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5TKI
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BU of 5tki by Molmil
Neurospora crassa polysaccharide monooxygenase 2 resting state joint X-ray/neutron refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase
Authors:O'Dell, W.B, Meilleur, F.
Deposit date:2016-10-06
Release date:2017-05-17
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
Cite:Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NEL
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BU of 5nel by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with ThiametG
Descriptor: (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Andreou, A, Giastas, P, Eliopoulos, E.E.
Deposit date:2017-03-10
Release date:2018-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.734 Å)
Cite:Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
6AMP
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BU of 6amp by Molmil
Crystal structure of H172A PHM (CuH absent, CuM present)
Descriptor: COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
Authors:Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M.
Deposit date:2017-08-10
Release date:2018-07-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
8BH3
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BU of 8bh3 by Molmil
DNA-PK Ku80 mediated dimer bound to PAXX
Descriptor: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-10-28
Release date:2023-06-07
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
5T7J
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BU of 5t7j by Molmil
X-ray crystal structure of AA13 LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION
Authors:Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L.
Deposit date:2016-09-05
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder.
Acta Crystallogr D Struct Biol, 73, 2017
8BTK
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BU of 8btk by Molmil
Structure of the TRAP complex with the Sec translocon and a translating ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Jaskolowski, M, Jomaa, A, Gamerdinger, M, Shrestha, S, Leibundgut, M, Deuerling, E, Ban, N.
Deposit date:2022-11-29
Release date:2023-05-24
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis of the TRAP complex function in ER protein biogenesis.
Nat.Struct.Mol.Biol., 30, 2023
6AOO
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BU of 6aoo by Molmil
2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae
Descriptor: Malate dehydrogenase, SULFATE ION
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-08-16
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:2.15 Angstrom Resolution Crystal Structure of Malate Dehydrogenase from Haemophilus influenzae.
To Be Published
8B5R
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BU of 8b5r by Molmil
p97-p37-SPI substrate complex
Descriptor: I3 sequence being threaded through the p97 channel, Protein phosphatase 1 regulatory subunit 7, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit, ...
Authors:van den Boom, J, Marini, G, Meyer, H, Saibil, H.
Deposit date:2022-09-24
Release date:2023-06-07
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structural basis of ubiquitin-independent PP1 complex disassembly by p97.
Embo J., 42, 2023
6AP6
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BU of 6ap6 by Molmil
Crystal Structure of DAD2 in complex with tolfenamic acid
Descriptor: 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, Probable strigolactone esterase DAD2
Authors:Hamiaux, C.
Deposit date:2017-08-17
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition of strigolactone receptors byN-phenylanthranilic acid derivatives: Structural and functional insights.
J. Biol. Chem., 293, 2018
8BVH
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BU of 8bvh by Molmil
Cryo-EM structure of the Hfq-Crc-amiE translation repression assembly.
Descriptor: Catabolite repression control protein, RNA-binding protein Hfq, amiE
Authors:Dendooven, T, Luisi, B.F.
Deposit date:2022-12-03
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Translational regulation by Hfq-Crc assemblies emerges from polymorphic ribonucleoprotein folding.
Embo J., 42, 2023
8EKO
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BU of 8eko by Molmil
Sperm whale myoglobin mutant L29H F33W F43H (F33W CuBMb)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ledray, A.P, Dwaraknath, S, Lu, Y.
Deposit date:2022-09-21
Release date:2022-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Tryptophan Can Promote Oxygen Reduction to Water in a Biosynthetic Model of Heme Copper Oxidases.
Biochemistry, 62, 2023
8BW9
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BU of 8bw9 by Molmil
Cryo-EM structure of the RAF activating complex KSR-MEK-CNK-HYP
Descriptor: Connector enhancer of KSR protein CNK, Dual specificity mitogen-activated protein kinase kinase dSOR1, KSR, ...
Authors:Maisonneuve, P, Fronzes, R, Sicheri, F.
Deposit date:2022-12-06
Release date:2024-02-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:The CNK-HYP scaffolding complex promotes RAF activation by enhancing KSR-MEK interaction.
Nat.Struct.Mol.Biol., 2024
8EW3
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BU of 8ew3 by Molmil
Cryo EM structure of Vibrio cholerae NQR
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit A, ...
Authors:Fuller, J.R, Juarez, O.
Deposit date:2022-10-21
Release date:2022-11-16
Method:ELECTRON MICROSCOPY (2.65159 Å)
Cite:Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR
To Be Published
5TNU
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BU of 5tnu by Molmil
S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution
Descriptor: CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ...
Authors:DuPrez, K.T, Hilario, E, Wang, I, Fan, L.
Deposit date:2016-10-14
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA.
Anal.Chem., 90, 2018
8BW8
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BU of 8bw8 by Molmil
Crystal structure of the dCNK-SAM-CRIC-PDZ/dHYP-SAM complex
Descriptor: Connector enhancer of KSR protein CNK, GLYCEROL, Protein aveugle
Authors:Maisonneuve, P, Kurinov, I, Sicheri, F.
Deposit date:2022-12-06
Release date:2024-02-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The CNK-HYP scaffolding complex promotes RAF activation by enhancing KSR-MEK interaction.
Nat.Struct.Mol.Biol., 2024
8P7K
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BU of 8p7k by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
Descriptor: (2~{R})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ...
Authors:Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
Deposit date:2023-05-30
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
5DJ3
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BU of 5dj3 by Molmil
Structure of the PLP-Dependent L-Arginine Hydroxylase MppP with D-Arginine Bound
Descriptor: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, MAGNESIUM ION, PLP-Dependent L-Arginine Hydroxylase MppP
Authors:Silvaggi, N.R, Han, L.
Deposit date:2015-09-01
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:Streptomyces wadayamensis MppP Is a Pyridoxal 5'-Phosphate-Dependent l-Arginine alpha-Deaminase, gamma-Hydroxylase in the Enduracididine Biosynthetic Pathway.
Biochemistry, 54, 2015
8BPP
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BU of 8bpp by Molmil
crystal structure of N-ethylmaleimide reductase (nemA) from Escherichia coli
Descriptor: FLAVIN MONONUCLEOTIDE, N-ethylmaleimide reductase
Authors:Pfister, P, Tinzl, M, Erb, T.
Deposit date:2022-11-17
Release date:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Development of the Biocatalytic Reductive Aldol Reaction
To Be Published
8BBJ
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BU of 8bbj by Molmil
Secretagogin (mouse) in complex with its target peptide from Syntaxin-4
Descriptor: CACODYLATE ION, CALCIUM ION, Green fluorescent protein,Syntaxin-4, ...
Authors:Schnell, R, Szodorai, E.
Deposit date:2022-10-13
Release date:2024-04-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.65 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
5TE1
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BU of 5te1 by Molmil
C20S, C293G Mutant N-terminal Human ATP Citrate Lyase Bound to 4R-Hydroxycitrate
Descriptor: 3-C-carboxy-2-deoxy-L-threo-pentaric acid, ATP-citrate synthase, PHOSPHATE ION, ...
Authors:Hu, J, Fraser, M.E.
Deposit date:2016-09-20
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
8B4G
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BU of 8b4g by Molmil
Structure of a fungal LPMO bound to ligands
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, CHLORIDE ION, ...
Authors:Banerjee, S, Huang, Z, Brander, S, Johansen, K.S, Lo Leggio, L.
Deposit date:2022-09-20
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:Structure of a fungal LPMO bound to ligands
To Be Published
5NC6
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BU of 5nc6 by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (E)-N-hydroxy-3-(naphthalen-1-yl)prop-2-enamide
Descriptor: 1,2-ETHANEDIOL, 3-naphthalen-1-yl-~{N}-oxidanyl-propanamide, ACETATE ION, ...
Authors:Giastas, P, Andreou, A, Balomenou, S, Bouriotis, V, Eliopoulos, E.E.
Deposit date:2017-03-03
Release date:2018-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
3PMR
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BU of 3pmr by Molmil
Crystal Structure of E2 domain of Human Amyloid Precursor-Like Protein 1
Descriptor: Amyloid-like protein 1, PHOSPHATE ION
Authors:Lee, S, Xue, Y, Hu, J, Wang, Y, Liu, X, Demeler, B, Ha, Y.
Deposit date:2010-11-17
Release date:2011-06-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The E2 Domains of APP and APLP1 Share a Conserved Mode of Dimerization.
Biochemistry, 50, 2011
8BAN
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BU of 8ban by Molmil
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
8BAV
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BU of 8bav by Molmil
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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