2OBF
 
 | | Structure of K57A hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy (SAH) | | 分子名称: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Drinkwater, N, Martin, J.L. | | 登録日 | 2006-12-19 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
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4R5V
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4R7M
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6EE3
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6k) and catalytic zinc ion | | 分子名称: | (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-13 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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6EED
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6p) and catalytic zinc ion | | 分子名称: | (2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-13 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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6EA2
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6EAB
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6EAA
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6EA1
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6da) and catalytic zinc ion | | 分子名称: | (2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-02 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.815 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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6EE4
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6m) and catalytic zinc ion | | 分子名称: | (2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-13 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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6EE2
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6EEE
 | | X-ray crystal structure of Pf-M17 in complex with inhibitor (6k) and regulatory zinc ion | | 分子名称: | (1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide, 1,2-ETHANEDIOL, CARBONATE ION, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-13 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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6EE6
 | | X-ray crystal structure of Pf-M1 in complex with inhibitor (6o) and catalytic zinc ion | | 分子名称: | (2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2018-08-13 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
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2G8N
 | | Structure of hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy | | 分子名称: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Drinkwater, N, Gee, C.L, Martin, J.L. | | 登録日 | 2006-03-02 | | 公開日 | 2006-09-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Comparison of the Binding of 3-Fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with Their Isosteric Sulfonamides to the Active Site of Phenylethanolamine N-Methyltransferase
J.Med.Chem., 49, 2006
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6WVV
 | | Plasmodium vivax M17 leucyl aminopeptidase | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, M17 leucyl aminopeptidase, ... | | 著者 | Malcolm, T.R, Drinkwater, N, McGowan, S. | | 登録日 | 2020-05-07 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Active site metals mediate an oligomeric equilibrium in Plasmodium M17 aminopeptidases.
J.Biol.Chem., 296, 2020
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6N7Q
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8SLO
 | | Plasmodium falciparum M1 aminopeptidase bound to selective inhibitor MIPS2673 | | 分子名称: | 2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide, GLYCEROL, M1 family aminopeptidase, ... | | 著者 | McGowan, S.M, Drinkwater, N. | | 登録日 | 2023-04-24 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Chemoproteomics validates selective targeting of Plasmodium M1 alanyl aminopeptidase as an antimalarial strategy.
Elife, 13, 2024
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6OIU
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6N87
 | | Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide | | 分子名称: | Apical membrane antigen-1, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, backbone-cyclised peptide bcRON2hp | | 著者 | McGowan, S, Drinkwater, N. | | 登録日 | 2018-11-28 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.588 Å) | | 主引用文献 | Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe.
ChemMedChem, 14, 2019
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4QY8
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8) in complex with 3D7-MSP2 14-30 | | 分子名称: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | | 著者 | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | 登録日 | 2014-07-24 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.353 Å) | | 主引用文献 | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
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4QYO
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 14-22 | | 分子名称: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | | 著者 | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | 登録日 | 2014-07-24 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.208 Å) | | 主引用文献 | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
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4R3S
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 11-23 | | 分子名称: | FV FRAGMENT(MAB6D8) HEAVY CHAIN, FV FRAGMENT(MAB6D8) LIGHT CHAIN, Merozoite surface protein | | 著者 | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | 登録日 | 2014-08-18 | | 公開日 | 2015-06-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate
Sci Rep, 5, 2015
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5J7C
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5J7K
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5KYO
 | | Crystal Structure of CYP101J2 | | 分子名称: | CYP101J2, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S. | | 登録日 | 2016-07-22 | | 公開日 | 2017-01-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2.
Proteins, 85, 2017
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