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7KFL
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BU of 7kfl by Molmil
Crystal structure of the cargo-binding domain from the plant class XI myosin (MyoXIk)
Descriptor: Myosin-17
Authors:Turowski, V.R, Ruiz, D.M, Nascimento, A.F.Z, Millan, C, Sammito, M.D, Juanhuix, J, Cremonesi, A.S, Uson, I, Giuseppe, P.O, Murakami, M.T.
Deposit date:2020-10-14
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the class XI myosin globular tail reveals evolutionary hallmarks for cargo recognition in plants.
Acta Crystallogr D Struct Biol, 77, 2021
8XWX
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BU of 8xwx by Molmil
Crystal structure of FIS1-BAP31 complex from human
Descriptor: B-cell receptor-associated protein 31, BETA-MERCAPTOETHANOL, Mitochondrial fission 1 protein, ...
Authors:Nguyen, M.D, Bong, S.M, Lee, B.I.
Deposit date:2024-01-17
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A crystal structure containing FIS1 and BAP31 suggests the clue for FIS1-BAP31 interaction
To Be Published
7BBM
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BU of 7bbm by Molmil
Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX
Descriptor: 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G.
Deposit date:2020-12-18
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Chemogenetic engineering of nitrobindin toward an artificial epoxygenase
Catalysis Science And Technology, 2021
4GDO
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BU of 4gdo by Molmil
Structure of a fragment of the rod domain of plectin
Descriptor: Plectin
Authors:De Pereda, J.M, Buey, R.M, Uson, I, Sammito, M.D, De Marino, I.
Deposit date:2012-08-01
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploiting tertiary structure through local folds for crystallographic phasing.
Nat.Methods, 10, 2013
6GS3
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BU of 6gs3 by Molmil
Crystal Structure of the Uperin-3.5 peptide from Uperoleia mjobergii forming cross-alpha fibril
Descriptor: POTASSIUM ION, THIOCYANATE ION, Uperin-3.5
Authors:Landau, M, Tayeb-Fligelman, E, Uson, I.
Deposit date:2018-06-13
Release date:2019-06-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The amphibian antimicrobial peptide uperin 3.5 is a cross-alpha /cross-beta chameleon functional amyloid.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BJ3
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BU of 7bj3 by Molmil
ScpA from Streptococcus pyogenes, S512A active site mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ...
Authors:Kagawa, T.F, O'Connell, M.R, Cooney, J.C.
Deposit date:2021-01-13
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enzyme kinetic and binding studies identify determinants of specificity for the immunomodulatory enzyme ScpA, a C5a inactivating bacterial protease.
Comput Struct Biotechnol J, 19, 2021
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
Descriptor: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
Deposit date:2021-02-05
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
8TJG
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BU of 8tjg by Molmil
Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, ZINC ION
Authors:Warren, G, Shuman, S.
Deposit date:2023-07-21
Release date:2024-03-06
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure and in vivo psoralen DNA crosslink repair activity of mycobacterial Nei2.
Mbio, 15, 2024
8TUA
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BU of 8tua by Molmil
Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Descriptor: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein
Authors:Cash, J.N, Tesmer, J.J.G.
Deposit date:2023-08-15
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Elife, 2024
8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-21
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8G8F
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BU of 8g8f by Molmil
Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-17
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8BHD
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BU of 8bhd by Molmil
N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure)
Descriptor: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ...
Authors:Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
8CGA
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BU of 8cga by Molmil
Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G.
Deposit date:2023-02-03
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant
To Be Published
7ZFM
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BU of 7zfm by Molmil
Engineered Protein Targeting the Zika Viral Envelope Fusion Loop
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ...
Authors:Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop
SSRN, 2022
8ERX
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BU of 8erx by Molmil
Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide
Descriptor: Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01
Authors:Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G.
Deposit date:2022-10-13
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules.
Front Immunol, 14, 2023
8EGK
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BU of 8egk by Molmil
Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120
Descriptor: AZIDE ION, All4481 protein
Authors:Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M.
Deposit date:2022-09-12
Release date:2023-05-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
Descriptor: (S)-hydroxynitrile lyase
Authors:Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
Deposit date:2022-10-19
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:to be published
To Be Published
8FSD
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BU of 8fsd by Molmil
P130R mutant of soybean SHMT8 in complex with PLP-glycine and formylTHF
Descriptor: 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ...
Authors:Beamer, L.J, Korasick, D.A.
Deposit date:2023-01-09
Release date:2023-10-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance.
Febs J., 291, 2024
9EQF
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BU of 9eqf by Molmil
Crystal structure of the L-arginine hydroxylase VioC MeHis316, bound to Fe(II), L-arginine, and succinate
Descriptor: 1,2-ETHANEDIOL, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ...
Authors:Hardy, F.J.
Deposit date:2024-03-21
Release date:2024-07-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing Ferryl Reactivity in a Nonheme Iron Oxygenase Using an Expanded Genetic Code.
Acs Catalysis, 14, 2024
9C6M
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BU of 9c6m by Molmil
Yasminevirus c12orf29, a 5' to 3' RNA ligase, K73M mutant
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, RNA ligase1
Authors:Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R.
Deposit date:2024-06-07
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation
To Be Published
9F18
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BU of 9f18 by Molmil
Crystal structure of a first-in-class antibody for alpha-1,6-fucosylated prostate-specific antigen
Descriptor: Heavy chain rabbit fab, Light chain rabbit fab
Authors:Halldorsson, S.
Deposit date:2024-04-18
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Development of a first-in-class antibody and a specific assay for alpha-1,6-fucosylated prostate-specific antigen.
Sci Rep, 14, 2024
9FTW
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BU of 9ftw by Molmil
Crystal structure of calcium-activated EndoU
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Fribourg, S, Campagne, S.
Deposit date:2024-06-25
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Basis for the Calcium-Dependent Activation of the Ribonuclease EndoU.
Res Sq, 2024
9BEL
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BU of 9bel by Molmil
Tungstate binding protein (Tungbindin) from Eubacterium limosum with five Tungstates bound
Descriptor: Molybdenum-pterin binding domain-containing protein, SULFATE ION, TUNGSTATE(VI)ION
Authors:Zhou, D, Rose, J.P, Chen, L, Wang, B.C.
Deposit date:2024-04-15
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Tungstate binding protein (Tungbindin) from Eubacterium limosum with five Tungstates bound
To Be Published
9BCM
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BU of 9bcm by Molmil
Crystal structure of the glycosyltransferase UGT95A1
Descriptor: Glycosyltransferase
Authors:Pereira, J.H, Sirirungruang, S, Shih, P.M, Adams, P.D.
Deposit date:2024-04-09
Release date:2024-08-07
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural and biochemical basis for regiospecificity of the flavonoid glycosyltransferase UGT95A1.
J.Biol.Chem., 300, 2024
9AZA
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BU of 9aza by Molmil
Crystal structure of LolTv4
Descriptor: Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
Authors:Gao, J, Hai, Y.
Deposit date:2024-03-10
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions.
J.Am.Chem.Soc., 146, 2024

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