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9G8K
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BU of 9g8k by Molmil
Structure of K+-dependent Na+-PPase from Thermotoga maritima in complex with Ca2+ and Etidronate
分子名称: (1-hydroxyethane-1,1-diyl)bis(phosphonic acid), CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Vidilaseris, K, Liu, J, Goldman, A.
登録日2024-07-23
公開日2025-06-04
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Conformational dynamics and asymmetry in multimodal inhibition of membrane-bound pyrophosphatases
Elife, 2024
9GFY
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BU of 9gfy by Molmil
Endothiapepsin in complex with pepstatin soaked at pH 7.6
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ...
著者Mueller, J.M, Glinca, S.
登録日2024-08-12
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Protonation Effects in Protein-Ligand Complexes - A Case Study of Endothiapepsin and Pepstatin A with Computational and Experimental Methods.
Chemmedchem, 20, 2025
9G6U
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BU of 9g6u by Molmil
p53-Y220C Core Domain Covalently Bound to 3,5-Dichloro-6-Ethylpyrazine-2-carbonitirle Soaked at 5 mM
分子名称: 1,2-ETHANEDIOL, 3,5-bis(chloranyl)-6-ethyl-pyrazine-2-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M.
登録日2024-07-19
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes
Drug Des Devel Ther, 2025
9G6T
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BU of 9g6t by Molmil
p53-Y220C Core Domain Covalently Bound to 5-Chloro-6-methylpyrazine-2-carbonitrile Soaked at 5 mM
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-chloranyl-6-methyl-pyrazine-2-carbonitrile, ...
著者Stahlecker, J, Klett, T, Stehle, T, Boeckler, F.M.
登録日2024-07-19
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes
Drug Des Devel Ther, 2025
7AYG
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BU of 7ayg by Molmil
oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
著者Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
登録日2020-11-12
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
7B2E
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BU of 7b2e by Molmil
quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
著者Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
登録日2020-11-26
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
7ABB
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BU of 7abb by Molmil
The truncated structure of the Bottromycin biosynthetic protein SalCYP
分子名称: HEME C, SalCYP truncation
著者Adam, S, Koehnke, J.
登録日2020-09-07
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.50004339 Å)
主引用文献Characterization of the Stereoselective P450 Enzyme BotCYP Enables the In Vitro Biosynthesis of the Bottromycin Core Scaffold.
J.Am.Chem.Soc., 142, 2020
7A1A
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BU of 7a1a by Molmil
2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
分子名称: Amidohydrolase 2, CALCIUM ION, MAGNESIUM ION
著者Hofer, G, Keller, W.
登録日2020-08-12
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
9H6E
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BU of 9h6e by Molmil
Complex of Histidine-containing phosphotransfer 1 (AHP1) and Response regulator 1 (ARR1) from A. thaliana
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Histidine-containing phosphotransfer protein 1, ...
著者Tran, L.H, Ruszkowski, M.
登録日2024-10-24
公開日2025-03-26
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献ARR1 and AHP interactions in the multi-step phosphorelay system.
Front Plant Sci, 16, 2025
9H3I
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BU of 9h3i by Molmil
trans-aconitate decarboxylase Tad1- wild type
分子名称: Trans-aconitate decarboxylase 1
著者Zheng, L, Bang, G.
登録日2024-10-16
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025
9H4G
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BU of 9h4g by Molmil
trans-aconitate decarboxylase Tad1-R360A binding with trans-aconitate
分子名称: ACONITATE ION, Trans-aconitate decarboxylase 1
著者Zheng, L, Bang, G.
登録日2024-10-18
公開日2025-03-19
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025
9H4H
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BU of 9h4h by Molmil
trans-aconitate decarboxylase Tad1_S320A
分子名称: Trans-aconitate decarboxylase 1
著者Zheng, L, Bange, G.
登録日2024-10-18
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025
9H4E
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BU of 9h4e by Molmil
trans-aconitate decarboxylase Tad1- wild type binding with glycerol
分子名称: GLYCEROL, MAGNESIUM ION, Trans-aconitate decarboxylase 1
著者Zheng, L, Bang, G.
登録日2024-10-18
公開日2025-03-19
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanistic and structural insights into the itaconate-producing trans -aconitate decarboxylase Tad1.
Pnas Nexus, 4, 2025
9EOI
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BU of 9eoi by Molmil
Crystal structure of the GH19 endolysin from Pseudomonas aeruginosa
分子名称: CITRATE ANION, Putative lytic enzyme
著者Edvardsen, P.K.T, Englund, A.N.B, Rohr, A.K, Vaaje-Kolstad, G.
登録日2024-03-14
公開日2025-02-19
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Characterization of the lytic enzyme of Pseudomonas aeruginosa
To Be Published
9EU4
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BU of 9eu4 by Molmil
GH29A alpha-L-fucosidase
分子名称: Exported alpha-L-fucosidase protein, SULFATE ION, beta-L-fucopyranose
著者Yang, Y.Y, Zeuner, B, Morth, J.P.
登録日2024-03-27
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structural elucidation and characterization of GH29A alpha-l-fucosidases and the effect of pH on their transglycosylation.
Febs J., 292, 2025
2FR2
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BU of 2fr2 by Molmil
Crystal Structure of Rv2717c from M. tuberculosis
分子名称: hypothetical protein Rv2717c
著者Hung, L.W, TB Structural Genomics Consortium (TBSGC)
登録日2006-01-18
公開日2006-01-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Rv2717c from Mycobacterium tuberculosis
To be Published
7OUI
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BU of 7oui by Molmil
Structure of C2S2M2-type Photosystem supercomplex from Arabidopsis thaliana (digitonin-extracted)
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Graca, A.T, Hall, M, Persson, K, Schroder, W.P.
登録日2021-06-11
公開日2021-08-18
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献High-resolution model of Arabidopsis Photosystem II reveals the structural consequences of digitonin-extraction.
Sci Rep, 11, 2021
7OR2
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BU of 7or2 by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4)
分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
登録日2021-06-04
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7OSQ
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BU of 7osq by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
分子名称: 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
登録日2021-06-09
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7OS2
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BU of 7os2 by Molmil
Cryo-EM structure of Brr2 in complex with Jab1/MPN and C9ORF78
分子名称: Pre-mRNA-processing-splicing factor 8, Telomere length and silencing protein 1 homolog, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
登録日2021-06-07
公開日2022-02-23
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OS1
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BU of 7os1 by Molmil
Cryo-EM structure of Brr2 in complex with Fbp21
分子名称: U5 small nuclear ribonucleoprotein 200 kDa helicase, WW domain-binding protein 4
著者Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
登録日2021-06-07
公開日2022-02-23
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OOR
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BU of 7oor by Molmil
NaK C-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OPH
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BU of 7oph by Molmil
NaK S-DI mutant with Na+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-31
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OOU
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BU of 7oou by Molmil
NaK C-DI mutant with Li+ and K+
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-05-28
公開日2022-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
7OQ2
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BU of 7oq2 by Molmil
NaK S-DI mutant soaked in Na+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023

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件を2025-07-09に公開中

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