4BVV
 
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | 分子名称: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | | 著者 | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | 登録日 | 2013-06-28 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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5XK3
 | | Crystal structure of apo form Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 | | 分子名称: | SULFATE ION, Undecaprenyl diphosphate synthase | | 著者 | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | | 登録日 | 2017-05-05 | | 公開日 | 2018-01-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5XGQ
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1LZZ
 | | Rat neuronal NOS heme domain with N-isopropyl-N'-hydroxyguanidine bound | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-ISOPROPYL-N'-HYDROXYGUANIDINE, ... | | 著者 | Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L. | | 登録日 | 2002-06-11 | | 公開日 | 2002-11-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide
Synthase Provides Mechanistic Insights into NO Biosynthesis
Biochemistry, 41, 2002
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1M0P
 | | Structure of Dialkylglycine Decarboxylase Complexed with 1-Amino-1-phenylethanephosphonate | | 分子名称: | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID, 2,2-Dialkylglycine Decarboxylase, POTASSIUM ION, ... | | 著者 | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | | 登録日 | 2002-06-13 | | 公開日 | 2002-10-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
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1M60
 | | Solution Structure of Zinc-substituted cytochrome c | | 分子名称: | ZINC SUBSTITUTED HEME C, Zinc-substituted cytochrome c | | 著者 | Qian, C, Yao, Y, Tong, Y, Wang, J, Tang, W. | | 登録日 | 2002-07-11 | | 公開日 | 2002-08-07 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural analysis of zinc-substituted cytochrome c.
J.Biol.Inorg.Chem., 8, 2003
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1M6T
 | | CRYSTAL STRUCTURE OF B562RIL, A REDESIGNED FOUR HELIX BUNDLE | | 分子名称: | SULFATE ION, Soluble cytochrome b562 | | 著者 | Chu, R, Takei, J, Knowlton, J.R, Andrykovitch, M, Pei, W, Kajava, A.V, Steinbach, P.J, Ji, X, Bai, Y. | | 登録日 | 2002-07-17 | | 公開日 | 2002-11-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Redesign of a Four-Helix Bundle Protein by Phage Display Coupled with Proteolysis
and Structural Characterization by NMR and X-ray Crystallography
J.Mol.Biol., 323, 2002
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6AE7
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4BVW
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | 分子名称: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ... | | 著者 | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | 登録日 | 2013-06-28 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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3RSG
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NAD. | | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | 登録日 | 2011-05-02 | | 公開日 | 2011-07-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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6AE5
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1LUJ
 | | Crystal Structure of the Beta-catenin/ICAT Complex | | 分子名称: | Beta-catenin-interacting protein 1, Catenin beta-1 | | 著者 | Graham, T.A, Clements, W.K, Kimelman, D, Xu, W. | | 登録日 | 2002-05-22 | | 公開日 | 2002-10-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The crystal structure of the beta-catenin/ICAT complex reveals the inhibitory mechanism of ICAT.
Mol.Cell, 10, 2002
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3RT9
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Coenzyme A | | 分子名称: | COENZYME A, POTASSIUM ION, Putative uncharacterized protein, ... | | 著者 | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | 登録日 | 2011-05-03 | | 公開日 | 2011-06-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.952 Å) | | 主引用文献 | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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3R0I
 | | IspC in complex with an N-methyl-substituted hydroxamic acid | | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid | | 著者 | Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T. | | 登録日 | 2011-03-08 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).
J.Med.Chem., 54, 2011
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4CCU
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol | | 分子名称: | 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | 登録日 | 2013-10-28 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
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3R27
 | | Crystal structure of the first RRM domain of heterogeneous nuclear ribonucleoprotein L (HnRNP L) | | 分子名称: | GLYCEROL, Heterogeneous nuclear ribonucleoprotein L | | 著者 | Zhang, W, Liu, Y, Zeng, F, Niu, L, Teng, M, Li, X. | | 登録日 | 2011-03-14 | | 公開日 | 2011-09-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Crystal structure of the first RRM domain of heterogeneous nuclear ribonucleoprotein L (HnRNP L)
To be Published
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3ROE
 | | Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Thymidine | | 分子名称: | Apolipoprotein A-I-binding protein, THYMIDINE | | 著者 | Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W. | | 登録日 | 2011-04-25 | | 公開日 | 2012-07-18 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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5XPR
 | | Human endothelin receptor type-B in complex with antagonist bosentan | | 分子名称: | 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide, Endothelin B receptor,Endolysin,Endothelin B receptor, SULFATE ION | | 著者 | Shihoya, W, Nishizawa, T, Yamashita, K, Hirata, K, Okuta, A, Tani, K, Fujiyoshi, Y, Doi, T, Nureki, O. | | 登録日 | 2017-06-04 | | 公開日 | 2017-08-16 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | X-ray structures of endothelin ETB receptor bound to clinical antagonist bosentan and its analog
Nat. Struct. Mol. Biol., 24, 2017
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3RQX
 | | Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis in complex with P1,P4-Di(adenosine-5') tetraphosphate | | 分子名称: | ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, ... | | 著者 | Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2011-04-28 | | 公開日 | 2011-07-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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4QE9
 | | Open MthK pore structure soaked in 10 mM Ba2+/100 mM K+ | | 分子名称: | Calcium-gated potassium channel MthK, POTASSIUM ION | | 著者 | Guo, R, Zeng, W, Cui, H, Chen, L, Ye, S. | | 登録日 | 2014-05-15 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Ionic interactions of Ba2+ blockades in the MthK K+ channel
J.Gen.Physiol., 144, 2014
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1M0Q
 | | Structure of Dialkylglycine Decarboxylase Complexed with S-1-aminoethanephosphonate | | 分子名称: | (1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID, 2,2-Dialkylglycine Decarboxylase, POTASSIUM ION, ... | | 著者 | Liu, W, Rogers, C.J, Fisher, A.J, Toney, M.D. | | 登録日 | 2002-06-13 | | 公開日 | 2002-10-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Aminophosphonate Inhibitors of Dialkylglycine Decarboxylase: Structural Basis for Slow Binding Inhibition
Biochemistry, 41, 2002
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3RRB
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, POTASSIUM ION, ... | | 著者 | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | 登録日 | 2011-04-29 | | 公開日 | 2011-07-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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4CMT
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 3-((1R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)- 5-(3-(methylsulfonyl)phenyl)pyridin-2-amine | | 分子名称: | 3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | | 登録日 | 2014-01-17 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
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4QGM
 | | Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center | | 分子名称: | Acireductone dioxygenase, CADMIUM ION | | 著者 | Milaczewska, A.M, Chruszcz, M, Shabalin, I.G, Cooper, D.R, Borowski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-05-23 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center
To be Published
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6ALZ
 | | Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin | | 分子名称: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Choy, M.S, Peti, W, Page, R. | | 登録日 | 2017-08-08 | | 公開日 | 2017-11-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.208 Å) | | 主引用文献 | PP1:Tautomycetin Complex Reveals a Path toward the Development of PP1-Specific Inhibitors.
J. Am. Chem. Soc., 139, 2017
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