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New PDB entries with X-ray structure factor data
7HHE
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BU of 7hhe by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1203252645
Descriptor: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-methyl-N-(pyridin-3-yl)acetamide, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHF
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BU of 7hhf by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1267773633
Descriptor: 1,2-ETHANEDIOL, 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine, Hepatoma-derived growth factor-related protein 2, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHG
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BU of 7hhg by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1741966151
Descriptor: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-[(piperidin-4-yl)methyl]methanesulfonamide, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHH
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BU of 7hhh by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1259335862
Descriptor: 1,2-ETHANEDIOL, 1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazine, Hepatoma-derived growth factor-related protein 2, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHI
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BU of 7hhi by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z805551440
Descriptor: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHJ
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BU of 7hhj by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z100642432
Descriptor: 1,2-ETHANEDIOL, 2-bromo-4-fluoro-N,N-dimethylbenzamide, Hepatoma-derived growth factor-related protein 2, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHK
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BU of 7hhk by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1247413608
Descriptor: 1,2-ETHANEDIOL, 1-(methanesulfonyl)piperidin-4-ol, Hepatoma-derived growth factor-related protein 2, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHL
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BU of 7hhl by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1262327517
Descriptor: 1,2-ETHANEDIOL, 6-methyl-N-{[(3S)-pyrrolidin-3-yl]methyl}pyridin-2-amine, Hepatoma-derived growth factor-related protein 2, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHM
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BU of 7hhm by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z234898257
Descriptor: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHN
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BU of 7hhn by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z133632670
Descriptor: (3S)-1-(methanesulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHO
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BU of 7hho by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z235361315
Descriptor: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHP
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BU of 7hhp by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z31723394
Descriptor: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N,N-diethyl-2-methylbenzamide, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHQ
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BU of 7hhq by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1741815708
Descriptor: 1,2-ETHANEDIOL, 2-(2,2-dimethylpyrrolidin-1-yl)ethan-1-amine, Hepatoma-derived growth factor-related protein 2, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
7HHR
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BU of 7hhr by Molmil
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z57744712
Descriptor: 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N,N-dimethylmorpholine-4-sulfonamide, ...
Authors:Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S.
Deposit date:2024-08-29
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
8J4N
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BU of 8j4n by Molmil
Crystal Structure of the Acinetobacter baumannii LysR family regulator AceR effector-binding domain (APO FORM)
Descriptor: Bacterial regulatory helix-turn-helix protein, lysR family protein
Authors:Ma, J.M, Ge, H.H.
Deposit date:2023-04-20
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structure of Acinetobacter baumannii LysR family regulator AceR effector binding domain (apo)
To Be Published
8J4O
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BU of 8j4o by Molmil
Crystal Structure of the Acinetobacter baumannii LysR family regulator AceR effector-binding domain with Spermidine
Descriptor: Bacterial regulatory helix-turn-helix protein, lysR family protein, SPERMIDINE
Authors:Ma, J.M, Ge, H.H.
Deposit date:2023-04-20
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of Acinetobacter baumannii LysR family regulator AceR effector binding domain (apo)
To Be Published
8OTU
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BU of 8otu by Molmil
The crystal structure of PET44, a PETase enzyme from Alkalilimnicola ehrlichii
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dienelactone hydrolase domain-containing protein, ...
Authors:Costanzi, E, Applegate, V, Smits, S.H.J.
Deposit date:2023-04-21
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structure of PET44, a PETase enzyme from Alkalilimnicola ehrlichii
To Be Published
8PS7
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BU of 8ps7 by Molmil
Crystal structure of Medicago truncatula LYR4 kinase domain
Descriptor: GLYCEROL, LysM-domain receptor-like kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Simonsen, B, Gysel, K, Laursen, M, Andersen, K.R.
Deposit date:2023-07-13
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Medicago truncatula LYR4 intracellular domain serves as a scaffold in immunity signaling independent of its phosphorylation activity
Biorxiv, 2024
8QJ6
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BU of 8qj6 by Molmil
Crystal structure of cytochrome domain 1 from PgcA
Descriptor: HEME C, Lipoprotein cytochrome c, SODIUM ION
Authors:Nash, B.W, Edwards, M.J, Clarke, T.A.
Deposit date:2023-09-12
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Tethered heme domains in a triheme cytochrome allow for increased electron transport distances.
Protein Sci., 33, 2024
8QJG
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BU of 8qjg by Molmil
Crystal structure of cytochrome domain 2 from PgcA
Descriptor: 1,2-ETHANEDIOL, HEME C, Lipoprotein cytochrome c, ...
Authors:Nash, B.W, Edwards, M.J, Clarke, T.A.
Deposit date:2023-09-13
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tethered heme domains in a triheme cytochrome allow for increased electron transport distances.
Protein Sci., 33, 2024
8QK0
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BU of 8qk0 by Molmil
Crystal structure of cytochrome domain 3 from PgcA
Descriptor: GLYCEROL, HEME C, Lipoprotein cytochrome c, ...
Authors:Nash, B.W, Edwards, M.J, Clarke, T.A.
Deposit date:2023-09-14
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tethered heme domains in a triheme cytochrome allow for increased electron transport distances.
Protein Sci., 33, 2024
8QYZ
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BU of 8qyz by Molmil
Crystal structure of hiNES2 in complex with Xpo1 and RanGTP
Descriptor: ACETATE ION, Exportin-1, GTP-binding nuclear protein GSP1/CNR1, ...
Authors:Rymarenko, O, Huyton, T, Gorlich, D.
Deposit date:2023-10-26
Release date:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Exploring sequence space and engineering of Xpo1-dependent NESes
To Be Published
8QZ5
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BU of 8qz5 by Molmil
Alpha-1-antitrypsin (Tyr244Phe) in the native conformation
Descriptor: Alpha-1-antitrypsin, PHOSPHATE ION
Authors:Aldobiyan, I, Lomas, D.A, Irving, J.A.
Deposit date:2023-10-26
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural determinants of instability in alpha-1-antitrypsin
To be published
8QZU
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BU of 8qzu by Molmil
XhpG hydrolase mutant S98A of Xenorhabdus hominickii
Descriptor: ACETATE ION, Carboxylesterase
Authors:Calderari, A, Gruez, A, Weissman, K.J.
Deposit date:2023-10-30
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Pyrrolizwilline, a unique bacterial alkaloid assembled by a nonribosomal peptide synthetase and non-enzymatic dimerization.
Angew.Chem.Int.Ed.Engl., 2024
8QZY
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BU of 8qzy by Molmil
Structural and biochemical characterization of diaminopimelate epimerase from Pseudomonas aeruginosa
Descriptor: Diaminopimelate epimerase
Authors:Schneider, P, Blankenfeldt, W.
Deposit date:2023-10-30
Release date:2024-11-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural and biochemical characterization of diaminopimelate epimerase from Pseudomonas aeruginosa
to be published

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數據於2024-11-06公開中

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