5DEF
 
 | | Crystal structure of B*27:04 complex bound to the pVIPR peptide | | 分子名称: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | | 著者 | Loll, B, Fabian, H, Huser, H, Hee, C.S, Uchanska-Ziegler, B, Ziegler, A. | | 登録日 | 2015-08-25 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Increased Conformational Flexibility of HLA-B*27 Subtypes Associated With Ankylosing Spondylitis.
Arthritis Rheumatol, 68, 2016
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8SD4
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7 | | 分子名称: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | 著者 | Kadam, R.U, Zhu, X, Wilson, I.A. | | 登録日 | 2023-04-06 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5U6C
 | | Crystal structure of the Mer kinase domain in complex with a macrocyclic inhibitor | | 分子名称: | (10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, Tyrosine-protein kinase Mer | | 著者 | Gajiwala, K.S, Ferre, R.A. | | 登録日 | 2016-12-07 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Axl kinase domain in complex with a macrocyclic inhibitor offers first structural insights into an active TAM receptor kinase.
J. Biol. Chem., 292, 2017
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5OUM
 | | The crystal structure of CK2alpha in complex with compound 21 | | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine | | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2017-08-24 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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2W4P
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3VA8
 | | Crystal structure of enolase FG03645.1 (target EFI-502278) from Gibberella zeae PH-1 complexed with magnesium, formate and sulfate | | 分子名称: | FORMIC ACID, MAGNESIUM ION, PROBABLE DEHYDRATASE, ... | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2011-12-29 | | 公開日 | 2012-02-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of dehydratase FG03645.1 from Gibberella zeae PH-1
To be Published
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4ZQC
 | | Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution. | | 分子名称: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L. | | 登録日 | 2015-05-08 | | 公開日 | 2016-02-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
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9MDC
 | | Crystal Structure of human cyclic GMP-AMP synthase (cGAS) in complex with compound 36; (S)-(6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)(5-(2-hydroxyethoxy)pyrimidin-2-yl)methanone | | 分子名称: | Cyclic GMP-AMP synthase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Sietsema, D.V. | | 登録日 | 2024-12-05 | | 公開日 | 2025-01-01 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization.
Acs Med.Chem.Lett., 15, 2024
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6LKB
 | | Crystal Structure of the peptidylprolyl isomerase domain of Arabidopsis thaliana CYP71. | | 分子名称: | COBALT (II) ION, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Lakhanpal, S, Jobichen, C, Swaminathan, K. | | 登録日 | 2019-12-18 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | Structural and functional analyses of the PPIase domain of Arabidopsis thaliana CYP71 reveal its catalytic activity toward histone H3.
Febs Lett., 595, 2021
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451C
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7BE3
 | | Human Galectin-3 in complex with LacdiNAc | | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | 著者 | Trovao, F, Carvalho, A.L. | | 登録日 | 2020-12-22 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structural Insights into the Molecular Recognition Mechanism of the Cancer and Pathogenic Epitope, LacdiNAc by Immune-Related Lectins.
Chemistry, 27, 2021
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4RN7
 | | The crystal structure of N-acetylmuramoyl-L-alanine amidase from Clostridium difficile 630 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, GLYCEROL, ... | | 著者 | Tan, K, Mulligan, R, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-10-23 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.717 Å) | | 主引用文献 | The crystal structure of N-acetylmuramoyl-L-alanine amidase from Clostridium difficile 630
To be Published
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9MDD
 | | Crystal Structure of human cyclic GMP-AMP synthase (cGAS) in complex with compound 23; (S)-1-(6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-methoxyethan-1-one | | 分子名称: | 3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ... | | 著者 | Sietsema, D.V. | | 登録日 | 2024-12-05 | | 公開日 | 2025-01-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization.
Acs Med.Chem.Lett., 15, 2024
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3EQF
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1RBT
 | | STRUCTURAL STUDY OF MUTANTS OF ESCHERICHIA COLI RIBONUCLEASE HI WITH ENHANCED THERMOSTABILITY | | 分子名称: | RIBONUCLEASE H | | 著者 | Ishikawa, K, Kimura, S, Kanaya, S, Morikawa, K, Nakamura, H. | | 登録日 | 1993-02-16 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural study of mutants of Escherichia coli ribonuclease HI with enhanced thermostability.
Protein Eng., 6, 1993
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4H0B
 | | Complex of G65T Myoglobin with DMSO in its Distal Cavity | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Myoglobin, ... | | 著者 | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | | 登録日 | 2012-09-07 | | 公開日 | 2012-11-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Complex of myoglobin with phenol bound in a proximal cavity.
Acta Crystallogr.,Sect.F, 68, 2012
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3ES1
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6E24
 | | Ternary structure of c-Myc-TBP-TAF1 | | 分子名称: | Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein | | 著者 | Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2018-07-10 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | | 主引用文献 | Multiple direct interactions of TBP with the MYC oncoprotein.
Nat.Struct.Mol.Biol., 26, 2019
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7UUN
 | | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with neomycin | | 分子名称: | 1,2-ETHANEDIOL, Aminocyclitol acetyltransferase ApmA, NEOMYCIN | | 著者 | Stogios, P.J, Evdokimova, E, Di Leo, R, Osipiuk, J, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2022-04-28 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024
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3VEV
 | | Glucokinase in complex with an activator and glucose | | 分子名称: | (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-01-09 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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4RU1
 | | Crystal structure of carbohydrate transporter ACEI_1806 from Acidothermus cellulolyticus 11B, TARGET EFI-510965, in complex with myo-inositol | | 分子名称: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CITRIC ACID, Monosaccharide ABC transporter substrate-binding protein, ... | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siede, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-11-17 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of carbohydrate transporter ACEI_1806 from Acidothermus cellulolyticus, TARGET EFI-510965.
To be Published
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1O13
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3FZS
 | | Crystal Structure of PYK2 complexed with BIRB796 | | 分子名称: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta | | 著者 | Han, S. | | 登録日 | 2009-01-26 | | 公開日 | 2009-03-31 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
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6TAH
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3EQH
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