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6RRR
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BU of 6rrr by Molmil
Crystal structure of the tyrosinase PvdP from Pseudomonas aeruginosa
分子名称: GLYCEROL, PvdP
著者Wibowo, J.P, Batista, F.A, van Oosterwijk, N, Groves, M.R, Dekker, F.J, Quax, W.J.
登録日2019-05-20
公開日2020-04-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献A novel mechanism of inhibition by phenylthiourea on PvdP, a tyrosinase synthesizing pyoverdine of Pseudomonas aeruginosa.
Int.J.Biol.Macromol., 146, 2020
6RRQ
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BU of 6rrq by Molmil
Crystal structure of tyrosinase PvdP from Pseudomonas aeruginosa bound to copper
分子名称: COPPER (II) ION, GLYCEROL, PvdP
著者Wibowo, J.P, Batista, F.A, van Oosterwijk, N, Groves, M.R, Dekker, F.J, Quax, W.J.
登録日2019-05-20
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A novel mechanism of inhibition by phenylthiourea on PvdP, a tyrosinase synthesizing pyoverdine of Pseudomonas aeruginosa.
Int.J.Biol.Macromol., 146, 2020
6RRP
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BU of 6rrp by Molmil
Crystal structure of tyrosinase PvdP from Pseudomonas aeruginosa bound to copper and phenylthiourea
分子名称: COPPER (II) ION, N-PHENYLTHIOUREA, PvdP
著者Wibowo, J.P, Batista, F.A, van Oosterwijk, N, Groves, M.R, Dekker, F.J, Quax, W.J.
登録日2019-05-20
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel mechanism of inhibition by phenylthiourea on PvdP, a tyrosinase synthesizing pyoverdine of Pseudomonas aeruginosa.
Int.J.Biol.Macromol., 146, 2020
5NL8
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BU of 5nl8 by Molmil
Pex4 of Hansenula Polymorpha
分子名称: Ubiquitin-conjugating enzyme E2-21 kDa
著者Groves, M, Williams, C.
登録日2017-04-04
公開日2018-01-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into K48-linked ubiquitin chain formation by the Pex4p-Pex22p complex.
Biochem. Biophys. Res. Commun., 496, 2018
6R8G
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BU of 6r8g by Molmil
Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with 4-(3,4-difluorophenyl)thiazol-2-amine
分子名称: 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M.
登録日2019-04-01
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Fragment-Based Approach Identifies an Allosteric Pocket that Impacts Malate Dehydrogenase Activity
Commun Biol, 2021
8AGF
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BU of 8agf by Molmil
Crystal structure of human Thiosulfate sulfurtransferase amino acids 2-297
分子名称: Thiosulfate sulfurtransferase
著者Goor, H.v, Grove, M.R, AL-Dahmani, Z.m.
登録日2022-07-19
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The crystal structure of human Thiosulfate sulfurtransferase
To Be Published
7A9H
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BU of 7a9h by Molmil
Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
著者Gierse, R.M, Reddem, E, Grooves, M.R.
登録日2020-09-02
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献First crystal structures of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization.
Sci Rep, 12, 2022
7A9G
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BU of 7a9g by Molmil
Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Mycobacterium tuberculosis with intermediate 2-acetyl-thiamine diphosphate
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase, 2-ACETYL-THIAMINE DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Gierse, R.M, Reddem, E, Grooves, M.R.
登録日2020-09-02
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献First crystal structures of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization.
Sci Rep, 12, 2022
6Y91
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BU of 6y91 by Molmil
Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH
分子名称: Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M.
登録日2020-03-06
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
8OGH
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BU of 8ogh by Molmil
Truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis with butylacetylphosphonate (BAP) bound
分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose-5-phosphate synthase, DI(HYDROXYETHYL)ETHER, ...
著者Gawriljuk, O.V, Oerlemans, R, Groves, R.M.
登録日2023-03-20
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Mycobacterium tuberculosis 1-Deoxy-D-Xylulose 5-Phosphate Synthase in Complex with Butylacetylphosphonate
Crystals, 13, 2023
7ZCZ
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BU of 7zcz by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 1-(4-chlorophenyl)methanamine
分子名称: 1-(4-CHLOROPHENYL)METHANAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-29
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
6XXG
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BU of 6xxg by Molmil
Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Deinococcus radiodurans
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase,1-deoxy-D-xylulose-5-phosphate synthase, CALCIUM ION, MAGNESIUM ION, ...
著者Gierse, R.M, Reddem, E, Grooves, M.R.
登録日2020-01-27
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Identification of a 1-deoxy-D-xylulose-5-phosphate synthase (DXS) mutant with improved crystallographic properties.
Biochem.Biophys.Res.Commun., 539, 2021
1CS8
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BU of 1cs8 by Molmil
CRYSTAL STRUCTURE OF PROCATHEPSIN L
分子名称: HUMAN PROCATHEPSIN L
著者Cygler, M, Coulombe, R.
登録日1999-08-17
公開日1999-08-23
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human procathepsin L reveals the molecular basis of inhibition by the prosegment.
EMBO J., 15, 1996
6AD5
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BU of 6ad5 by Molmil
Crystal Structure of HEWL in complex with TEMED (in the aroma form) after 24 hours under fibrillation conditions
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Seraj, Z, Seyedarabi, A.
登録日2018-07-30
公開日2019-08-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
6ADF
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BU of 6adf by Molmil
Structure of HEWL co-crystallised with TEMED
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Seyedarabi, A, Seraj, Z.
登録日2018-07-31
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
6AEA
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BU of 6aea by Molmil
Crystal Structure of HEWL in complex with TEMED (in the aroma form) after 5 hours under fibrillation conditions
分子名称: CHLORIDE ION, Lysozyme C, N,N,N',N'-tetramethylethane-1,2-diamine, ...
著者Seraj, Z, Seyedarabi, A.
登録日2018-08-04
公開日2019-08-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
6AC2
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BU of 6ac2 by Molmil
Crystal Structure of HEWL at pH 2.2
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Seyedarabi, A, Seraj, Z.
登録日2018-07-24
公開日2019-07-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Cinnamaldehyde and Phenyl Ethyl Alcohol promote the entrapment of intermediate species of HEWL, as revealed by structural, kinetics and thermal stability studies.
Sci Rep, 9, 2019
6ABN
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BU of 6abn by Molmil
Crystal Structure of HEWL at pH 8.6
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Seyedarabi, A, Seraj, Z.
登録日2018-07-22
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
6AHH
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BU of 6ahh by Molmil
Crystal Structure of HEWL in complex with Phenylethyl alcohol (in the aroma form) after 5 hours under fibrillation conditions
分子名称: 2-PHENYL-ETHANOL, CHLORIDE ION, Lysozyme C, ...
著者Seraj, Z, Seyedarabi, A.
登録日2018-08-18
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cinnamaldehyde and Phenyl Ethyl Alcohol promote the entrapment of intermediate species of HEWL, as revealed by structural, kinetics and thermal stability studies.
Sci Rep, 9, 2019
6AHL
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BU of 6ahl by Molmil
Crystal Structure of HEWL in complex with Cinnamaldehyde (in the aroma form) after 5 hours under fibrillation conditions
分子名称: 4-CARBOXYCINNAMIC ACID, ACETATE ION, CHLORIDE ION, ...
著者Seraj, Z, Seyedarabi, A.
登録日2018-08-19
公開日2019-08-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cinnamaldehyde and Phenyl Ethyl Alcohol promote the entrapment of intermediate species of HEWL, as revealed by structural, kinetics and thermal stability studies.
Sci Rep, 9, 2019
7ZHI
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BU of 7zhi by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole
分子名称: Aspartate carbamoyltransferase, INDOLE, SULFATE ION
著者Wang, C, Zhang, B.
登録日2022-04-06
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.946 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZGS
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BU of 7zgs by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
分子名称: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-04
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZEA
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BU of 7zea by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
分子名称: Aspartate carbamoyltransferase, O-benzylhydroxylamine, SODIUM ION, ...
著者Wang, C, Zhang, B.
登録日2022-03-30
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.448 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZID
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BU of 7zid by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14
分子名称: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION, ...
著者Wang, C, Zhang, B.
登録日2022-04-07
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
5OJE
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BU of 5oje by Molmil
Endothiapepsin with Ligand VSK-B24
分子名称: (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Gierse, R.M, Magari, F, Groves, M.R, Heine, A, Klebe, G, Hirsch, A.
登録日2017-07-21
公開日2018-09-12
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin.
ChemMedChem, 13, 2018

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