7ZB8
 
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant K61A at 2.48 A resolution | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A. | | 登録日 | 2022-03-23 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
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4UCJ
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | 分子名称: | RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION | | 著者 | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | 登録日 | 2014-12-03 | | 公開日 | 2015-11-18 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.26 Å) | | 主引用文献 | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
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4ZYK
 | | Crystal Structure of Quaternary-Specific RSV-Neutralizing Human Antibody AM14 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, AM14 Fab heavy chain, ... | | 著者 | Gilman, M.S.A, McLellan, J.S. | | 登録日 | 2015-05-21 | | 公開日 | 2015-07-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
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6IYH
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1A4C
 | | AZURIN MUTANT WITH MET 121 REPLACED BY HIS, PH 3.5 CRYSTAL FORM, DATA COLLECTED AT-180 DEGREES CELSIUS | | 分子名称: | AZURIN, COPPER (II) ION, NITRATE ION, ... | | 著者 | Messerschmidt, A, Prade, L. | | 登録日 | 1998-01-28 | | 公開日 | 1998-04-29 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH.
Proc.Natl.Acad.Sci.USA, 95, 1998
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5I4Z
 | | Structure of apo OmoMYC | | 分子名称: | CHLORIDE ION, GLYCEROL, Myc proto-oncogene protein, ... | | 著者 | Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C. | | 登録日 | 2016-02-13 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors.
Oncogene, 36, 2017
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4UIK
 | | crystal structure of quinine-dependent Fab 314.1 | | 分子名称: | FAB 314.1 | | 著者 | Zhu, J, Zhu, J, Bougie, D.W, Aster, R.H, Springer, T.A. | | 登録日 | 2015-03-30 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Basis for Quinine-Dependent Antibody Binding to Platelet Integrin Alphaiib Beta3
Blood, 126, 2015
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6EZZ
 | | Crystal structure of Escherichia coli amine oxidase mutant E573Q | | 分子名称: | CALCIUM ION, COPPER (II) ION, GLYCEROL, ... | | 著者 | Gaule, T.G, Smith, M.A, Tych, K.M, Pirrat, P, Trinh, C.H, Pearson, A.R, Knowles, P.F, McPherson, M.J. | | 登録日 | 2017-11-16 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Oxygen Activation Switch in the Copper Amine Oxidase of Escherichia coli.
Biochemistry, 57, 2018
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6Q7B
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09 | | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-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 (1.009 Å) | | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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5A8Y
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... | | 著者 | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | 登録日 | 2015-07-17 | | 公開日 | 2016-08-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: In Vivo Efficacy of the Polar Pyrimidopyridazine Bay-8040 in a Pulmonary Arterial Hypertension Rat Model.
Chemmedchem, 11, 2016
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1AMU
 | | PHENYLALANINE ACTIVATING DOMAIN OF GRAMICIDIN SYNTHETASE 1 IN A COMPLEX WITH AMP AND PHENYLALANINE | | 分子名称: | ADENOSINE MONOPHOSPHATE, GRAMICIDIN SYNTHETASE 1, MAGNESIUM ION, ... | | 著者 | Conti, E, Stachelhaus, T, Marahiel, M.A, Brick, P. | | 登録日 | 1997-06-18 | | 公開日 | 1998-07-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis for the activation of phenylalanine in the non-ribosomal biosynthesis of gramicidin S.
EMBO J., 16, 1997
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4UOR
 | | Structure of lipoteichoic acid synthase LtaS from Listeria monocytogenes in complex with glycerol phosphate | | 分子名称: | (2R)-2,3-dihydroxypropyl phosphate, LIPOTEICHOIC ACID SYNTHASE, MAGNESIUM ION | | 著者 | Campeotto, I, Freemont, P, Grundling, A. | | 登録日 | 2014-06-09 | | 公開日 | 2014-08-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | | 主引用文献 | Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system.
J. Biol. Chem., 289, 2014
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5AAC
 | | Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | | 分子名称: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2015-07-23 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
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7YYB
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4UOP
 | | Crystal structure of the lipoteichoic acid synthase LtaP from Listeria monocytogenes | | 分子名称: | CHLORIDE ION, LIPOTEICHOIC ACID PRIMASE, MAGNESIUM ION, ... | | 著者 | Campeotto, I, Freemont, P, Grundling, A. | | 登録日 | 2014-06-06 | | 公開日 | 2014-08-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural and mechanistic insight into the Listeria monocytogenes two-enzyme lipoteichoic acid synthesis system.
J. Biol. Chem., 289, 2014
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6IZR
 | | Whole structure of a 15-stranded ParM filament from Clostridium botulinum | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative plasmid segregation protein ParM | | 著者 | Koh, F, Narita, A, Lee, L.J, Tan, Y.Z, Dandey, V.P, Tanaka, K, Popp, D, Robinson, R.C. | | 登録日 | 2018-12-20 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | The structure of a 15-stranded actin-like filament from Clostridium botulinum.
Nat Commun, 10, 2019
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6F3G
 | | IRAK4 IN COMPLEX WITH inhibitor | | 分子名称: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine | | 著者 | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | 登録日 | 2017-11-28 | | 公開日 | 2018-05-23 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
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1A6R
 | | GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A | | 分子名称: | GAL6, SULFATE ION | | 著者 | Joshua-Tor, L, Zheng, W, Johnston, S.A. | | 登録日 | 1998-02-27 | | 公開日 | 1998-10-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase.
Cell(Cambridge,Mass.), 93, 1998
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6F2A
 | | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/Lysine | | 分子名称: | ACETIC ACID, CHLORIDE ION, FE (II) ION, ... | | 著者 | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | | 登録日 | 2017-11-24 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
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6MQ9
 | | Crystal Structure of GTPase Domain of Human Septin 12 in complex with GMPPNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Septin-12 | | 著者 | Castro, D.K.S.V, Pereira, H.M, Brandao-Neto, J, Ulian, A.P.U, Garratt, R.C. | | 登録日 | 2018-10-09 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface.
Iucrj, 7, 2020
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6WCF
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 3 | | 著者 | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2020-03-30 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.065 Å) | | 主引用文献 | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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7KZG
 | | Human MBD4 glycosylase domain bound to DNA containing oxacarbenium-ion analog 1-aza-2'-deoxyribose | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | 登録日 | 2020-12-10 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
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6F6R
 | | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | | 分子名称: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | | 著者 | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | | 登録日 | 2017-12-06 | | 公開日 | 2018-05-02 | | 最終更新日 | 2018-05-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
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5IEN
 | | Structure of CDL2.2, a computationally designed Vitamin-D3 binder | | 分子名称: | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL | | 著者 | Stoddard, B.L, Doyle, L.A. | | 登録日 | 2016-02-25 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.089 Å) | | 主引用文献 | Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
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6CJI
 | | Candida albicans Hsp90 nucleotide binding domain | | 分子名称: | 1,2-ETHANEDIOL, Heat shock protein 90 homolog | | 著者 | Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-26 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
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