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7U9I
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BU of 7u9i by Molmil
Co-crystal structure of human CARM1 in complex with MT556 inhibitor
Descriptor: 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
Authors:Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-03-10
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
6YCE
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BU of 6yce by Molmil
Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ...
Authors:Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
Deposit date:2020-03-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
2NXA
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BU of 2nxa by Molmil
Structure of Zn-dependent Metallo-Beta-Lactamase from Bacillus Cereus R121H, C221D Double Mutant
Descriptor: Beta-lactamase II, ZINC ION
Authors:Medrano Martin, F.J, Vila, A.J, Gonzalez, J.M.
Deposit date:2006-11-17
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The Zn2 position in metallo-beta-lactamases is critical for activity: a study on chimeric metal sites on a conserved protein scaffold.
J.Mol.Biol., 373, 2007
2OBH
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BU of 2obh by Molmil
Centrin-XPC peptide
Descriptor: CALCIUM ION, Centrin-2, DNA-repair protein complementing XP-C cells
Authors:Charbonnier, J.B.
Deposit date:2006-12-19
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural, thermodynamic, and cellular characterization of human centrin 2 interaction with xeroderma pigmentosum group C protein.
J.Mol.Biol., 373, 2007
6Q85
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BU of 6q85 by Molmil
Structure of Fucosylated D-antimicrobial peptide SB11 in complex with the Fucose-binding lectin PA-IIL at 1.990 Angstrom resolution
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2018-12-14
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
6W8K
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BU of 6w8k by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
Descriptor: 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein
Authors:Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M.
Deposit date:2020-03-20
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6HCY
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BU of 6hcy by Molmil
human STEAP4 bound to NADP, FAD, heme and Fe(III)-NTA.
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Oosterheert, W, van Bezouwen, L.S, Rodenburg, R.N.P, Forster, F, Mattevi, A, Gros, P.
Deposit date:2018-08-17
Release date:2018-10-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of human STEAP4 reveal mechanism of iron(III) reduction.
Nat Commun, 9, 2018
6ZK8
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BU of 6zk8 by Molmil
Native crystal structure of anaerobic F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution
Descriptor: Coenzyme F420H2 oxidase (FprA), DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Engilberge, S, Wagner, T, Carpentier, P, Girard, E, Shima, S.
Deposit date:2020-06-30
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Chem.Commun.(Camb.), 56, 2020
2O6F
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BU of 2o6f by Molmil
Structure of metal- free rTp34 from Treponema pallidum
Descriptor: 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ...
Authors:Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V.
Deposit date:2006-12-07
Release date:2006-12-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin.
J.Biol.Chem., 282, 2007
2O7L
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BU of 2o7l by Molmil
The open-cap conformation of GlpG
Descriptor: Protein glpG, nonyl beta-D-glucopyranoside
Authors:Ha, Y.
Deposit date:2006-12-11
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Open-cap conformation of intramembrane protease GlpG.
Proc.Natl.Acad.Sci.Usa, 104, 2007
6QE2
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BU of 6qe2 by Molmil
Crystal structure of Paleococcus ferrophilus monoacylglycerol lipase.
Descriptor: GLYCEROL, LAURYL DIMETHYLAMINE-N-OXIDE, Monoacylglycerol lipase
Authors:Labar, G, Demarez, M, Brandt, N, Wouters, J, Leherte, F.
Deposit date:2019-01-04
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7461 Å)
Cite:Structure and Dynamics of an Archeal Monoglyceride Lipase from Palaeococcus ferrophilus as Revealed by Crystallography and In Silico Analysis.
Biomolecules, 11, 2021
1T7V
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BU of 1t7v by Molmil
Zn-alpha-2-glycoprotein; baculo-ZAG PEG 200
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, ...
Authors:Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J.
Deposit date:2004-05-11
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein.
J.Struct.Biol., 148, 2004
2OJY
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BU of 2ojy by Molmil
Crystal structure of indol-3-acetaldehyde derived TTQ-amide adduct of aromatic amine dehydrogenase
Descriptor: 2-(1H-INDOL-3-YL)ACETAMIDE, Aromatic amine dehydrogenase, large subunit, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2007-01-15
Release date:2007-05-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
2NW2
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BU of 2nw2 by Molmil
Crystal structure of ELS4 TCR at 1.4A
Descriptor: ELS4 TCR alpha chain, ELS4 TCR beta chain
Authors:Tynan, F.E, Reid, H.H, Rossjohn, J.
Deposit date:2006-11-14
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
Nat.Immunol., 8, 2007
2OKM
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BU of 2okm by Molmil
Crystal structure of ACE19, the collagen binding subdomain of Enterococcus faecalis surface protein ACE
Descriptor: Collagen adhesin, SULFATE ION
Authors:Ponnuraj, K, Narayana, S.V.L.
Deposit date:2007-01-17
Release date:2008-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of ACE19, the collagen binding subdomain of Enterococus faecalis surface protein ACE
Proteins, 69, 2007
7U2J
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BU of 7u2j by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, peptidyl P-site fMAC-NH-tRNAmet, deacylated E-site tRNAgly, and chloramphenicol at 2.55A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
Deposit date:2022-02-24
Release date:2022-07-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
6Q9L
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BU of 6q9l by Molmil
HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 9 AT 1.13A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
7OI9
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BU of 7oi9 by Molmil
Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 3B
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2021-05-11
Release date:2021-09-15
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
7O1V
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BU of 7o1v by Molmil
Structure of a Minimal Photosystem I
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Nelson, N, Caspy, I, Lambrev, P.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Two-Dimensional Electronic Spectroscopy of a Minimal Photosystem I Complex Reveals the Rate of Primary Charge Separation.
J.Am.Chem.Soc., 143, 2021
7U2I
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BU of 7u2i by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, deacylated E-site tRNAgly, and chloramphenicol at 2.55A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
Deposit date:2022-02-24
Release date:2022-07-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
7OI7
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BU of 7oi7 by Molmil
Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 2
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2021-05-11
Release date:2021-09-15
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
7OIA
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BU of 7oia by Molmil
Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 3C
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2021-05-11
Release date:2021-09-15
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
7OIE
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BU of 7oie by Molmil
Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 5B
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2021-05-11
Release date:2021-09-15
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
7OIB
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BU of 7oib by Molmil
Cryo-EM structure of late human 39S mitoribosome assembly intermediates, state 3D
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Cheng, J, Berninghausen, O, Beckmann, R.
Deposit date:2021-05-11
Release date:2021-09-15
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A distinct assembly pathway of the human 39S late pre-mitoribosome.
Nat Commun, 12, 2021
6VQM
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BU of 6vqm by Molmil
Crystal Structure Analysis of human ACK1
Descriptor: 2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one, Activated CDC42 kinase 1, SULFATE ION
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2020-02-05
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Crystal Structure Analysis of human ACK1
To Be Published

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