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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
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:2021-01-20
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
8RUU
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BU of 8ruu by Molmil
Fabs derived from bimekizumab in complex with IL-17F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ...
Authors:Adams, R, Lawson, A.D.G.
Deposit date:2024-01-31
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition
J Invest Dermatol., 2024
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
7OS2
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BU of 7os2 by Molmil
Cryo-EM structure of Brr2 in complex with Jab1/MPN and C9ORF78
Descriptor: Pre-mRNA-processing-splicing factor 8, Telomere length and silencing protein 1 homolog, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
Deposit date:2021-06-07
Release date:2022-02-23
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
7OS1
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BU of 7os1 by Molmil
Cryo-EM structure of Brr2 in complex with Fbp21
Descriptor: U5 small nuclear ribonucleoprotein 200 kDa helicase, WW domain-binding protein 4
Authors:Bergfort, A, Hilal, T, Weber, G, Wahl, M.C.
Deposit date:2021-06-07
Release date:2022-02-23
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The intrinsically disordered TSSC4 protein acts as a helicase inhibitor, placeholder and multi-interaction coordinator during snRNP assembly and recycling.
Nucleic Acids Res., 50, 2022
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:2023-02-08
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
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
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
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
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
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
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
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+
To Be Published
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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ...
Authors:Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
Deposit date:2023-10-13
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Binding dynamics of a stapled peptide targeting the transcription factor NF-Y.
Chembiochem, 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
8QZO
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BU of 8qzo by Molmil
Crystal structure of heterodimeric complex of CdpB1 and CdpB2 from A. fulgidus
Descriptor: PRC-barrel domain-containing protein
Authors:Ciziene, D, Bellini, D, Lowe, J.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Proteins containing photosynthetic reaction centre domains modulate FtsZ-based archaeal cell division.
Nat Microbiol, 9, 2024
8RIV
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BU of 8riv by Molmil
T2R-TTL-1-K08 complex
Descriptor: (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P.
Deposit date:2023-12-19
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8SBH
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BU of 8sbh by Molmil
YeiE effector binding domain from E. coli
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E.
Deposit date:2023-04-03
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
8RIW
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BU of 8riw by Molmil
T2R-TTL-1-L01 complex
Descriptor: (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E.
Deposit date:2023-12-19
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8TIW
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BU of 8tiw by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with blunt ends and 3' terminal phosphates and crosslinked with EDC.
Descriptor: DNA (5'-D(*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3', DNA (5'-D(*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIU
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BU of 8tiu by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 2 sticky base overhangs and 3' terminal phosphates.
Descriptor: DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3')|, DNA (5'-D(GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published

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