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4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Yan, X.E, Yun, C.H.
Deposit date:2015-05-13
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
1A5J
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BU of 1a5j by Molmil
CHICKEN B-MYB DNA BINDING DOMAIN, REPEAT 2 AND REPEAT3, NMR, 32 STRUCTURES
Descriptor: B-MYB
Authors:Mcintosh, P.B, Carr, M.D, Wollborn, U, Frenkiel, T.A, Feeney, J, Mccormick, J.E, Klempnauer, K.H.
Deposit date:1998-02-16
Release date:1998-07-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the B-Myb DNA-binding domain: a possible role for conformational instability of the protein in DNA binding and control of gene expression.
Biochemistry, 37, 1998
1AAB
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BU of 1aab by Molmil
NMR STRUCTURE OF RAT HMG1 HMGA FRAGMENT
Descriptor: HIGH MOBILITY GROUP PROTEIN
Authors:Hardman, C.H, Broadhurst, R.W, Raine, A.R.C, Grasser, K.D, Thomas, J.O, Laue, E.D.
Deposit date:1995-10-28
Release date:1996-03-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the A-domain of HMG1 and its interaction with DNA as studied by heteronuclear three- and four-dimensional NMR spectroscopy.
Biochemistry, 34, 1995
6RIV
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BU of 6riv by Molmil
Crystal structure of Alopecurus myosuroides GSTF
Descriptor: GLYCEROL, Glutathione transferase, S-Hydroxy-Glutathione, ...
Authors:Papageorgiou, A.C, Poudel, N.
Deposit date:2019-04-25
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Comparative structural and functional analysis of phi class glutathione transferases involved in multiple-herbicide resistance of grass weeds and crops.
Plant Physiol Biochem., 149, 2020
4WO4
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BU of 4wo4 by Molmil
The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition.
Descriptor: (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I.
Deposit date:2014-10-15
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
2CHL
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BU of 2chl by Molmil
Structure of casein kinase 1 gamma 3
Descriptor: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CASEIN KINASE I ISOFORM GAMMA-3, SULFATE ION
Authors:Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Ugochukwu, E, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-03-15
Release date:2006-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of Casein Kinase 1 Gamma 3
To be Published
3MZI
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BU of 3mzi by Molmil
Crystallographic structure of the pseudo-Signaling State of the BLUF Photoreceptor PixD (slr1694) Y8F mutant
Descriptor: Activator of photopigment and puc expression, FLAVIN MONONUCLEOTIDE
Authors:Yuan, H, Bauer, C.E.
Deposit date:2010-05-12
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Mutational and Structural Studies of the PixD BLUF Output Signal That Affects Light-Regulated Interactions with PixE.
Biochemistry, 50, 2011
6RRX
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BU of 6rrx by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol
Descriptor: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
5KOD
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BU of 5kod by Molmil
Crystal Structure of GH3.5 Acyl Acid Amido Synthetase from Arabidopsis thaliana
Descriptor: 1H-INDOL-3-YLACETIC ACID, ADENOSINE MONOPHOSPHATE, Indole-3-acetic acid-amido synthetase GH3.5, ...
Authors:Jez, J.M, Westfall, C.S, Zubieta, C.
Deposit date:2016-06-30
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Arabidopsis thaliana GH3.5 acyl acid amido synthetase mediates metabolic crosstalk in auxin and salicylic acid homeostasis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5KK2
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BU of 5kk2 by Molmil
Architecture of fully occupied GluA2 AMPA receptor - TARP complex elucidated by single particle cryo-electron microscopy
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Zhao, Y, Chen, S, Yoshioka, C, Baconguis, I, Gouaux, E.
Deposit date:2016-06-20
Release date:2016-07-06
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Architecture of fully occupied GluA2 AMPA receptor-TARP complex elucidated by cryo-EM.
Nature, 536, 2016
1ON3
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BU of 1on3 by Molmil
Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with methylmalonyl-coenzyme a and methylmalonic acid bound)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CADMIUM ION, METHYLMALONIC ACID, ...
Authors:Hall, P.R, Wang, Y.-F, Rivera-Hainaj, R.E, Zheng, X, Pustai-Carey, M, Carey, P.R, Yee, V.C.
Deposit date:2003-02-26
Release date:2003-05-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core
Embo J., 22, 2003
6RMY
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BU of 6rmy by Molmil
Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S.
Deposit date:2019-05-07
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To Be Published
4ZVP
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BU of 4zvp by Molmil
Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to DEVD inhibitor.
Descriptor: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASA
Authors:Hill, M.E, MacPherson, D.J, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
6Y6K
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BU of 6y6k by Molmil
Cryo-EM structure of a Phenuiviridae L protein
Descriptor: MAGNESIUM ION, RNA-dependent RNA polymerase
Authors:Vogel, D, Thorkelsson, S.R, Quemin, E, Meier, K, Kouba, T, Gogrefe, N, Busch, C, Reindl, S, Guenther, S, Cusack, S, Gruenewald, K, Rosenthal, M.
Deposit date:2020-02-26
Release date:2020-04-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein.
Nucleic Acids Res., 48, 2020
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
Descriptor: Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-08-14
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
1AEL
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BU of 1ael by Molmil
NMR STRUCTURE OF APO INTESTINAL FATTY ACID-BINDING PROTEIN, 20 STRUCTURES
Descriptor: FATTY ACID-BINDING PROTEIN
Authors:Hodsdon, M.E, Cistola, D.P.
Deposit date:1996-07-30
Release date:1997-04-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Ligand binding alters the backbone mobility of intestinal fatty acid-binding protein as monitored by 15N NMR relaxation and 1H exchange.
Biochemistry, 36, 1997
7Q39
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BU of 7q39 by Molmil
Ribonucleotide Reductase R2_genomic protein from Aquifex aeolicus
Descriptor: FE (III) ION, Ribonucleoside-diphosphate reductase subunit beta
Authors:Scaletti, E, Rehling, D, Stenmark, P.
Deposit date:2021-10-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
5A76
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BU of 5a76 by Molmil
KSHV LANA (ORF73) C-terminal domain, open non-ring conformation: orthorhombic crystal form
Descriptor: MAGNESIUM ION, ORF 73
Authors:Ponnusamy, R, Mcvey, C.E.
Deposit date:2015-07-02
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Kshv But not Mhv-68 Lana Induces a Strong Bend Upon Binding to Terminal Repeat Viral DNA.
Nucleic Acids Res., 43, 2015
6RRJ
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BU of 6rrj by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with 5-(Adamantan-1yl-methoxy)-pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide
Descriptor: (2~{S},3~{R},4~{S},5~{R})-~{N}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RRU
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BU of 6rru by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (5R,6R,7S,8S)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-3-(3-phenylpropyl)imidazo[1,2-a]pyridine-6,7,8-triol
Descriptor: (5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol, Alpha-mannosidase 2, ZINC ION
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
7JTR
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BU of 7jtr by Molmil
Complex of maltose-binding protein (MBP) with single-chain Fv (scFv)
Descriptor: CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Loll, P.J.
Deposit date:2020-08-18
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A useful epitope tag derived from maltose binding protein.
Protein Sci., 30, 2021
6RZB
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BU of 6rzb by Molmil
Cryo-EM structure of mouse cytoplasmic dynein-1 microtubule binding domain bound to microtubules
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lacey, S.E, He, S, Scheres, S.H.W, Carter, A.P.
Deposit date:2019-06-13
Release date:2019-07-10
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM of dynein microtubule-binding domains shows how an axonemal dynein distorts the microtubule.
Elife, 8, 2019
8SQ9
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BU of 8sq9 by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp9 and UMPCPP, as a pre-catalytic NMPylation intermediate
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Small, G.I, Darst, S.A, Campbell, E.A.
Deposit date:2023-05-04
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain.
Mol.Cell, 83, 2023
5KSY
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BU of 5ksy by Molmil
hMiro1 C-domain GDP Complex P41212 Crystal Form
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1
Authors:Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
Deposit date:2016-07-10
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.482 Å)
Cite:Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
8SQJ
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BU of 8sqj by Molmil
SARS-CoV-2 replication-transcription complex bound to RNA-nsp9, as a noncatalytic RNA-nsp9 binding mode
Descriptor: 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Small, G.I, Darst, S.A, Campbell, E.A.
Deposit date:2023-05-04
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain.
Mol.Cell, 83, 2023

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