8V6U
 
 | | 5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking | | 分子名称: | 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ... | | 著者 | Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L. | | 登録日 | 2023-12-03 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
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6HF1
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4IJ3
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3TD7
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6OP0
 | | Asymmetric hTNF-alpha | | 分子名称: | (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor | | 著者 | Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T. | | 登録日 | 2019-04-23 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
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6OOZ
 | | Asymmetric hTNF-alpha | | 分子名称: | (S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, CHLORIDE ION, Tumor necrosis factor | | 著者 | Arakaki, T.L, Edwards, T.E, Fox III, D, Lecomte, F, Ceska, T. | | 登録日 | 2019-04-23 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
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6OOY
 | | Asymmetric hTNF-alpha | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Tumor necrosis factor, {1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol | | 著者 | Arakaki, T.L, Edwards, T.E, Ceska, T. | | 登録日 | 2019-04-23 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
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3D0N
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3CZV
 | | Crystal structure of the human carbonic anhydrase XIII in complex with acetazolamide | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 13, GLYCEROL, ... | | 著者 | Di Fiore, A, De Simone, G. | | 登録日 | 2008-04-30 | | 公開日 | 2008-07-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide.
Proteins, 74, 2008
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7NYJ
 | | Structure of OBP1 from Varroa destructor, form P3<2>21 | | 分子名称: | CALCIUM ION, Odorant Binding Protein 1 from Varoa destructor, form P3<2>21, ... | | 著者 | Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P. | | 登録日 | 2021-03-22 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.
Sci Rep, 11, 2021
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7NZA
 | | Structure of OBP1 from Varroa destructor, form P2<1> | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Odorant Binding Protein from Varroa destructor, form P2<1>, ... | | 著者 | Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P. | | 登録日 | 2021-03-23 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.199 Å) | | 主引用文献 | A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.
Sci Rep, 11, 2021
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3IAI
 | | Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 9, ... | | 著者 | Alterio, V, Di Fiore, A, De Simone, G. | | 登録日 | 2009-07-14 | | 公開日 | 2009-09-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX.
Proc.Natl.Acad.Sci.USA, 106, 2009
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1NE5
 | | Solution Structure of HERG Specific Scorpion Toxin CnErg1 | | 分子名称: | ergtoxin | | 著者 | Torres, A.M, Paramjit, B, Alewood, P, Kuchel, P.W, Vandenberg, J.I. | | 登録日 | 2002-12-10 | | 公開日 | 2003-04-01 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of CnErg1 (Ergtoxin), a HERG specific scorpion toxin
FEBS Lett., 539, 2003
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3F66
 | | Human c-Met Kinase in complex with quinoxaline inhibitor | | 分子名称: | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor, ... | | 著者 | Meier, C, Ceska, T. | | 登録日 | 2008-11-05 | | 公開日 | 2008-12-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of a novel series of quinoxalines as inhibitors of c-Met kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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1H4C
 | | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA | | 分子名称: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | | 著者 | Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T. | | 登録日 | 2003-02-26 | | 公開日 | 2003-05-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba
J.Biol.Chem., 278, 2003
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1H4D
 | | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA | | 分子名称: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | | 著者 | Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T. | | 登録日 | 2003-02-26 | | 公開日 | 2003-05-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba
J.Biol.Chem., 278, 2003
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1H4E
 | | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA | | 分子名称: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | | 著者 | Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T. | | 登録日 | 2003-02-26 | | 公開日 | 2003-05-09 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba
J.Biol.Chem., 278, 2003
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1HJJ
 | | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA | | 分子名称: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | | 著者 | Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T. | | 登録日 | 2003-02-27 | | 公開日 | 2003-05-09 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba
J.Biol.Chem., 278, 2003
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1HJL
 | | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA | | 分子名称: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | | 著者 | Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T. | | 登録日 | 2003-02-27 | | 公開日 | 2003-05-09 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba
J.Biol.Chem., 278, 2003
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4IX8
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1V10
 | | Structure of Rigidoporus lignosus laccase from hemihedrally twinned crystals | | 分子名称: | COPPER (II) ION, LACCASE | | 著者 | Rizzi, M, Garavaglia, S, Palmieri, F, Cambria, A. | | 登録日 | 2004-04-02 | | 公開日 | 2004-09-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Structure of Rigidoporus Lignosus Laccase Containing a Full Complement of Copper Ions, Reveals an Asymmetrical Arrangement for the T3 Copper Pair
J.Mol.Biol., 342, 2004
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2EWB
 | | The crystal structure of Bovine Lens Leucine Aminopeptidase in complex with zofenoprilat | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, Cytosol aminopeptidase, ... | | 著者 | Alterio, V, Pedone, C, De Simone, G. | | 登録日 | 2005-11-02 | | 公開日 | 2006-04-04 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Metal Ion Substitution in the Catalytic Site Greatly Affects the Binding of Sulfhydryl-Containing Compounds to Leucyl Aminopeptidase.
Biochemistry, 45, 2006
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8T3N
 | | Solution NMR structure of synthetic peptide AMPCry10Aa_5 rational designed from Cry10Aa bacterial protein | | 分子名称: | Pesticidal crystal protein Cry10Aa peptide | | 著者 | Barra, J.B, Freitas, C.D.P, Rios, T.B, Maximiano, M.R, Fernandes, F.C, Amorim, G.C, Porto, W.F, Grossi-de-Sa, M.F, Franco, O.F, Liao, L.M. | | 登録日 | 2023-06-07 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-07-24 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Anti-Staphy Peptides Rationally Designed from Cry10Aa Bacterial Protein.
Acs Omega, 9, 2024
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7KPA
 | | asymmetric hTNF-alpha | | 分子名称: | 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Tumor necrosis factor | | 著者 | Fox III, D, Lukacs, C.M, Ceska, T. | | 登録日 | 2020-11-10 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF.
Nat Commun, 12, 2021
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7KPB
 | | Human TNF-alpha TNFR1 complex bound to conformationally selective antibody | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Fab1974 - Heavy Chain, ... | | 著者 | Fox III, D, Conrady, D.G, Lowe, M, Ceska, T. | | 登録日 | 2020-11-10 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF
Nat Commun, 12, 2021
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