7JGG
 
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5GVL
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS182 | | 分子名称: | (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | | 登録日 | 2016-09-06 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
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7JGF
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5GMI
 | | Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus | | 分子名称: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule C | | 著者 | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | | 登録日 | 2016-07-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
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7O6N
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7OCX
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7OCZ
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5J2X
 | | Crystal Structure of Hsp90-alpha N-domain in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one | | 分子名称: | 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one, Heat shock protein HSP 90-alpha | | 著者 | Amaral, M, Matias, P. | | 登録日 | 2016-03-30 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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7O6L
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5JAX
 | | PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-Br-cGMP | | 分子名称: | 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one, CALCIUM ION, SODIUM ION, ... | | 著者 | Campbell, J.C, Sankaran, B, Kim, C.W. | | 登録日 | 2016-04-12 | | 公開日 | 2017-04-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.486 Å) | | 主引用文献 | Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
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4AMJ
 | | Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist carvedilol | | 分子名称: | (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, BETA-1 ADRENERGIC RECEPTOR, HEGA-10, ... | | 著者 | Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G. | | 登録日 | 2012-03-12 | | 公開日 | 2012-05-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
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2E9P
 | | Structure of h-CHK1 complexed with A771129 | | 分子名称: | 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA, Serine/threonine-protein kinase Chk1 | | 著者 | Park, C. | | 登録日 | 2007-01-26 | | 公開日 | 2008-01-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Based Design, Synthesis and Biological Evaluation of Potent and Selective Macrocyclic Chk1 Inhibitors
To be Published
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5GVM
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS557 | | 分子名称: | 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | 著者 | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | | 登録日 | 2016-09-06 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
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2E9U
 | | Structure of h-CHK1 complexed with A780125 | | 分子名称: | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE, Serine/threonine-protein kinase Chk1 | | 著者 | Park, C. | | 登録日 | 2007-01-27 | | 公開日 | 2008-01-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors
To be Published
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5JK3
 | | Crystal structure of TL11-128 bound to TAK1-TAB1 | | 分子名称: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | | 著者 | Gurbani, D, Westover, K.D. | | 登録日 | 2016-04-25 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.371 Å) | | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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5J1G
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2E9Q
 | | Recombinant pro-11S globulin of pumpkin | | 分子名称: | 11S globulin subunit beta, CHLORIDE ION, PHOSPHATE ION | | 著者 | Fukuda, T, Prak, K, Itoh, T, Masuda, T, Maruyama, N, Mikami, B, Utsumi, S. | | 登録日 | 2007-01-26 | | 公開日 | 2008-02-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Conservation and divergence on plant seed 11S globulins based on crystal structures.
Biochim.Biophys.Acta, 2010
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5J27
 | | HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide | | 分子名称: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide, Heat shock protein HSP 90-alpha | | 著者 | Amaral, M, Matias, P. | | 登録日 | 2016-03-29 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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3BWO
 | | L-tryptophan aminotransferase | | 分子名称: | L-tryptophan aminotransferase | | 著者 | Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y. | | 登録日 | 2008-01-10 | | 公開日 | 2009-03-03 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for the shade avoidance response of plants
To be Published
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3BYZ
 | | 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors | | 分子名称: | (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhang, J, Jordan, S.R, Li, V. | | 登録日 | 2008-01-16 | | 公開日 | 2008-02-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | 2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice.
J.Med.Chem., 51, 2008
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5ELN
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5KR7
 | | KDM4C bound to pyrazolo-pyrimidine scaffold | | 分子名称: | 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CHLORIDE ION, FE (II) ION, ... | | 著者 | Bellon, S.F, Poy, F, Setser, J.W. | | 登録日 | 2016-07-07 | | 公開日 | 2016-08-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of potent, selective KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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7P73
 | | The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1 | | 分子名称: | CALCIUM ION, GLYCEROL, Protein Tax-1, ... | | 著者 | Gogl, G, Cousido-Siah, A, Trave, G. | | 登録日 | 2021-07-19 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
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3CA3
 | | Crystal structure of Sambucus Nigra Agglutinin II (SNA-II)-tetragonal crystal form- complexed to N-Acetylgalactosamine | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Maveyraud, L, Mourey, L. | | 登録日 | 2008-02-19 | | 公開日 | 2008-11-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra
Proteins, 75, 2009
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7P74
 | | The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ-binding motif of RSK1 | | 分子名称: | CALCIUM ION, GLYCEROL, Ribosomal protein S6 kinase alpha-1, ... | | 著者 | Gogl, G, Cousido-Siah, A, Trave, G. | | 登録日 | 2021-07-19 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
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