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6TER
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BU of 6ter by Molmil
Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A.
Deposit date:2019-11-12
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
5NPZ
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BU of 5npz by Molmil
Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting EFEDLTFLA
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Rizkallah, P.J, Tungatt, K, Sewell, A.K.
Deposit date:2017-04-19
Release date:2018-05-02
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
7BV7
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BU of 7bv7 by Molmil
INTS3 complexed with INTS6
Descriptor: Integrator complex subunit 3, Integrator complex subunit 6
Authors:Jia, Y, Bharath, S.R, Song, H.
Deposit date:2020-04-09
Release date:2021-07-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the INTS3/INTS6 complex reveals the functional importance of INTS3 dimerization in DSB repair.
Cell Discov, 7, 2021
6TJT
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BU of 6tjt by Molmil
Neuropilin2-b1 domain in a complex with the C-terminal VEGFC peptide
Descriptor: 1,2-ETHANEDIOL, Neuropilin-2, SULFATE ION, ...
Authors:Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S.
Deposit date:2019-11-26
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:NRP2-b1 domain in a complex with the C-terminal VEGFC peptide
To Be Published
5NMC
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BU of 5nmc by Molmil
Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 70 mM zinc acetate/20% v/v TFE/1.3 mM hUb
Descriptor: ACETATE ION, Polyubiquitin-C, ZINC ION
Authors:Fermani, S, Falini, G.
Deposit date:2017-04-05
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Aggregation Pathways of Native-Like Ubiquitin Promoted by Single-Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium.
Chemistry, 24, 2018
6TG7
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BU of 6tg7 by Molmil
Crystal structure of the CheY in presence of magnesium
Descriptor: Chemotaxis protein CheY, MAGNESIUM ION
Authors:Camara-Artigas, A, Salinas-Garcia, M.C, Alba-Elena, D.
Deposit date:2019-11-15
Release date:2019-12-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the CheY in presence of magnesium
To be published
5NR8
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BU of 5nr8 by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a
Descriptor: 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, Chitotriosidase-1, GLYCEROL
Authors:Podjarny, A, Fadel, F, Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-02-21
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
5NRM
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BU of 5nrm by Molmil
Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in complex with Cel5 dockerin S51I, L52N mutant
Descriptor: CALCIUM ION, DocCel5: Type I dockerin repeat domain from A. cellulolyticus family 5 endoglucanase WP_010249057 S51I, L52N mutant, ...
Authors:Bule, P, Najmudin, S, Fontes, C.M.G.A, Alves, V.D.
Deposit date:2017-04-24
Release date:2018-01-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-function analyses generate novel specificities to assemble the components of multienzyme bacterial cellulosome complexes.
J. Biol. Chem., 293, 2018
5NMX
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BU of 5nmx by Molmil
Crystal Structure of the pyrrolizidine alkaloid N-oxygenase from Zonocerus variegatus in complex with FAD and NADP+
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, MAGNESIUM ION, ...
Authors:Scheidig, A, Kubitza, C, Faust, A, Ober, D.
Deposit date:2017-04-07
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of pyrrolizidine alkaloid N-oxygenase from the grasshopper Zonocerus variegatus.
Acta Crystallogr D Struct Biol, 74, 2018
6SUK
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BU of 6suk by Molmil
Crystal structure of Neprilysin in complex with Omapatrilat.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Cozier, G.E, Acharya, K.R, Sharma, U.
Deposit date:2019-09-15
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme.
J.Med.Chem., 63, 2020
7BF2
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BU of 7bf2 by Molmil
Ca2+-Calmodulin in complex with human muscle form creatine kinase peptide in extended 1:2 binding mode
Descriptor: CALCIUM ION, Calmodulin-1, Creatine kinase M-type
Authors:Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S.
Deposit date:2020-12-31
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Calmodulin complexes with brain and muscle creatine kinase peptides.
Curr Res Struct Biol, 3, 2021
6T1F
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BU of 6t1f by Molmil
Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed to the centromeric parS site
Descriptor: Chromosome-partitioning protein ParB, DNA (5'-D(*GP*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*CP*C)-3')
Authors:Jalal, A.S.B, Pastrana, C.L, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Moreno-Herrero, F, Le, T.B.K.
Deposit date:2019-10-04
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A CTP-dependent gating mechanism enables ParB spreading on DNA.
Elife, 10, 2021
5NNR
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BU of 5nnr by Molmil
Structure of Naa15/Naa10 bound to HypK-THB
Descriptor: HypK, N-terminal acetyltransferase-like protein, Naa10
Authors:Weyer, F.A, Gumiero, A, Kopp, J, Sinning, I.
Deposit date:2017-04-10
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of HypK regulating N-terminal acetylation by the NatA complex.
Nat Commun, 8, 2017
5NOH
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BU of 5noh by Molmil
HRSV M2-1 core domain
Descriptor: Transcription elongation factor M2-1
Authors:Josts, I, Almeida Hernandez, Y, Molina, I.G, de Prat-Gay, G, Tidow, H.
Deposit date:2017-04-12
Release date:2018-01-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the Human respiratory syncytial virus M2-1RNA-binding core domain reveals a compact and cooperative folding unit.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6SUV
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BU of 6suv by Molmil
Horse cytochrome c complexed by octa-anionic calixarene
Descriptor: ACETYL GROUP, Cytochrome c, HEME C, ...
Authors:Geremia, S, Brancatelli, G.
Deposit date:2019-09-16
Release date:2020-07-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Probing the determinants of porosity in protein frameworks: co-crystals of cytochrome c and an octa-anionic calix[4]arene
Org.Biomol.Chem., 18, 2020
5NON
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BU of 5non by Molmil
Structure of truncated Norcoclaurine Synthase from Thalictrum flavum with product mimic
Descriptor: 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase
Authors:Sula, A, Lichman, B.R, Pesnot, T, Ward, J.M, Hailes, H.C, Keep, N.H.
Deposit date:2017-04-12
Release date:2017-09-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Evidence for the Dopamine-First Mechanism of Norcoclaurine Synthase.
Biochemistry, 56, 2017
7BF1
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BU of 7bf1 by Molmil
Ca2+-Calmodulin in complex with peptide from brain-type creatine kinase in extended 1:2 binding mode
Descriptor: ACETYL GROUP, CALCIUM ION, Calmodulin-1, ...
Authors:Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S.
Deposit date:2020-12-31
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Calmodulin complexes with brain and muscle creatine kinase peptides.
Curr Res Struct Biol, 3, 2021
6SJC
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BU of 6sjc by Molmil
Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)adenosine
Descriptor: 5'-O-(L-alpha-aspartylsulfamoyl)adenosine, Aspartate--tRNA(Asp) ligase
Authors:De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2019-08-13
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
7BDE
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BU of 7bde by Molmil
HUMAN BCL6 BTB-DOMAIN IN COMPLEX WITH GSK137
Descriptor: 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Somers, D.O.
Deposit date:2020-12-21
Release date:2021-07-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:GSK137, a potent small-molecule BCL6 inhibitor with in vivo activity, suppresses antibody responses in mice.
J.Biol.Chem., 297, 2021
5N9A
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BU of 5n9a by Molmil
Crystal Structure of Drosophila DHX36 helicase in complex with GTTAGGGTT
Descriptor: CG9323, isoform A, DNA (5'-D(P*GP*TP*TP*AP*GP*GP*GP*TP*T)-3')
Authors:Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G.
Deposit date:2017-02-24
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.036 Å)
Cite:Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model.
Structure, 26, 2018
7B9C
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BU of 7b9c by Molmil
Structure of a minimal SF3B core in complex with spliceostatin A (form I)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-12-14
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
7B92
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BU of 7b92 by Molmil
Structure of a minimal SF3B core in complex with sudemycin D6 (form II)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-12-14
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
6SLN
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BU of 6sln by Molmil
Structure of the RagAB peptide transporter
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Madej, M, Ranson, N.A, White, J.B.R.
Deposit date:2019-08-20
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
5NRH
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BU of 5nrh by Molmil
Crystal structure of Burkholderia pseudomallei D-alanine-D-alanine ligase in complex with AMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, D-alanine--D-alanine ligase, ...
Authors:Diaz-Saez, L, Hunter, W.N.
Deposit date:2017-04-23
Release date:2018-05-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Burkholderia pseudomallei d-alanine-d-alanine ligase; detailed characterisation and assessment of a potential antibiotic drug target.
Febs J., 2019
5NA4
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BU of 5na4 by Molmil
NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - E172S mutant
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH dehydrogenase-like protein SAOUHSC_00878
Authors:Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M.
Deposit date:2017-02-27
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017

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