7AKK
| Structure of a complement factor-receptor complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | 著者 | Fernandez, F.J, Santos-Lopez, J, Martinez-Barricarte, R, Querol-Garcia, J, Navas-Yuste, S, Savko, M, Shepard, W.E, Rodriguez de Cordoba, S, Vega, M.C. | 登録日 | 2020-10-01 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.395 Å) | 主引用文献 | The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor Nat Commun, 13, 2022
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6HBI
| SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, DEOXY FORM | 分子名称: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Royer Junior, W.E. | 登録日 | 1998-06-25 | 公開日 | 1998-11-11 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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5HBI
| SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, CO-LIGANDED FORM | 分子名称: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Royer Junior, W.E. | 登録日 | 1998-06-24 | 公開日 | 1998-11-11 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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4SDH
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1BD2
| COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201 | 分子名称: | BETA-2 MICROGLOBULIN, HLA-A 0201, T CELL RECEPTOR ALPHA, ... | 著者 | Ding, Y.-H, Smith, K.J, Garboczi, D.N, Utz, U, Biddison, W.E, Wiley, D.C. | 登録日 | 1998-05-12 | 公開日 | 1998-08-19 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids. Immunity, 8, 1998
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8R1N
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8R1P
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7Z6U
| Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | 分子名称: | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ... | 著者 | Hochban, P.M.M, Heine, A, Diederich, W.E. | 登録日 | 2022-03-14 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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8AFR
| Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide | 分子名称: | 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1 | 著者 | Hochban, P.M.M, Heine, A, Diederich, W.E. | 登録日 | 2022-07-18 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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4HBI
| SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, DEOXY FORM | 分子名称: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Royer Junior, W.E. | 登録日 | 1998-06-24 | 公開日 | 1998-11-11 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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4U6S
| CtBP1 in complex with substrate phenylpyruvate | 分子名称: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | 著者 | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | 登録日 | 2014-07-29 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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4U6Q
| CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | 分子名称: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | 著者 | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | 登録日 | 2014-07-29 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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2VER
| Structural model for the complex between the Dr adhesins and carcinoembryonic antigen (CEA) | 分子名称: | AFIMBRIAL ADHESIN AFA-III, ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | 著者 | Korotkova, N, Yang, Y, Le Trong, I, Cota, E, Demeler, B, Marchant, J, Thomas, W.E, Stenkamp, R.E, Moseley, S.L, Matthews, S. | 登録日 | 2007-10-26 | 公開日 | 2008-01-08 | 最終更新日 | 2011-07-13 | 実験手法 | SOLUTION NMR | 主引用文献 | Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation. Mol.Microbiol., 67, 2008
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6HBW
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1AQV
| GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine | 著者 | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | 登録日 | 1997-08-01 | 公開日 | 1997-12-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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1AQW
| GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | 著者 | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | 登録日 | 1997-08-03 | 公開日 | 1998-03-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor. Structure, 5, 1997
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7HBI
| SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM | 分子名称: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Royer Junior, W.E. | 登録日 | 1998-06-25 | 公開日 | 1998-11-11 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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5KEG
| Crystal structure of APOBEC3A in complex with a single-stranded DNA | 分子名称: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ... | 著者 | Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A. | 登録日 | 2016-06-09 | 公開日 | 2017-05-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity. Nat Commun, 8, 2017
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2Z8A
| Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with CO Bound to HEME and in the Presence of 3 Atoms of XE | 分子名称: | CARBON MONOXIDE, Globin-1, PHOSPHATE ION, ... | 著者 | Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U. | 登録日 | 2007-09-04 | 公開日 | 2007-11-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis Biochemistry, 46, 2007
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2ZGA
| HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (hexagonal space group) | 分子名称: | (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, Protease | 著者 | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | 登録日 | 2008-01-21 | 公開日 | 2009-02-03 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors J.Mol.Biol., 410, 2011
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2Z85
| Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F Unliganded | 分子名称: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U. | 登録日 | 2007-09-02 | 公開日 | 2007-11-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis Biochemistry, 46, 2007
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1AO7
| COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201 | 分子名称: | BETA-2 MICROGLOBULIN, ETHYL MERCURY ION, HLA-A 0201, ... | 著者 | Garboczi, D.N, Ghosh, P, Utz, U, Fan, Q.R, Biddison, W.E, Wiley, D.C. | 登録日 | 1997-07-21 | 公開日 | 1997-09-17 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of the complex between human T-cell receptor, viral peptide and HLA-A2. Nature, 384, 1996
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6E0I
| Crystal structure of Glucokinase in complex with compound 72 | 分子名称: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ... | 著者 | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | 登録日 | 2018-07-06 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg.Med.Chem., 28, 2020
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6E0E
| Crystal structure of Glucokinase in complex with compound 6 | 分子名称: | 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile, Glucokinase, alpha-D-glucopyranose | 著者 | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | 登録日 | 2018-07-06 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg.Med.Chem., 28, 2020
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8R10
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