7U61
 
 | | Crystal Structure of Anti-Nicotine Antibody NIC311 Fab Complexed with Nicotine | | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, NIC311 Fab Heavy Chain, NIC311 Fab Light Chain, ... | | 著者 | Rodarte, J.V, Pancera, M.P, Liban, T.L. | | 登録日 | 2022-03-03 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
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3W32
 | | EGFR kinase domain complexed with compound 20a | | 分子名称: | 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | 著者 | Sogabe, S, Kawakita, Y. | | 登録日 | 2012-12-07 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
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3W33
 | | EGFR kinase domain complexed with compound 19b | | 分子名称: | 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | 著者 | Sogabe, S, Kawakita, Y. | | 登録日 | 2012-12-07 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
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2IUF
 | | The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Murshudov, G, Borovik, A, Grebenko, A, Barynin, V, Vagin, A, Melik-Adamyan, W. | | 登録日 | 2006-06-02 | | 公開日 | 2006-07-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined by X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations.
J.Am.Chem.Soc., 129, 2007
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2IQF
 | | Crystal structure of Helicobacter pylori catalase compound I | | 分子名称: | ACETATE ION, Catalase, OXYGEN ATOM, ... | | 著者 | Loewen, P.C, Carpena, X, Fita, I. | | 登録日 | 2006-10-13 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations.
J.Am.Chem.Soc., 129, 2007
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7RJI
 | | BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid | | 分子名称: | BthTX-IIb, SODIUM ION, STEARIC ACID, ... | | 著者 | Borges, R.J, Fontes, M.R.M. | | 登録日 | 2021-07-21 | | 公開日 | 2022-01-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | BthTX-II from Bothrops jararacussu venom has variants with different oligomeric assemblies: An example of snake venom phospholipases A 2 versatility.
Int.J.Biol.Macromol., 191, 2021
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7RJZ
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3D6E
 | | Crystal structure of the engineered 1,3-1,4-beta-glucanase protein from Bacillus licheniformis | | 分子名称: | Beta-glucanase, CALCIUM ION | | 著者 | Fita, I, Planas, A, Calisto, B.M, Addington, T. | | 登録日 | 2008-05-19 | | 公開日 | 2009-05-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Re-engineering specificity in 1,3-1,4-beta-glucanase to accept branched xyloglucan substrates
Proteins, 79, 2011
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2D4M
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2D4L
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2D4N
 | | Crystal Structure of M-PMV dUTPase complexed with dUPNPP, substrate analogue | | 分子名称: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DU, ... | | 著者 | Nemeth, V, Barabas, O, Vertessy, G.B. | | 登録日 | 2005-10-20 | | 公開日 | 2006-11-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Flexible segments modulate co-folding of dUTPase and nucleocapsid proteins.
Nucleic Acids Res., 35, 2007
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3RCD
 | | HER2 Kinase Domain Complexed with TAK-285 | | 分子名称: | N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide, Receptor tyrosine-protein kinase erbB-2 | | 著者 | Aertgeerts, K, Skene, R, Sogabe, S. | | 登録日 | 2011-03-30 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | | 主引用文献 | Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold.
J.Med.Chem., 54, 2011
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1TMR
 | | THE STRUCTURE OF A 19 RESIDUE FRAGMENT FROM THE C-LOOP OF THE FOURTH EPIDERMAL GROWTH FACTOR-LIKE DOMAIN OF THROMBOMODULIN | | 分子名称: | THROMBOMODULIN PRECURSOR | | 著者 | Adler, M, Seto, M, Nitecki, D, Light, D.R, Morser, J. | | 登録日 | 1994-05-20 | | 公開日 | 1995-06-08 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The structure of a 19-residue fragment from the C-loop of the fourth epidermal growth factor-like domain of thrombomodulin.
J.Biol.Chem., 270, 1995
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6X3N
 | | Co-structure of BTK kinase domain with L-005085737 inhibitor | | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | 著者 | Fischmann, T.O. | | 登録日 | 2020-05-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
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6HVK
 | | Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor | | 分子名称: | Urotensin-2 receptor | | 著者 | Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D. | | 登録日 | 2018-10-11 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
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6X3O
 | | Co-structure of BTK kinase domain with L-005191930 inhibitor | | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | 著者 | Fischmann, T.O. | | 登録日 | 2020-05-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes.
Bioorg.Med.Chem.Lett., 30, 2020
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7TY1
 | | Crystal structure of apo eosinophil cationic protein (ribonuclease 3) from Macaca fascicularis (MfECP) | | 分子名称: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, Eosinophil cationic protein, ... | | 著者 | Tran, T.T.Q, Pham, N.T.H, Calmettes, C, Doucet, N. | | 登録日 | 2022-02-11 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Ancestral sequence reconstruction dissects structural and functional differences among eosinophil ribonucleases.
J.Biol.Chem., 300, 2024
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3CTK
 | | Crystal structure of the type 1 RIP bouganin | | 分子名称: | rRNA N-glycosidase | | 著者 | Fermani, S, Tosi, G, Falini, G, Ripamonti, A, Farini, V, Bolognesi, A, Polito, L. | | 登録日 | 2008-04-14 | | 公開日 | 2008-05-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure/function studies on two type 1 ribosome inactivating proteins: Bouganin and lychnin.
J.Struct.Biol., 168, 2009
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3GWS
 | | Crystal Structure of T3-Bound Thyroid Hormone Receptor | | 分子名称: | 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor beta | | 著者 | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Polikarpov, I, Baxter, J.D, Webb, P. | | 登録日 | 2009-04-01 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function
J.Mol.Biol., 360, 2006
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2H9T
 | | Crystal structure of human alpha-thrombin in complex with suramin | | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, PPACK active site thrombin inhibitor, Thrombin | | 著者 | Lima, L.M.T.R, Polikarpov, I, Monteiro, R.Q. | | 登録日 | 2006-06-11 | | 公開日 | 2007-05-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases.
Biochim.Biophys.Acta, 1794, 2009
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5OQH
 | | Crystal Structure of a disulfide trapped single chain trimer composed of the MHC I heavy chain H-2Kb Y84C K66A mutant, beta-2microglobulin, and ovalbumin-derived peptide | | 分子名称: | Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain | | 著者 | Mikolajek, H, Werner, J.M, Beton, M.E. | | 登録日 | 2017-08-11 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The partial dissociation of MHC class I-bound peptides exposes their N terminus to trimming by endoplasmic reticulum aminopeptidase 1.
J. Biol. Chem., 293, 2018
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5OQI
 | | Crystal Structure of a disulfide trapped single chain trimer composed of the MHC I heavy chain H-2Kb Y84C E63A mutant, beta-2microglobulin, and ovalbumin-derived peptide | | 分子名称: | Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain | | 著者 | Mikolajek, H, Werner, J.M, Beton, M.E. | | 登録日 | 2017-08-11 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The partial dissociation of MHC class I-bound peptides exposes their N terminus to trimming by endoplasmic reticulum aminopeptidase 1.
J. Biol. Chem., 293, 2018
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5TO3
 | | Crystal structure of thrombin mutant W215A/E217A fused to EGF456 of thrombomodulin via a 31-residue linker and bound to PPACK | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | 著者 | Barranco-Medina, S, Murphy, M, Pelc, L, Chen, Z, Di Cera, E, Pozzi, N. | | 登録日 | 2016-10-16 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Rational Design of Protein C Activators.
Sci Rep, 7, 2017
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5OQG
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5OQF
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