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5LOT
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BU of 5lot by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetyl-CoA.
Descriptor: 3-ketoacyl-CoA thiolase-like protein, ACETYL COENZYME *A
Authors:Harijan, R.K, Kiema, T.-R, Wierenga, R.K.
Deposit date:2016-08-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic substrate binding studies of Leishmania mexicana SCP2-thiolase (type-2): unique features of oxyanion hole-1.
Protein Eng. Des. Sel., 30, 2017
5LNQ
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BU of 5lnq by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetoacetyl-CoA.
Descriptor: 3-ketoacyl-CoA thiolase-like protein, ACETOACETYL-COENZYME A
Authors:Harijan, R.K, Kiema, T.-R, Wierenga, R.K.
Deposit date:2016-08-06
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystallographic substrate binding studies of Leishmania mexicana SCP2-thiolase (type-2): unique features of oxyanion hole-1.
Protein Eng. Des. Sel., 30, 2017
5AB6
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BU of 5ab6 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) in complex with acetoacetyl-CoA.
Descriptor: ACETOACETYL-COENZYME A, SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-01
Release date:2016-05-04
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5AB7
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BU of 5ab7 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) in complex with malonyl-CoA.
Descriptor: MALONYL-COENZYME A, SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-02
Release date:2016-05-04
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5AB5
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BU of 5ab5 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) form-II.
Descriptor: SCP2-THIOLASE LIKE PROTEIN, SULFATE ION
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-01
Release date:2016-05-04
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5AB4
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BU of 5ab4 by Molmil
Crystal structure of Trypanosoma brucei SCP2-thiolase like protein (TbSLP) form-I.
Descriptor: SCP2-THIOLASE LIKE PROTEIN
Authors:Harijan, R.K, Kiema, T.R, Wierenga, R.K.
Deposit date:2015-08-01
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:The Scp2-Thiolase-Like Protein (Slp) of Trypanosoma Brucei is an Enzyme Involved in Lipid Metabolism.
Proteins, 84, 2016
5UGF
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BU of 5ugf by Molmil
Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with DADMe-ImmG and phosphate
Descriptor: 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase
Authors:Harijan, R.K, Cameron, S.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2017-01-08
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic-site design for inverse heavy-enzyme isotope effects in human purine nucleoside phosphorylase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3ZBL
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BU of 3zbl by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana: The C123S mutant.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, CHLORIDE ION, ...
Authors:Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
Deposit date:2012-11-10
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
3ZBG
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BU of 3zbg by Molmil
Crystal structure of wild-type SCP2 thiolase from Leishmania mexicana at 1.85 A
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, DIMETHYL SULFOXIDE
Authors:Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
Deposit date:2012-11-09
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
3ZBN
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BU of 3zbn by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with Coenzyme A.
Descriptor: 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, COENZYME A
Authors:Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
Deposit date:2012-11-11
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
3ZBK
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BU of 3zbk by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana: The C123A mutant.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, CHLORIDE ION, ...
Authors:Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
Deposit date:2012-11-10
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
4BIA
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BU of 4bia by Molmil
Crystal structure of SCP2 thiolase from Trypanosoma brucei: The C337A mutant.
Descriptor: 3-KETOACYL-COA THIOLASE, PUTATIVE
Authors:Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
Deposit date:2013-04-10
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
4BI9
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BU of 4bi9 by Molmil
Crystal structure of wild-type SCP2 thiolase from Trypanosoma brucei.
Descriptor: 3-KETOACYL-COA THIOLASE, PUTATIVE
Authors:Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
Deposit date:2013-04-10
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
6DYV
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BU of 6dyv by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((pent-4-yn-1-ylthio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6DZ0
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BU of 6dz0 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((pent-4-yn-1-ylthio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6DZ3
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BU of 6dz3 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6DYU
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BU of 6dyu by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6DYW
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BU of 6dyw by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6DYZ
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BU of 6dyz by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6DYY
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BU of 6dyy by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6DZ2
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BU of 6dz2 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6WS1
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BU of 6ws1 by Molmil
Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH)
Descriptor: 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine, CADMIUM ION, ...
Authors:Harijan, R.K, Mahmoodi, N, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2020-04-30
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Transition-State Analogues of PhenylethanolamineN-Methyltransferase.
J.Am.Chem.Soc., 142, 2020
7TUX
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BU of 7tux by Molmil
Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with [(3S)-4-Hydroxy-3-[({2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)amino]butyl]phosphonic acid
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Hypoxanthine-guanine-xanthine phosphoribosyltransferase, ...
Authors:Harijan, R.K, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2022-02-03
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Inhibition and Mechanism of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase.
Acs Chem.Biol., 17, 2022
7TX2
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BU of 7tx2 by Molmil
Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid
Descriptor: 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine, Phenylethanolamine N-methyltransferase
Authors:Harijan, R.K, Mahmoodi, N, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2022-02-07
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase.
Biochemistry, 62, 2023
7TWU
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BU of 7twu by Molmil
Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid and AdoHcy (SAH)
Descriptor: 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine, CADMIUM ION, ...
Authors:Harijan, R.K, Mahmoodi, N, Minnow, Y.V.T, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2022-02-07
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cell-Effective Transition-State Analogue of Phenylethanolamine N -Methyltransferase.
Biochemistry, 62, 2023

 

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