8BBI
 
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8BB8
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8BB6
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8BB0
 | | The surface-exposed lipo-protein of BtuG2 in complex with hydroxycobalamin. | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Whittaker, J, Felices Martinez, J.M, Guskov, A, Slotboom, D.J. | | Deposit date: | 2022-10-12 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The surface-exposed lipo-protein of BtuG2 in complex with hydroxycobinamide.
To Be Published
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8BAZ
 | | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. | | Descriptor: | COB(II)INAMIDE, CYANIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Whittaker, J, Martinez-Felices, J.M, Guskov, A, Slotboom, D.J. | | Deposit date: | 2022-10-12 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobinamide.
To Be Published
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8BAY
 | | Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | | Descriptor: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | | Authors: | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | | Deposit date: | 2022-10-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2.
J.Biol.Chem., 299, 2023
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8BAV
 | | Secretagogin (human) in complex with its target peptide from SNAP-25 | | Descriptor: | ACETATE ION, CALCIUM ION, Green fluorescent protein,Synaptosomal-associated protein 25, ... | | Authors: | Schnell, R, Szodorai, E. | | Deposit date: | 2022-10-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8BAP
 | | Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, eightfold mutant active on propanol syringol | | Descriptor: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Alvigini, L, Mattevi, A. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol.
Acs Catalysis, 13, 2023
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8BAO
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8BAN
 | | Secretagogin (mouse) in complex with its target peptide from SNAP-25 | | Descriptor: | CALCIUM ION, Green fluorescent protein,Synaptosomal-associated protein 25, Secretagogin | | Authors: | Schnell, R, Szodorai, E. | | Deposit date: | 2022-10-11 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8BAM
 | | Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, tenfold mutant active on propanol syringol | | Descriptor: | 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Alvigini, L, Mattevi, A. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol.
Acs Catalysis, 13, 2023
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8BAK
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8BAI
 | | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin. | | Descriptor: | CYANOCOBALAMIN, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Whittaker, J, Martinez Felices, J.M, Guskov, A, Slotboom, D.J. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | The surface-exposed lipo-protein of BtuG2 in complex with cyanocobalamin.
To Be Published
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8BAH
 | | Human Mre11-Nbs1 complex | | Descriptor: | Double-strand break repair protein MRE11, MANGANESE (II) ION, Nibrin | | Authors: | Bartho, J.D, Rotheneder, M, Stakyte, K, Lammens, K, Hopfner, K.P. | | Deposit date: | 2022-10-11 | | Release date: | 2023-01-11 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (4.13 Å) | | Cite: | Cryo-EM structure of the Mre11-Rad50-Nbs1 complex reveals the molecular mechanism of scaffolding functions.
Mol.Cell, 83, 2023
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8BAD
 | | Tpp80Aa1 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Binary toxin A-like protein, CALCIUM ION, ... | | Authors: | Best, H.L, Williamson, L.J, Rizkallah, P.J, Berry, C, Lloyd-Evans, E. | | Deposit date: | 2022-10-11 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The Crystal Structure of Bacillus thuringiensis Tpp80Aa1 and Its Interaction with Galactose-Containing Glycolipids.
Toxins, 14, 2022
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8BAB
 | | Crystal structure of JAK2 JH2-V617F in complex with CB76 | | Descriptor: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8BA3
 | | Crystal structure of JAK2 JH2 in complex with Bemcentinib | | Descriptor: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8BA2
 | | Crystal structure of JAK2 JH2-V617F in complex with Z902-A1 | | Descriptor: | 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ... | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8BA0
 | | Drosophila melanogaster complex I in the Twisted state (Dm2) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ... | | Authors: | Agip, A.N.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J. | | Deposit date: | 2022-10-10 | | Release date: | 2023-01-18 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Elife, 12, 2023
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8B9Z
 | | Drosophila melanogaster complex I in the Active state (Dm1) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Agip, A.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J. | | Deposit date: | 2022-10-10 | | Release date: | 2023-01-18 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Elife, 12, 2023
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8B9Y
 | | Cysteine Synthase from Trypanosoma cruzi with PLP and OAS | | Descriptor: | Cysteine synthase, putative, GLYCEROL, ... | | Authors: | Sowerby, K.V, Pohl, E. | | Deposit date: | 2022-10-10 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis.
Acta Crystallogr D Struct Biol, 79, 2023
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8B9W
 | | Cysteine Synthase from Trypanosoma theileri with PLP bound | | Descriptor: | CHLORIDE ION, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Sowerby, K.V, Pohl, E. | | Deposit date: | 2022-10-10 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Cysteine synthase: multiple structures of a key enzyme in cysteine synthesis and a potential drug target for Chagas disease and leishmaniasis.
Acta Crystallogr D Struct Biol, 79, 2023
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8B9T
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8B9S
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8B9P
 | | ACE2 in complex with bicyclic peptide inhibitor | | Descriptor: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-GLY-ARG-GLN-PHE-CYS-HIS-THR-LEU-MET-PRO-ARG-HIS-LEU-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | | Authors: | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | | Deposit date: | 2022-10-06 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2.
J.Med.Chem., 66, 2023
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