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7YPP
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BU of 7ypp by Molmil
Structural basis of a superoxide dismutase from a tardigrade, Ramazzottius varieornatus strain YOKOZUNA-1.
Descriptor: CALCIUM ION, COPPER (II) ION, Superoxide dismutase [Cu-Zn], ...
Authors:Sim, K.-S, Fukuda, Y, Inoue, T.
Deposit date:2022-08-04
Release date:2023-07-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a superoxide dismutase from a tardigrade: Ramazzottius varieornatus strain YOKOZUNA-1.
Acta Crystallogr.,Sect.F, 79, 2023
6N0Y
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BU of 6n0y by Molmil
Crystal structure of Anaerolinea thermophila mevalonate 5-phosphate decarboxylase complexed with (R)-MVAPP
Descriptor: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, Diphosphomevalonate decarboxylase
Authors:Noel, J.P, Thomas, S.T, Louie, G.V.
Deposit date:2018-11-07
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate Specificity and Engineering of Mevalonate 5-Phosphate Decarboxylase.
Acs Chem.Biol., 14, 2019
8T3P
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BU of 8t3p by Molmil
Crystal structure of MonC1 (a flavin-dependent monooxygenase)
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MonCI
Authors:Wang, Q, Mathews, I.I, Kim, C.Y.
Deposit date:2023-06-07
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Triepoxide formation by a flavin-dependent monooxygenase in monensin biosynthesis.
Nat Commun, 14, 2023
7PPX
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BU of 7ppx by Molmil
ATAD2 in complex with FragLite3
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M.
Deposit date:2021-09-15
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
5UQ0
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BU of 5uq0 by Molmil
FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
Descriptor: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide, Fibroblast growth factor receptor 1
Authors:Paik, W.-K, Squire, C.J.
Deposit date:2017-02-05
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment screening diverse active sites
To Be Published
8PFE
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BU of 8pfe by Molmil
Crystal Structure of an Hexavariant of the b1 Domain of Human Neuropilin-1 in Complex with the KDKPPR Peptide
Descriptor: ACETATE ION, LYS-ASP-LYS-PRO-PRO-ARG, Neuropilin-1
Authors:Jelsch, C, Favier, F, Didierjean, C.
Deposit date:2023-06-15
Release date:2023-08-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand.
Molecules, 28, 2023
8SX1
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BU of 8sx1 by Molmil
PARP4 catalytic domain
Descriptor: Protein mono-ADP-ribosyltransferase PARP4
Authors:Frigon, L, Pascal, J.M.
Deposit date:2023-05-19
Release date:2023-11-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
7YW2
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BU of 7yw2 by Molmil
Crystal structure of tRNA 2'-phosphotransferase from Mus musculus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ...
Authors:Yang, X.Y, Liu, X.H.
Deposit date:2022-08-21
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
8PUN
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BU of 8pun by Molmil
Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12
Descriptor: 1,2-ETHANEDIOL, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, CHLORIDE ION, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2023-07-17
Release date:2023-08-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12
To Be Published
7ZC9
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BU of 7zc9 by Molmil
Human Pikachurin/EGFLAM C-terminal Laminin-G domain (LG3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pikachurin, SULFATE ION
Authors:Pantalone, S, Forneris, F.
Deposit date:2022-03-26
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179.
Sci.Signal., 16, 2023
8SX2
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BU of 8sx2 by Molmil
PARP4 catalytic domain bound to EB47
Descriptor: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Protein mono-ADP-ribosyltransferase PARP4
Authors:Frigon, L, Pascal, J.M.
Deposit date:2023-05-19
Release date:2023-11-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
5HVQ
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BU of 5hvq by Molmil
Alternative model of the MAGE-G1 NSE-1 complex
Descriptor: Melanoma-associated antigen G1, Non-structural maintenance of chromosomes element 1 homolog, ZINC ION
Authors:Newman, J.A, Cooper, C.D.O, Roos, A.K, Aitkenhead, H, Oppermann, U.C.T, Cho, H.J, Osman, R, Gileadi, O.
Deposit date:2016-01-28
Release date:2016-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
7PSF
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BU of 7psf by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7ZCB
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BU of 7zcb by Molmil
Human Pikachurin/EGFLAM N-terminal Fibronectin-III (1-2) domains
Descriptor: CHLORIDE ION, Pikachurin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Pantalone, S, Savino, S, Viti, L.V, Forneris, F.
Deposit date:2022-03-26
Release date:2023-07-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179.
Sci.Signal., 16, 2023
8VEX
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BU of 8vex by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
7YKC
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BU of 7ykc by Molmil
crystal structure of the Phenylalanine-regulated 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (ARO3) from Saccharomyces cerevisiae
Descriptor: 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase
Authors:Liu, H, Luo, Y.
Deposit date:2022-07-22
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mechanistic investigation of a D to N mutation in DAHP synthase that dictates carbon flux into the shikimate pathway in yeast.
Commun Chem, 6, 2023
7NFG
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BU of 7nfg by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7PRK
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BU of 7prk by Molmil
Factor XII Fibronectin type II (FXII FnII) domain
Descriptor: Coagulation factor XII, FORMIC ACID, ZINC ION
Authors:Kaira, B.G, Emsley, J.
Deposit date:2021-09-21
Release date:2022-10-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Factor XII Fibronectin type II (FXII FnII) domain
To Be Published
8PPZ
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BU of 8ppz by Molmil
Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-[(~{E})-2-(2-chlorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, CALCIUM ION, ...
Authors:Meyners, C, Deutscher, R.C.E, Hausch, F.
Deposit date:2023-07-10
Release date:2023-08-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Co-crystal structure of FKBP12, compound 7 and the FRB fragment of mTOR
Chemrxiv, 2023
6N4Y
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BU of 6n4y by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain with Nb43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.262 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
7NFH
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BU of 7nfh by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
8SWY
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BU of 8swy by Molmil
PARP4 ART domain bound to NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4
Authors:Frigon, L, Pascal, J.M.
Deposit date:2023-05-19
Release date:2023-11-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
8V9Q
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BU of 8v9q by Molmil
Crystal structure of mGalNAc-T1 in complex with the mucin glycopeptide Muc5AC-13, Mn2+, and UDP.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Samara, N.L, Collette, A.M.
Deposit date:2023-12-08
Release date:2024-03-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:An unusual dual sugar-binding lectin domain controls the substrate specificity of a mucin-type O-glycosyltransferase.
Sci Adv, 10, 2024
8VCN
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BU of 8vcn by Molmil
GluER mutant - W66F F269Y Q293T F68Y T36E P263L
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Jeffrey, P.D, Sorigue, D.R, Liu, Y, Hyster, T.K.
Deposit date:2023-12-14
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Asymmetric Synthesis of alpha-Chloroamides via Photoenzymatic Hydroalkylation of Olefins.
J.Am.Chem.Soc., 146, 2024
8VRS
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BU of 8vrs by Molmil
Mucin 16 peptide fused to MBP in complex with 4H11-scFv antibody
Descriptor: 4H11 scFv chain, Maltose/maltodextrin-binding periplasmic protein,Mucin-16
Authors:Lee, K, Perry, K, Yeku, O.O, Spriggs, D.R.
Deposit date:2024-01-22
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural basis for antibody recognition of the proximal MUC16 ectodomain.
J Ovarian Res, 17, 2024

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