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6QD9
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BU of 6qd9 by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000065
Descriptor: 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDH
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BU of 6qdh by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000906
Descriptor: 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDE
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BU of 6qde by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000877
Descriptor: 3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDF
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BU of 6qdf by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000096
Descriptor: 3-[[6-tert-butyl-2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDD
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BU of 6qdd by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105
Descriptor: 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDC
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BU of 6qdc by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000101
Descriptor: 3-[[2-[(1-ethylpiperidin-4-yl)-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
8V8L
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BU of 8v8l by Molmil
Switchgrass Chalcone Isomerase
Descriptor: Chalcone-flavonone isomerase family protein, GLYCEROL
Authors:Lewis, J.A, Kang, C.
Deposit date:2023-12-05
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein
Int J Mol Sci, 25, 2024
8V8P
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BU of 8v8p by Molmil
Sorghum Chalcone Isomerase
Descriptor: 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Chalcone-flavonone isomerase family protein
Authors:Lewis, J.A, Kang, C.
Deposit date:2023-12-05
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein
Int J Mol Sci, 25, 2024
8V8N
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BU of 8v8n by Molmil
Switchgrass Chalcone Synthase C170S
Descriptor: Chalcone synthase, GLYCEROL
Authors:Lewis, J.A, Kang, C.
Deposit date:2023-12-05
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein
Int J Mol Sci, 25, 2024
8V8M
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BU of 8v8m by Molmil
Switchgrass Chalcone Synthase
Descriptor: COENZYME A, Chalcone synthase, NARINGENIN
Authors:Lewis, J.A, Kang, C.
Deposit date:2023-12-05
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein
Int J Mol Sci, 25, 2024
8V8O
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BU of 8v8o by Molmil
Switchgrass Chalcone Isomerase-Like Protein
Descriptor: Chalcone-flavonone isomerase family protein
Authors:Lewis, J.A, Kang, C.
Deposit date:2023-12-05
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein
Int J Mol Sci, 25, 2024
3KPB
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BU of 3kpb by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine.
Descriptor: GLYCEROL, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
Authors:Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Cruz, L.A.
Deposit date:2009-11-16
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
5IJT
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BU of 5ijt by Molmil
Human Peroxiredoxin 2 Oxidized (SS)
Descriptor: Peroxiredoxin-2, ZINC ION
Authors:Haynes, A.C, Bolduc, J.A, Lowther, W.T.
Deposit date:2016-03-02
Release date:2017-09-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Novel hyperoxidation resistance motifs in 2-Cys peroxiredoxins.
J. Biol. Chem., 293, 2018
6QDB
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BU of 6qdb by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000081
Descriptor: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDA
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BU of 6qda by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811
Descriptor: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDG
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BU of 6qdg by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169
Descriptor: 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2019-01-01
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
3KPC
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BU of 3kpc by Molmil
Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100
Authors:Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A.
Deposit date:2009-11-16
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair.
J.Mol.Biol., 396, 2010
6Z1H
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BU of 6z1h by Molmil
Ancestral glycosidase (family 1)
Descriptor: ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A.
Deposit date:2020-05-13
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
2ACL
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BU of 2acl by Molmil
Liver X-Receptor alpha Ligand Binding Domain with SB313987
Descriptor: 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J.
Deposit date:2005-07-19
Release date:2005-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure.
J.Med.Chem., 48, 2005
2WSA
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BU of 2wsa by Molmil
Crystal Structure of Leishmania major N-myristoyltransferase (NMT) with bound myristoyl-CoA and a pyrazole sulphonamide ligand (DDD85646)
Descriptor: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G, Structural Genomics Consortium (SGC)
Deposit date:2009-09-04
Release date:2010-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:N-Myristoyltransferase Inhibitors as New Leads to Treat Sleeping Sickness.
Nature, 464, 2010
7N1S
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BU of 7n1s by Molmil
Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase
Descriptor: Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION
Authors:Fernandez, D, Li, L, Brown, J.A, Carozza, J.A.
Deposit date:2021-05-28
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
1Z4U
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BU of 1z4u by Molmil
hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00799585
Descriptor: (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Pfefferkorn, J.A, Greene, M, Nugent, R, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.
Deposit date:2005-03-16
Release date:2005-06-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid
Bioorg.Med.Chem.Lett., 15, 2005
1YVF
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BU of 1yvf by Molmil
Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145
Descriptor: (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Pfefferkorn, J.A, Greene, M.L, Nugent, R.A, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.A, Kilkuskie, R.E, Kopta, L.A, Schwende, F.J.
Deposit date:2005-02-15
Release date:2005-04-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.
Bioorg.Med.Chem.Lett., 15, 2005
8AGM
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BU of 8agm by Molmil
Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65
Descriptor: 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ...
Authors:Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
Deposit date:2022-07-20
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
8AGP
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BU of 8agp by Molmil
Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65
Descriptor: (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ...
Authors:Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
Deposit date:2022-07-20
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published

221716

数据于2024-06-26公开中

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