7A9H
 
 | | Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis | | 分子名称: | 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | | 著者 | Gierse, R.M, Reddem, E, Grooves, M.R. | | 登録日 | 2020-09-02 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | | 主引用文献 | First crystal structures of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization.
Sci Rep, 12, 2022
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8GDJ
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8GDK
 | | Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151 | | 分子名称: | (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Tolbert, W.D, Nguyen, D.N, Pazgier, M. | | 登録日 | 2023-03-06 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
To Be Published
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7SX7
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6H5I
 | | Single Particle Cryo-EM map of human Transferrin receptor 1 - H-Ferritin complex. | | 分子名称: | Ferritin heavy chain, Transferrin receptor protein 1 | | 著者 | Testi, C, Montemiglio, L.C, Vallone, B, Des Georges, A, Boffi, A, Mancia, F, Baiocco, P, Savino, C. | | 登録日 | 2018-07-24 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Cryo-EM structure of the human ferritin-transferrin receptor 1 complex.
Nat Commun, 10, 2019
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6H9B
 | | 1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation | | 分子名称: | 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Varela, P.F, Gigant, B. | | 登録日 | 2018-08-03 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | 1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin-Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation.
J. Med. Chem., 62, 2019
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5HVB
 | | 5-methyl-6-(1-naphthylthio)thieno[2,3-d]pyrimidine 2,4-diamine | | 分子名称: | 5-methyl-6-(naphthalen-1-ylsulfanyl)thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V. | | 登録日 | 2016-01-28 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Human dihydrofolate reductase ternary complex with a series of fluorine substituted 5-methyl-6-(1-napthylthio)[2,3-d]pyrimidine-2,4-diamines
To Be Published
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5N4U
 | | Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one | | 分子名称: | 5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one, Pimtide, Serine/threonine-protein kinase pim-1 | | 著者 | Siefker, C, Heine, A, Klebe, G. | | 登録日 | 2017-02-11 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | A crystallographic fragment study with human Pim-1 kinase
to be published
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8A18
 | | 1.63 A resolution hydroquinone inhibited Sporosarcina pasteurii urease | | 分子名称: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | 著者 | Mazzei, L, Ciurli, S, Cianci, M. | | 登録日 | 2022-06-01 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Inhibition of Urease by Hydroquinones: A Structural and Kinetic Study.
Chemistry, 28, 2022
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8AHY
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5JXA
 | | Crystal structure of ligand-free VRC03 antigen-binding fragment. | | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, PHOSPHATE ION, ... | | 著者 | Zhou, T, Moquin, S, Joyce, M.G, Mascola, J.R, Kwong, P.D. | | 登録日 | 2016-05-12 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies.
Structure, 24, 2016
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5X8I
 | | Crystal structure of human CLK1 in complex with compound 25 | | 分子名称: | 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1 | | 著者 | Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y. | | 登録日 | 2017-03-02 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers
J. Med. Chem., 60, 2017
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8TYP
 | | Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | | 分子名称: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide, Complement C1s subcomponent, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Geisbrecht, B.V. | | 登録日 | 2023-08-25 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs.
J Immunol., 212, 2024
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6HY1
 | | Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal | | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | | 著者 | Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I. | | 登録日 | 2018-10-19 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal
To Be Published
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9M0I
 | | Structure of the intermediate of lactoperoxidase formed with thiocynate and hydrogen peroxidase at 1.99 A resolution. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Viswanathan, V, Maurya, A, Sirohi, H.V, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2025-02-24 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.995 Å) | | 主引用文献 | Structure of the intermediate of lactoperoxidase formed with thiocynate and hydrogen peroxidase at 1.99 A resolution.
To Be Published
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8ALM
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8P7P
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8P7O
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5K8C
 | | X-ray structure of KdnB, 3-deoxy-alpha-D-manno-octulosonate 8-oxidase, from Shewanella oneidensis | | 分子名称: | 1,2-ETHANEDIOL, 3-deoxy-alpha-D-manno-octulosonate 8-oxidase, CHLORIDE ION, ... | | 著者 | Holden, H.M, Thoden, J.B, Zachman-Brockmeyer, T.R. | | 登録日 | 2016-05-28 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structures of KdnB and KdnA from Shewanella oneidensis: Key Enzymes in the Formation of 8-Amino-3,8-Dideoxy-d-Manno-Octulosonic Acid.
Biochemistry, 55, 2016
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3K96
 | | 2.1 Angstrom resolution crystal structure of glycerol-3-phosphate dehydrogenase (gpsA) from Coxiella burnetii | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, Glycerol-3-phosphate dehydrogenase [NAD(P)+] | | 著者 | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2009-10-15 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 2.1 Angstrom Resolution Crystal Structure of Glycerol-3-phosphate Dehydrogenase (gpsA) from Coxiella burnetii.
TO BE PUBLISHED
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8C5H
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6TE5
 | | Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with LQ43 inhibitor compound | | 分子名称: | 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ... | | 著者 | Gelardi, E.L.M, Garavaglia, S. | | 登録日 | 2019-11-11 | | 公開日 | 2020-11-18 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Imidazo[1,2- a ]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
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9HN8
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6DNO
 | | Crystal structure of Protein Phosphatase 1 (PP1) bound to the muscle glycogen-targeting subunit (Gm) | | 分子名称: | Microcystin-LR, Protein phosphatase 1 regulatory subunit 3A, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | | 著者 | Choy, M.S, Kumar, G.S, Peti, W, Page, R. | | 登録日 | 2018-06-07 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Identification of the substrate recruitment mechanism of the muscle glycogen protein phosphatase 1 holoenzyme.
Sci Adv, 4, 2018
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6CZZ
 | | Crystal structure of Arabidopsis thaliana phosphoserine aminotransferase isoform 1 (AtPSAT1) in complex with PLP-phosphoserine geminal diamine intermediate | | 分子名称: | PHOSPHOSERINE, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase 1, ... | | 著者 | Sekula, B, Ruszkowski, M, Dauter, Z. | | 登録日 | 2018-04-09 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Analysis of Phosphoserine Aminotransferase (Isoform 1) FromArabidopsis thaliana- the Enzyme Involved in the Phosphorylated Pathway of Serine Biosynthesis.
Front Plant Sci, 9, 2018
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