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8A3X
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BU of 8a3x by Molmil
Imine Reductase from Ensifer adhaerens in complex with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NAD_binding_2 domain-containing protein, POTASSIUM ION
Authors:Gilio, A.K, Grogan, G.
Deposit date:2022-06-09
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Reductive Aminase Switches to Imine Reductase Mode for a Bulky Amine Substrate.
Acs Catalysis, 13, 2023
8A5Z
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BU of 8a5z by Molmil
Imine Reductase from Ensifer adhaerens A208N mutant in complex with NADP+
Descriptor: IODIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NAD_binding_2 domain-containing protein
Authors:Gilio, A.K, Grogan, G.
Deposit date:2022-06-16
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A Reductive Aminase Switches to Imine Reductase Mode for a Bulky Amine Substrate.
Acs Catalysis, 13, 2023
7OSN
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BU of 7osn by Molmil
IRED361 from Micromonospora sp. in complex with NADP+
Descriptor: 6-phosphogluconate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gilio, A.K, Harawa, V, Turner, N, Grogan, G.J.
Deposit date:2021-06-09
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Synthesis of Stereoenriched Piperidines via Chemo-Enzymatic Dearomatization of Activated Pyridines.
J.Am.Chem.Soc., 144, 2022
8CE3
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BU of 8ce3 by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with 3D fragment 2548
Descriptor: (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Gilio, A.K, Darby, J.F, Wu, L, Davies, G.J.
Deposit date:2023-02-01
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Modular 3-D Fragment Collection: Design, Synthesis and Screening
To Be Published
6YJS
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BU of 6yjs by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJT
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BU of 6yjt by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJQ
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BU of 6yjq by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A,Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJV
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BU of 6yjv by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP-2-deoxy-2-fluoroglucose and biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJU
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BU of 6yju by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP and biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJR
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BU of 6yjr by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
8BK1
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BU of 8bk1 by Molmil
Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, M206S, A213P, D238G, I240L
Descriptor: Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, ...
Authors:Gilio, A.K, Grogan, G.J.
Deposit date:2022-11-08
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor
Acs Catalysis, 13, 2023
8BJ5
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BU of 8bj5 by Molmil
Imine Reductase IR007 from Amycolatopsis azurea
Descriptor: Imine Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gilio, A.K, Steflik, J, Grogan, G.
Deposit date:2022-11-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor
Acs Catalysis, 13, 2023

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PDB entries from 2024-06-12

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