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6VAQ
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BU of 6vaq by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase V394L mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
6VCN
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BU of 6vcn by Molmil
Crystal structure of E.coli RppH in complex with ppcpG
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, RNA pyrophosphohydrolase, SULFATE ION
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
5TEI
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BU of 5tei by Molmil
Structure of human ALDH1A1 with inhibitor CM039
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ...
Authors:Morgan, C.A, Hurley, T.D.
Deposit date:2016-09-21
Release date:2017-09-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of human ALDH1A1 with inhibitor CM039
To Be Published
5TF0
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BU of 5tf0 by Molmil
Crystal Structure of Glycosil Hydrolase Family 3 N-Terminal Domain Protein from Bacteroides intestinalis
Descriptor: 1,2-ETHANEDIOL, Glycosyl hydrolase family 3 N-terminal domain protein, MAGNESIUM ION
Authors:Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-09-23
Release date:2016-10-05
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.2021 Å)
Cite:Crystal Structure of Glycosil Hydrolase Family 3 N-Terminal Domain Protein from Bacteroides intestinalis
To Be Published, 2016
7JZ2
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BU of 7jz2 by Molmil
Succinate: quinone oxidoreductase SQR from E.coli K12
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Lyu, M, Su, C.-C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W.
Deposit date:2020-09-01
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
5T3F
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BU of 5t3f by Molmil
hen egg-white lysozyme soaked with selenourea for 10 min
Descriptor: Lysozyme C, selenourea
Authors:Luo, Z, Dauter, Z.
Deposit date:2016-08-25
Release date:2016-11-30
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selenourea: a convenient phasing vehicle for macromolecular X-ray crystal structures.
Sci Rep, 6, 2016
7K0Y
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BU of 7k0y by Molmil
Cryo-EM structure of activated-form DNA-PK (complex VI)
Descriptor: DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ...
Authors:Chen, X, Gellert, M, Yang, W.
Deposit date:2020-09-06
Release date:2021-01-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
5ID7
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BU of 5id7 by Molmil
Crystal structure of human serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
Descriptor: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, DI(HYDROXYETHYL)ETHER, Serum albumin, ...
Authors:Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
Deposit date:2016-02-24
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
7K2V
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BU of 7k2v by Molmil
PIKfyve/Fig4/Vac14 complex centered on PIKfyve - map2
Descriptor: 1-phosphatidylinositol 3-phosphate 5-kinase
Authors:Lees, J.A, Reinisch, K.M, Li, P.
Deposit date:2020-09-09
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Insights into Lysosomal PI(3,5)P 2 Homeostasis from a Structural-Biochemical Analysis of the PIKfyve Lipid Kinase Complex.
Mol.Cell, 80, 2020
5LV5
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BU of 5lv5 by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor LH1458
Descriptor: 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium, Protein arginine N-methyltransferase 6
Authors:Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J.
Deposit date:2016-09-12
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
5AE6
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BU of 5ae6 by Molmil
The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1) in complex with 4-thioxylobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-XYLOSIDASE, ...
Authors:Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T.
Deposit date:2015-08-26
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina
To be Published
8RT3
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BU of 8rt3 by Molmil
Hen Egg White Lysozyme Crystallized with Bioassembler in Space Microgravity Conditions
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:MacCarthy, C, Koudan, E.V, Petrov, S.V, Levin, A.A, Khesuani, Y.D, Borshchevskiy, V.
Deposit date:2024-01-25
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Hen Egg White Lysozyme Crystallized with Bioassembler in Space Microgravity Conditions
To Be Published
7ZMU
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BU of 7zmu by Molmil
14-3-3s binding to non-natural peptide 2d
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, non-natural peptide 2
Authors:Somsen, B.A, Craenmehr, F.W.B, Ottmann, C.
Deposit date:2022-04-19
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional mapping of the 14-3-3 hub protein as a guide to design 14-3-3 molecular glues.
Chem Sci, 13, 2022
5AEG
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BU of 5aeg by Molmil
A bacterial protein structure in glycoside hydrolase family 31.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-alpha-L-idopyranose, ALPHA-GLUCOSIDASE YIHQ, ...
Authors:Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D.
Deposit date:2015-08-30
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Nat.Chem.Biol., 12, 2016
7K4Y
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BU of 7k4y by Molmil
Crystal structure of Kemp Eliminase HG3.17 at 343 K
Descriptor: Endo-1,4-beta-xylanase
Authors:Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
6VCH
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BU of 6vch by Molmil
Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase in complex with 3-hydroxy-beta-apo-14'-carotenal
Descriptor: (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal, CHLORIDE ION, COBALT (II) ION, ...
Authors:Daruwalla, A, Shi, W, Kiser, P.D.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
5SVO
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BU of 5svo by Molmil
Structure of IDH2 mutant R140Q
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-08-06
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5LZV
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BU of 5lzv by Molmil
Structure of the mammalian ribosomal termination complex with accommodated eRF1(AAQ) and ABCE1.
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
Authors:Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
Deposit date:2016-10-02
Release date:2016-11-30
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
5YLZ
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BU of 5ylz by Molmil
Cryo-EM Structure of the Post-catalytic Spliceosome from Saccharomyces cerevisiae at 3.6 angstrom
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
Authors:Wan, R, Yan, C, Bai, R, Lei, J, Shi, Y.
Deposit date:2017-10-20
Release date:2018-07-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the Post-catalytic Spliceosome from Saccharomyces cerevisiae
Cell, 171, 2017
8RGQ
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BU of 8rgq by Molmil
Open Complex I from murine liver
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Vercellino, I, Sazanov, L.A.
Deposit date:2023-12-14
Release date:2024-04-24
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3 Å)
Cite:SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
7ZM8
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BU of 7zm8 by Molmil
CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (inhibited by DDM) - membrane arm
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Laube, E, Kuehlbrandt, W.
Deposit date:2022-04-19
Release date:2022-11-30
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
7K1W
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BU of 7k1w by Molmil
PIKfyve/Fig4/Vac14 complex centered on Fig4 - map3
Descriptor: Fig4 Sac homology model
Authors:Lees, J.A, Reinisch, K.M, Li, P.
Deposit date:2020-09-08
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Insights into Lysosomal PI(3,5)P 2 Homeostasis from a Structural-Biochemical Analysis of the PIKfyve Lipid Kinase Complex.
Mol.Cell, 80, 2020
6VEF
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BU of 6vef by Molmil
Cryo-EM Structure of Escherichia coli 2-oxoglutarate dehydrogenase E1 component sucA
Descriptor: 2-oxoglutarate dehydrogenase E1 component, ADENOSINE MONOPHOSPHATE, OXALOACETATE ION
Authors:Gao, H.
Deposit date:2019-12-31
Release date:2021-01-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.08 Å)
Cite:Cryo-EM Structure of Escherichia coli 2-oxoglutarate dehydrogenase E1 component sucA
To Be Published
5YNA
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BU of 5yna by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM alpha-cyclodextrin
Descriptor: ACETATE ION, CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018

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