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6P0J
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BU of 6p0j by Molmil
Crystal structure of GDP-bound human RalA
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PHK
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BU of 6phk by Molmil
Crystal structure of glucagon analog with mono-stereoinversion at position 21 (D-Asp21) in space group I41 at 1.18 A resolution
分子名称: Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHP
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BU of 6php by Molmil
Crystal structure of glucagon analog with 4-bromo-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.65 A resolution
分子名称: Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PQ7
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BU of 6pq7 by Molmil
Structure of the iMango-III fluorescent aptamer at room temperature.
分子名称: MAGNESIUM ION, POTASSIUM ION, RNA (37-MER), ...
著者Trachman III, R.J, Ferre-D'Amare, A.R.
登録日2019-07-08
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Co-crystal structure of the iMango-III fluorescent RNA aptamer using an X-ray free-electron laser.
Acta Crystallogr.,Sect.F, 75, 2019
8F6U
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BU of 8f6u by Molmil
Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH113
著者Simard, A.R, Taher, N.M, Mishra, A.K, Madden, D.R.
登録日2022-11-17
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8F6V
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BU of 8f6v by Molmil
Crystal Structure of Nanobody VHH108 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH108
著者Simard, A.R, Madden, D.R.
登録日2022-11-17
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8TSZ
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BU of 8tsz by Molmil
Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TSY
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BU of 8tsy by Molmil
Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TT4
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BU of 8tt4 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=6.0
分子名称: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TT0
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BU of 8tt0 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=4.2
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TT5
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BU of 8tt5 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=8.3
分子名称: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TT2
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BU of 8tt2 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=5.4
分子名称: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TSU
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BU of 8tsu by Molmil
Pseudomonas fluorescens G150T-1 isocyanide hydratase at 274 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-11
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TSX
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BU of 8tsx by Molmil
Pseudomonas fluorescens G150T isocyanide hydratase at 100 K
分子名称: CHLORIDE ION, Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8TT1
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BU of 8tt1 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=5.0
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
登録日2023-08-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
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
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
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
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
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
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
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

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