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8CC5
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BU of 8cc5 by Molmil
Vibrio cholerae GbpA (LPMO domain)
Descriptor: ACETATE ION, COPPER (II) ION, GlcNAc-binding protein A, ...
Authors:Montserrat-Canals, M, Sorensen, H.V, Cordara, G, Krengel, U.
Deposit date:2023-01-26
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Perdeuterated GbpA Enables Neutron Scattering Experiments of a Lytic Polysaccharide Monooxygenase.
Acs Omega, 8, 2023
8CQ6
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BU of 8cq6 by Molmil
Bifunctional cyclohexadienyl dehydratase/chorismate mutase from Duganella sacchari
Descriptor: CHLORIDE ION, SODIUM ION, chorismate mutase
Authors:Khatanbaatar, T, Cordara, G, Krengel, U.
Deposit date:2023-03-03
Release date:2023-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Novel exported fusion enzymes with chorismate mutase and cyclohexadienyl dehydratase activity: Shikimate pathway enzymes teamed up in no man's land.
J.Biol.Chem., 299, 2023
8C9E
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BU of 8c9e by Molmil
Priestia megaterium mupirocin-sensitive isoleucyl-tRNA synthetase 1 complexed with an isoleucyl-adenylate analogue
Descriptor: CHLORIDE ION, Isoleucine--tRNA ligase, LITHIUM ION, ...
Authors:Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I.
Deposit date:2023-01-21
Release date:2023-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
5J14
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BU of 5j14 by Molmil
Crystal structure of endoglycoceramidase I from Rhodococ-cus equi in complex with GM3
Descriptor: N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Putative secreted endoglycosylceramidase, ...
Authors:Chen, L.
Deposit date:2016-03-28
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.915 Å)
Cite:Structural Insights into the Broad Substrate Specificity of a Novel Endoglycoceramidase I Belonging to a New Subfamily of GH5 Glycosidases
J. Biol. Chem., 292, 2017
8CPR
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BU of 8cpr by Molmil
G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation crystallized in sodium potassium phosphate buffer
Descriptor: GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O.
Deposit date:2023-03-03
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:A G13D open-state-selective anti-KRAS antibody shows in vivo anti-cancer activity
To Be Published
6PTE
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BU of 6pte by Molmil
Crystal Structure of ILNAMITKI peptide bound to HLA-A2
Descriptor: Beta-2-microglobulin, GLYCEROL, HAUS augmin-like complex subunit 3, ...
Authors:Smith, A.R, Arbuiso, A, Keller, G.L.J, Baker, B.M.
Deposit date:2019-07-15
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structure Based Prediction of Neoantigen Immunogenicity.
Front Immunol, 10, 2019
6NKZ
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BU of 6nkz by Molmil
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma methylene dGTP
Descriptor: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*TP*(2DT))-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2019-01-07
Release date:2020-01-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
5YDB
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BU of 5ydb by Molmil
Crystal structure of the complex of type II dehydroquinate dehydratase from Acinetobacter baumannii with dehydroquinic acid at 1.76 Angstrom resolution
Descriptor: 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase, SODIUM ION
Authors:Iqbal, N, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2017-09-12
Release date:2017-09-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of the complex of type II dehydroquinate dehydratase from Acinetobacter baumannii with dehydroquinic acid at 1.76 Angstrom resolution
To Be Published
6JSC
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BU of 6jsc by Molmil
Crystal structure of the H434A variant of the C-terminal domain of HtaA from Corynebacterium glutamicum
Descriptor: Hypothetical membrane protein, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Muraki, N, Aono, S.
Deposit date:2019-04-08
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis for the heme transfer reaction in heme uptake machinery from Corynebacteria.
Chem.Commun.(Camb.), 55, 2019
6NKY
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BU of 6nky by Molmil
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CHF analogue of dGTP
Descriptor: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2019-01-07
Release date:2020-01-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.094 Å)
Cite:Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
6NKV
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BU of 6nkv by Molmil
Ternary complex crystal structure of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CHF analogue of dGTP
Descriptor: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2019-01-07
Release date:2020-01-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
6NAX
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BU of 6nax by Molmil
Olfactomedin domain of mouse myocilin
Descriptor: CALCIUM ION, GLYCEROL, Myocilin, ...
Authors:Patterson-Orazem, A.C, Hill, S.E, Lieberman, R.L.
Deposit date:2018-12-06
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Differential Misfolding Properties of Glaucoma-Associated Olfactomedin Domains from Humans and Mice.
Biochemistry, 58, 2019
4R54
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BU of 4r54 by Molmil
Complex crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with 3-carboxy-ethyl-phthalic acid
Descriptor: 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Viola, R.E.
Deposit date:2014-08-20
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
6NKX
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BU of 6nkx by Molmil
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2019-01-07
Release date:2020-01-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
6NKR
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BU of 6nkr by Molmil
Ternary complex crystal structure of K289M variant of DNA polymerase Beta with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2019-01-07
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
6NKU
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BU of 6nku by Molmil
Ternary complex crystal structure of DNA polymerase Beta with "hot-spot sequence" with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2019-01-07
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
4PA4
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BU of 4pa4 by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-07
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PMO
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BU of 4pmo by Molmil
Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c, monoclinic crystal form I
Descriptor: FORMIC ACID, GLYCEROL, SODIUM ION, ...
Authors:Bellinzoni, M, Haouz, A, Shepard, W, Alzari, P.M.
Deposit date:2014-05-22
Release date:2014-10-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural studies suggest a peptidoglycan hydrolase function for the Mycobacterium tuberculosis Tat-secreted protein Rv2525c.
J.Struct.Biol., 188, 2014
6NFX
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BU of 6nfx by Molmil
MBTD1 MBT repeats
Descriptor: GLYCEROL, MBT domain-containing protein 1,Enhancer of polycomb homolog 1, SODIUM ION, ...
Authors:Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-12-21
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for EPC1-Mediated Recruitment of MBTD1 into the NuA4/TIP60 Acetyltransferase Complex.
Cell Rep, 30, 2020
5ZMJ
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BU of 5zmj by Molmil
Crystal structure of the Fab region of a neutralizing fully human antibody against GM-CSF
Descriptor: Heavy chain of a Fab fraction of human IgG, Light chain of a Fab fraction of human IgG, SODIUM ION, ...
Authors:Angkawidjaja, C, Torashima, T.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of the Fab region of a neutralizing antibody against granulocyte-macrophage colony-stimulating factor.
Acta Crystallogr.,Sect.F, 75, 2019
4TPU
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BU of 4tpu by Molmil
CRYSTAL STRUCTURE OF FERREDOXIN-DEPENDENT DISULFIDE REDUCTASE FROM METHANOSARCINA ACETIVORANS
Descriptor: BROMIDE ION, FE (III) ION, IRON/SULFUR CLUSTER, ...
Authors:Kumar, A.K, Yennawar, H.P, Yennawar, N.H, Ferry, J.G.
Deposit date:2014-06-09
Release date:2015-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.355 Å)
Cite:Structural and Biochemical Characterization of a Ferredoxin:Thioredoxin Reductase-like Enzyme from Methanosarcina acetivorans.
Biochemistry, 54, 2015
5Z96
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BU of 5z96 by Molmil
Structure of the mouse TRPC4 ion channel
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Duan, J, Li, Z, Li, J, Zhang, J.
Deposit date:2018-02-02
Release date:2018-04-18
Last modified:2018-08-29
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure of the mouse TRPC4 ion channel.
Nat Commun, 9, 2018
5ZCP
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BU of 5zcp by Molmil
azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 2 days
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T.
Deposit date:2018-02-19
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity.
J. Biol. Chem., 293, 2018
5YWV
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BU of 5ywv by Molmil
Crystal structure of TREX1 in complex with a inosine contained ssDNA
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, INOSINE CONTAINED SSDNA, ...
Authors:Hsiao, Y.Y.
Deposit date:2017-11-30
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for overhang excision and terminal unwinding of DNA duplexes by TREX1
PLoS Biol., 16, 2018
4TOF
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BU of 4tof by Molmil
1.65A resolution structure of BfrB (C89S, K96C) crystal form 1 from Pseudomonas aeruginosa
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterioferritin, POTASSIUM ION, ...
Authors:Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M.
Deposit date:2014-06-05
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015

223532

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