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7PVX
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BU of 7pvx by Molmil
Crystal structure of the c-Src SH3 domain mutant E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H in complex with the synthetic peptide VSL12
分子名称: Isoform 1 of Proto-oncogene tyrosine-protein kinase Src, VSL12 peptide
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2021-10-05
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure of the c-Src SH3 domain mutants of the specificity region in complex with polyproline peptides
To be published
8RFP
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BU of 8rfp by Molmil
Low pH (5.5) nitrite-bound MSOX movie series dataset 3 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [1.83 MGy] - nitrite/NO intermediate
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
著者Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2023-12-13
公開日2024-07-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
5FQA
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BU of 5fqa by Molmil
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II
分子名称: 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ...
著者Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2015-12-08
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Use of ferrous iron by metallo-beta-lactamases.
J. Inorg. Biochem., 163, 2016
6PEA
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BU of 6pea by Molmil
High Resolution Apo Carbonic Anhydrase II
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2
著者Andring, J.T, McKenna, R.
登録日2019-06-20
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
6F0U
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BU of 6f0u by Molmil
GLIC mutant E35A
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
7L68
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BU of 7l68 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor
分子名称: CALCIUM ION, Macrophage mannose receptor 1
著者Weis, W.I, Feinberg, H.
登録日2020-12-23
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
8RFR
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BU of 8rfr by Molmil
Low pH (5.5) nitrite-bound MSOX movie series dataset 7 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [4.27 MGy] - NO/water intermediate
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ...
著者Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2023-12-13
公開日2024-07-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
6PDP
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BU of 6pdp by Molmil
Human PIM1 bound to benzothiophene inhibitor 379
分子名称: 5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide, Peptide, SULFATE ION, ...
著者Godoi, P.H.C, Sriranganadane, D, Santiago, A.S, Fala, A.M, Ramos, P.Z, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human PIM1
To Be Published
7PW2
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BU of 7pw2 by Molmil
Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E mutant
分子名称: Non-specific protein-tyrosine kinase
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2021-10-05
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
8RC9
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BU of 8rc9 by Molmil
W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Exposed to air for 2 h
分子名称: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase, ...
著者Vilela-Alves, G, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C.
登録日2023-12-06
公開日2024-07-24
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement.
Chem Sci, 15, 2024
6F1C
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BU of 6f1c by Molmil
C1rC1s complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ...
著者Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R.
登録日2017-11-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6PEX
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BU of 6pex by Molmil
An aldo keto reductase with 2-keto- L-gulonate reductase activity
分子名称: aldo keto reductase
著者Yong, J, Crystal, S, Robert, D.H, John, B.B.
登録日2019-06-21
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献An aldo-keto reductase with 2-keto-l-gulonate reductase activity functions in l-tartaric acid biosynthesis from vitamin C inVitis vinifera.
J.Biol.Chem., 294, 2019
6F8C
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BU of 6f8c by Molmil
Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with progesterone
分子名称: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2017-12-12
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone.
ACS Chem. Biol., 13, 2018
8RJ6
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BU of 8rj6 by Molmil
E. coli adenylate kinase in complex with ATP and AMP and Mg2+ as a result of enzymatic AP4A hydrolysis.
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2023-12-20
公開日2024-07-10
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Magnesium induced structural reorganization in the active site of adenylate kinase.
Sci Adv, 10, 2024
8RFX
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BU of 8rfx by Molmil
High pH (8.0) as-isolated MSOX movie series dataset 5 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [2.05 MGy]
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2023-12-13
公開日2024-07-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
6F8O
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BU of 6f8o by Molmil
AKR1B1 at 3.45 MGy radiation dose.
分子名称: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Castellvi, A, Juanhuix, J.
登録日2017-12-13
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Efficacy of aldose reductase inhibitors is affected by oxidative stress induced under X-ray irradiation.
Sci Rep, 9, 2019
5FRM
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BU of 5frm by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ...
著者Maskell, D.P, Pye, V.E, Cherepanov, P.
登録日2015-12-18
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
7PVS
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BU of 7pvs by Molmil
Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in presence of PEG 200
分子名称: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, SODIUM ION, ...
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2021-10-05
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
8RFL
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BU of 8rfl by Molmil
Low pH (5.5) nitrite-bound MSOX movie series dataset 1 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [0.61 MGy] - nitrite (start)
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ...
著者Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2023-12-13
公開日2024-07-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
6ESZ
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BU of 6esz by Molmil
Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 1)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DI(HYDROXYETHYL)ETHER, PqsB, ...
著者Witzgall, F, Blankenfeldt, W.
登録日2017-10-25
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
7PVV
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BU of 7pvv by Molmil
Crystal structure of the Abl SH3 domain G92N-Y93N-N94T-H95E mutant
分子名称: Bcr-abl1 e6a2 chimeric protein, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2021-10-05
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
8RG9
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BU of 8rg9 by Molmil
High pH (8.0) nitrite-bound MSOX movie series dataset 2 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [1.36 MGy]
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2023-12-13
公開日2024-07-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
7ZU3
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BU of 7zu3 by Molmil
Crystal Structure of Human Parechovirus 1 2A protein lacking the C-terminal oligomerisation helix
分子名称: Protein 2A
著者von Castelmur, E, Perrakis, A.
登録日2022-05-11
公開日2023-05-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Human Parechovirus 1 2A protein
To Be Published
6F90
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BU of 6f90 by Molmil
Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI)
分子名称: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Alpha-1,2-mannosidase, putative, ...
著者Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J.
登録日2017-12-13
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
8RFV
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BU of 8rfv by Molmil
High pH (8.0) as-isolated MSOX movie series dataset 1 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [0.41 MGy]
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2023-12-13
公開日2024-07-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024

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