5HDZ
 
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5HD0
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5HDU
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5HDV
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5HE5
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5I1V
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1YW8
 | | h-MetAP2 complexed with A751277 | | 分子名称: | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | | 著者 | Park, C.H. | | 登録日 | 2005-02-17 | | 公開日 | 2006-02-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
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5I1W
 | | Crystal structure of CrmK, a flavoenzyme involved in the shunt product recycling mechanism in caerulomycin biosynthesis | | 分子名称: | 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde, 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol, CrmK, ... | | 著者 | Picard, M.-E, Barma, J, Shi, R. | | 登録日 | 2016-02-07 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Biochemical and structural insights into flavoenzyme CrmK reveals a shunt product recycling mechanism in caerulomycin biosynthesis
to be published
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1YW7
 | | h-MetAP2 complexed with A444148 | | 分子名称: | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | | 著者 | Park, C.H. | | 登録日 | 2005-02-17 | | 公開日 | 2006-02-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
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1YW9
 | | h-MetAP2 complexed with A849519 | | 分子名称: | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | | 著者 | Park, C.H. | | 登録日 | 2005-02-17 | | 公開日 | 2006-02-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
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8DLB
 | | Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083 | | 分子名称: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase | | 著者 | Kovalevsky, A.Y, Coates, L, Kneller, D.W. | | 登録日 | 2022-07-07 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J.Chem.Inf.Model., 63, 2023
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8DMD
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8DL9
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8EUA
 | | Structure of SARS-CoV2 PLpro bound to a covalent inhibitor | | 分子名称: | Papain-like protease nsp3, SULFATE ION, ZINC ION, ... | | 著者 | Mathews, I.I, Pokhrel, S, Wakatsuki, S. | | 登録日 | 2022-10-18 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Nat Commun, 14, 2023
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3Q96
 | | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | | 分子名称: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | | 著者 | Sintchak, M.D, Aertgeerts, K, Yano, J. | | 登録日 | 2011-01-07 | | 公開日 | 2011-03-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
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6MEV
 | | Structure of JMJD6 bound to Mono-Methyl Arginine. | | 分子名称: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | | 著者 | Lee, S, Zhang, G. | | 登録日 | 2018-09-07 | | 公開日 | 2019-09-18 | | 最終更新日 | 2020-04-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
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4MFI
 | | Crystal structure of Mycobacterium tuberculosis UgpB | | 分子名称: | Sn-glycerol-3-phosphate ABC transporter substrate-binding protein UspB | | 著者 | Jiang, D, Bartlam, M, Rao, Z. | | 登録日 | 2013-08-28 | | 公開日 | 2014-07-23 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural analysis of Mycobacterium tuberculosis ATP-binding cassette transporter subunit UgpB reveals specificity for glycerophosphocholine
Febs J., 281, 2014
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4H3I
 | | Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile | | 分子名称: | 3-{5-[(2E,4aR,7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | 著者 | Strickland, C, Mandal, M. | | 登録日 | 2012-09-13 | | 公開日 | 2012-11-07 | | 最終更新日 | 2012-11-21 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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6CCM
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | 分子名称: | 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-07 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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6CCS
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6CHN
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate | | 分子名称: | DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CKW
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile | | 分子名称: | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-03-01 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CHO
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | 分子名称: | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CCO
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6CCQ
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