, Parmeggiani, F, Bethel, N.P, Sankaran, B, Baker, D. | | 登録日 | 2022-10-12 | | 公開日 | 2023-08-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
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8EO5
 | | Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRA-5 | | 著者 | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | | 登録日 | 2022-10-02 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
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1GD5
 | | SOLUTION STRUCTURE OF THE PX DOMAIN FROM HUMAN P47PHOX NADPH OXIDASE | | 分子名称: | NEUTROPHIL CYTOSOL FACTOR 1 | | 著者 | Hiroaki, H, Ago, T, Ito, T, Sumimoto, H, Kohda, D. | | 登録日 | 2000-09-14 | | 公開日 | 2001-06-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the PX domain, a target of the SH3 domain.
Nat.Struct.Biol., 8, 2001
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1GMN
 | | CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR | | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR | | 著者 | Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E. | | 登録日 | 2001-09-19 | | 公開日 | 2001-10-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor
Embo J., 20, 2001
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4WZ9
 | | APN1 from Anopheles gambiae | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, AGAP004809-PA, ALA-ALA-ALA-LYS-ALA, ... | | 著者 | Atkinson, S.C, Armistead, J.S, Mathias, D.K, Sandeu, M.M, Tao, D, Borhani-Dizaji, N, Morlais, I, Dinglasan, R.R, Borg, N.A. | | 登録日 | 2014-11-19 | | 公開日 | 2015-06-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | The Anopheles-midgut APN1 structure reveals a new malaria transmission-blocking vaccine epitope.
Nat.Struct.Mol.Biol., 22, 2015
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1S0W
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4X2K
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, TGF-beta receptor type-1 | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-26 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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1GKN
 | | Structure Determination and Rational Mutagenesis reveal binding surface of immune adherence receptor, CR1 (CD35) | | 分子名称: | COMPLEMENT RECEPTOR TYPE 1 | | 著者 | Smith, B.O, Mallin, R.L, Krych-Goldberg, M, Wang, X, Hauhart, R.E, Bromek, K, Uhrin, D, Atkinson, J.P, Barlow, P.N. | | 登録日 | 2001-08-16 | | 公開日 | 2002-04-18 | | 最終更新日 | 2011-07-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the C3B Binding Site of Cr1 (Cd35), the Immune Adherence Receptor
Cell(Cambridge,Mass.), 108, 2002
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1GN0
 | | Escherichia coli GlpE sulfurtransferase soaked with KCN | | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, THIOSULFATE SULFURTRANSFERASE GLPE | | 著者 | Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D. | | 登録日 | 2001-10-01 | | 公開日 | 2001-11-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily
Structure, 9, 2001
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