6W50
 
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | 著者 | Sheriff, S. | | 登録日 | 2020-03-12 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
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1U7P
 | | X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily | | 分子名称: | MAGNESIUM ION, TUNGSTATE(VI)ION, magnesium-dependent phosphatase-1 | | 著者 | Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N. | | 登録日 | 2004-08-04 | | 公開日 | 2004-10-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | X-ray Crystal Structure of the Hypothetical Phosphotyrosine
Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
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8K2E
 | | Crystal structure of YTHDC1 and Y3 complex | | 分子名称: | 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid, SULFATE ION, YTH domain-containing protein 1 | | 著者 | Zhang, H.L, Yang, S.Y. | | 登録日 | 2023-07-12 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | PocketFlow is a data-and-knowledge-driven structure-based molecular generative model
Nat. Mach. Intell., 6, 2024
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4YFF
 | | TNNI3K complexed with inhibitor 2 | | 分子名称: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | | 著者 | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | | 登録日 | 2015-02-25 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
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4YFI
 | | TNNI3K complexed with inhibitor 1 | | 分子名称: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | | 著者 | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | | 登録日 | 2015-02-25 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
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4WXI
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4YZC
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4YZ9
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4YZD
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4ZIM
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1U7O
 | | Magnesium Dependent Phosphatase 1 (MDP-1) | | 分子名称: | ACETATE ION, magnesium-dependent phosphatase-1 | | 著者 | Peisach, E, Selengut, J.D, Dunaway-Mariano, D, Allen, K.N. | | 登録日 | 2004-08-04 | | 公開日 | 2004-10-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily
Biochemistry, 43, 2004
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5ZZD
 | | Crystal structure of a protein from Aspergillus flavus | | 分子名称: | O-methyltransferase lepI, S-ADENOSYLMETHIONINE | | 著者 | Chang, Z.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2018-05-31 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of LepI, a multifunctional SAM-dependent enzyme which catalyzes pericyclic reactions in leporin biosynthesis.
Org.Biomol.Chem., 17, 2019
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5Z65
 | | Crystal structure of porcine aminopeptidase N ectodomain in functional form | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sun, Y.G, Li, R, Jiang, L.G, Qiao, S.L, Zhang, G.P. | | 登録日 | 2018-01-22 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Characterization of the interaction between recombinant porcine aminopeptidase N and spike glycoprotein of porcine epidemic diarrhea virus.
Int. J. Biol. Macromol., 117, 2018
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3K98
 | | HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide | | 分子名称: | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION | | 著者 | Gajiwala, K.S, Davies II, J.F. | | 登録日 | 2009-10-15 | | 公開日 | 2010-02-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
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3K97
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3K99
 | | HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | | 分子名称: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | 著者 | Gajiwala, K.S, Davies II, J.F. | | 登録日 | 2009-10-15 | | 公開日 | 2010-02-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
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3FM9
 | | Analysis of the Structural Determinants Underlying Discrimination between Substrate and Solvent in beta-Phosphoglucomutase Catalysis | | 分子名称: | Beta-phosphoglucomutase, MAGNESIUM ION | | 著者 | Finci, L, Lahiri, S, Peisach, E, Allen, K.N. | | 登録日 | 2008-12-19 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Analysis of the structural determinants underlying discrimination between substrate and solvent in beta-phosphoglucomutase catalysis.
Biochemistry, 48, 2009
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5NGH
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3Q32
 | | Structure of Janus kinase 2 with a pyrrolotriazine inhibitor | | 分子名称: | 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone, Tyrosine-protein kinase JAK2 | | 著者 | Sack, J.S. | | 登録日 | 2010-12-21 | | 公開日 | 2011-02-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3.
Bioorg.Med.Chem.Lett., 21, 2011
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8K0D
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8K0C
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8PFI
 | | Crystal structure of human TLR8 in complex with compound 34 | | 分子名称: | (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | | 著者 | Faller, M, Zink, F. | | 登録日 | 2023-06-16 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.785 Å) | | 主引用文献 | Discovery of the TLR7/8 Antagonist MHV370 for Treatment of Systemic Autoimmune Diseases.
Acs Med.Chem.Lett., 14, 2023
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8JNC
 | | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin | | 分子名称: | (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ... | | 著者 | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | | 登録日 | 2023-06-06 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8JNQ
 | | Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c | | 分子名称: | (1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Jiang, P, Zhang, L.P, Zhang, C.S. | | 登録日 | 2023-06-06 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8JNP
 | | Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with the substrate ikarugamycin | | 分子名称: | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450 CftA, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Jiang, P, Zhang, L.P, Zhang, C.S. | | 登録日 | 2023-06-06 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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