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7OSQ
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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
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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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
7OQ1
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BU of 7oq1 by Molmil
NaK S-ELM mutant with Na+ 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2021-06-02
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 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
8OVR
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BU of 8ovr by Molmil
Clostridium perfringens chitinase CP56_3454 apo form
分子名称: Chitinase B, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), SODIUM ION, ...
著者Bloch, Y, Savvides, S.N.
登録日2023-04-26
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clostridium perfringens chitinase CP56_3454 apo form
To Be Published
8OWF
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Clostridium perfringens chitinase CP4_3455 with chitosan
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ...
著者Bloch, Y, Savvides, S.N.
登録日2023-04-27
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Clostridium perfringens chitinase CP4_3455 with chitosan
To Be Published
8OXU
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BU of 8oxu by Molmil
Crystal Structure of the Hsp90-LA1011 Complex
分子名称: ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
著者Roe, S.M, Prodromou, C.
登録日2023-05-02
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Biomolecules, 13, 2023
7PA0
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BU of 7pa0 by Molmil
NaK C-DI F92A mutant with Rb+ and K+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 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
8PHV
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BU of 8phv by Molmil
Structure of Human selenomethionylated Cdc123 bound to domain 3 of eIF2 gamma
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division cycle protein 123 homolog, Eukaryotic translation initiation factor 2 subunit 3
著者Schmitt, E, Mechulam, Y, Cardenal Peralta, C, Fagart, J, Seufert, W.
登録日2023-06-20
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Binding of human Cdc123 to eIF2 gamma.
J.Struct.Biol., 215, 2023
7PQE
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BU of 7pqe by Molmil
Structure of SidJ/CaM bound to SdeA in post-catalysis state
分子名称: CALCIUM ION, Calmodulin, Calmodulin-dependent glutamylase SidJ, ...
著者Adams, M, Bhogaraju, S.
登録日2021-09-17
公開日2021-10-06
最終更新日2021-11-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for protein glutamylation by the Legionella pseudokinase SidJ.
Nat Commun, 12, 2021
8PKU
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BU of 8pku by Molmil
Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC).
分子名称: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Braun, M.B, Bischof, L, Hartmann, M.D.
登録日2023-06-27
公開日2023-11-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8P0E
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BU of 8p0e by Molmil
Rubella virus p150 macro domain in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein p200
著者Stoll, G.A, Modis, Y.
登録日2023-05-10
公開日2024-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structure and biochemical activity of the macrodomain from rubella virus p150.
J.Virol., 98, 2024
8PKC
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BU of 8pkc by Molmil
Structure of Api m1 in complex with the AM1-4 nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM1-4 nanobody, Phospholipase A2
著者Aagaard, J.B, Gandini, R, Spillner, E, Miehe, M.
登録日2023-06-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Nanobody-based IgG formats as blocking antibodies of the major honeybee venom allergen Api m 1
To be published
7PV8
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BU of 7pv8 by Molmil
InlB392_T332E: T332E variant of Listeria monocytogenes InlB (internalin B) residues 36-392
分子名称: 1,2-ETHANEDIOL, Internalin B, POTASSIUM ION
著者Geerds, C, Niemann, H.H.
登録日2021-10-01
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
8Q6B
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BU of 8q6b by Molmil
The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding
分子名称: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
著者Flood, R.J, Crowley, P.B.
登録日2023-08-11
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Supramolecular Synthons in Protein-Ligand Frameworks.
Cryst.Growth Des., 24, 2024
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2021-09-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PJH
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BU of 7pjh by Molmil
Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8
分子名称: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
著者Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
登録日2021-08-24
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
8OT2
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BU of 8ot2 by Molmil
Structural and functional studies of geldanamycin amide synthase ShGdmF
分子名称: 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ...
著者Ewert, W, Zeilinger, C, Kirschning, A, Preller, M.
登録日2023-04-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Bothe, S, Schindelin, H.
登録日2021-10-01
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7QIV
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BU of 7qiv by Molmil
Structure of human C3b in complex with the EWE nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ...
著者Pedersen, H, Andersen, G.R.
登録日2021-12-16
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Engineering of a Complement Component C3-Binding Nanobody Improves Specificity and Adds Cofactor Activity.
Front Immunol, 13, 2022
8QZO
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BU of 8qzo by Molmil
Crystal structure of heterodimeric complex of CdpB1 and CdpB2 from A. fulgidus
分子名称: PRC-barrel domain-containing protein
著者Ciziene, D, Bellini, D, Lowe, J.
登録日2023-10-27
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Proteins containing photosynthetic reaction centre domains modulate FtsZ-based archaeal cell division.
Nat Microbiol, 9, 2024
8QU4
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NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ...
著者Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU3
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BU of 8qu3 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ...
著者Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024

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件を2024-07-10に公開中

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