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5L34
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BU of 5l34 by Molmil
Calculated solution structure of [D-Trp3]-Contryphan-Vc2
Descriptor: [D-Trp3]-Contryphan-Vc2
Authors:Drane, S.B, Chhabra, S, MacRaild, C.A.
Deposit date:2016-08-03
Release date:2017-03-08
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structure and activity of contryphan-Vc2: Importance of the d-amino acid residue.
Toxicon, 129, 2017
8PFK
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BU of 8pfk by Molmil
RNA structure with 1-methylpseudoridine, C2 space group
Descriptor: MAGNESIUM ION, RNA (12-mer)
Authors:Spingler, B, McAuley, K, Nievergelt, P, Thorn, A.
Deposit date:2023-06-16
Release date:2024-01-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.321 Å)
Cite:RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines.
Chemmedchem, 19, 2024
5L3X
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BU of 5l3x by Molmil
Crystal structure of negative elongation factor subcomplex NELF-AC
Descriptor: CHLORIDE ION, Negative elongation factor A, Negative elongation factor C/D
Authors:Poellmann, D, Vos, S.M, Cramer, P.
Deposit date:2016-05-24
Release date:2016-06-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Architecture and RNA binding of the human negative elongation factor.
Elife, 5, 2016
6UOM
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BU of 6uom by Molmil
Y271G DNA polymerase beta ternary complex with templating adenine and incoming r8-oxo-GTP
Descriptor: 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Smith, M.R, Freudenthal, B.D.
Deposit date:2019-10-15
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta.
J.Biol.Chem., 295, 2020
7KZ2
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BU of 7kz2 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, Y110F mutant with pyruvate bound in the active site and L-lysine bound at the allosteric site in C2221 space group
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-12-09
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS.
To Be Published
6F2F
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BU of 6f2f by Molmil
Crystal structure of Protease 1 from Pyrococcus Horikoshii co-cystallized in presence of 10 mM Tb-Xo4 and ammonium sulfate.
Descriptor: Deglycase PH1704, Dihydroxyacetone, SULFATE ION, ...
Authors:Engilberge, S, Riobe, F, Di Pietro, S, Franzetti, B, Girard, E, Dumont, E, Maury, O.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
8A9L
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BU of 8a9l by Molmil
Cryo-EM structure of alpha-synuclein filaments from Parkinson's disease and dementia with Lewy bodies
Descriptor: Alpha-synuclein, Unknown fragment
Authors:Yang, Y, Shi, Y, Schweighauser, M, Zhang, X.J, Kotecha, A, Murzin, A.G, Garringer, H.J, Cullinane, P, Saito, Y, Foroud, T, Warner, T.T, Hasegawa, K, Vidal, R, Murayama, S, Revesz, T, Ghetti, B, Hasegawa, M, Lashley, T, Scheres, H.W.S, Goedert, M.
Deposit date:2022-06-28
Release date:2022-08-31
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Structures of alpha-synuclein filaments from human brains with Lewy pathology.
Nature, 610, 2022
8PTQ
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BU of 8ptq by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5l
Descriptor: 1,2-ETHANEDIOL, Monoglyceride lipase, methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate
Authors:Butini, S, Grether, U, Benz, J, Leibrock, L, Maramai, S, Papa, A, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G.
Deposit date:2023-07-14
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
5TGM
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BU of 5tgm by Molmil
Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCA-Pro
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ...
Authors:Melnikov, S, Mailliot, J, Yusupov, M.
Deposit date:2016-09-28
Release date:2017-01-18
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular insights into protein synthesis with proline residues.
EMBO Rep., 17, 2016
8ZHP
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BU of 8zhp by Molmil
Dimer of SARS-CoV-2 S1 in complex with H18 and R1-32 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
5IPB
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BU of 5ipb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-03-09
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
6EUH
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BU of 6euh by Molmil
The GH43, Beta 1,3 Galactosidase, BT3683 with galactodeoxynojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-glucanase, CALCIUM ION
Authors:Cartmell, A, Gilbert, H.J.
Deposit date:2017-10-30
Release date:2018-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
6ART
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BU of 6art by Molmil
Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with cesium ions
Descriptor: Acetyl-CoA acetyltransferase, CESIUM ION, CHLORIDE ION, ...
Authors:Marshall, A.C, Bond, C.S, Bruning, J.B.
Deposit date:2017-08-23
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
8PM0
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BU of 8pm0 by Molmil
Influenza A/H7N9 polymerase in replicase-like conformation in pre-initiation state with Pol II pS5 CTD peptide mimic bound in site 1A/2A
Descriptor: 51-mer vRNA loop (v51_mut_S), MAGNESIUM ION, Polymerase acidic protein, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2023-06-27
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The host RNA polymerase II C-terminal domain is the anchor for replication of the influenza virus genome.
Nat Commun, 15, 2024
8PTC
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BU of 8ptc by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5d
Descriptor: 1,2-ETHANEDIOL, 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde, Monoglyceride lipase
Authors:Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G.
Deposit date:2023-07-14
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
7EXP
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BU of 7exp by Molmil
Crystal structure of zebrafish TRAP1 with AMPPNP and MitoQ
Descriptor: 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione, COBALT (II) ION, MAGNESIUM ION, ...
Authors:Lee, H, Yoon, N.G, Kang, B.H, Lee, C.
Deposit date:2021-05-28
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Mitoquinone Inactivates Mitochondrial Chaperone TRAP1 by Blocking the Client Binding Site.
J.Am.Chem.Soc., 143, 2021
5LI1
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BU of 5li1 by Molmil
Structure of a Par3-inhibitory peptide bound to PKCiota core kinase domain
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Soriano, E.V, Purkiss, A.G, McDonald, N.Q.
Deposit date:2016-07-13
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization.
Dev.Cell, 38, 2016
5IKB
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BU of 5ikb by Molmil
Crystal structure of the kainate receptor GluK4 ligand binding domain in complex with kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, GLYCEROL, Glutamate receptor ionotropic, ...
Authors:Kristensen, O, Kristensen, L.B, Frydenvang, K, Kastrup, J.S.
Deposit date:2016-03-03
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Structure of a High-Affinity Kainate Receptor: GluK4 Ligand-Binding Domain Crystallized with Kainate.
Structure, 24, 2016
5F9P
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BU of 5f9p by Molmil
Crystal structure study of anthrone oxidase-like protein
Descriptor: Anthrone oxidase-like protein, GLYCEROL
Authors:Gao, X, Wu, D, Fan, K, Liu, Z.-J.
Deposit date:2015-12-10
Release date:2016-12-14
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.078 Å)
Cite:Structure and Function of a C-C Bond Cleaving Oxygenase in Atypical Angucycline Biosynthesis
ACS Chem. Biol., 12, 2017
6AZM
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BU of 6azm by Molmil
Crystal structure of the 580 germline antibody bound to circumsporozoite protein NANP 5-mer
Descriptor: 580 germline antibody, heavy chain, light chain, ...
Authors:Scally, S.W, Bosch, A, Triller, G, Wardemann, H, Julien, J.P.
Deposit date:2017-09-11
Release date:2017-12-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Natural Parasite Exposure Induces Protective Human Anti-Malarial Antibodies.
Immunity, 47, 2017
6V6S
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BU of 6v6s by Molmil
Structure of the native human gamma-tubulin ring complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Gamma-tubulin complex component 2, ...
Authors:Wieczorek, M, Urnavicius, L, Ti, S, Molloy, K.R, Chait, B.T, Kapoor, T.M.
Deposit date:2019-12-05
Release date:2020-01-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Asymmetric Molecular Architecture of the Human gamma-Tubulin Ring Complex.
Cell, 180, 2020
8PTR
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BU of 8ptr by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r
Descriptor: (3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase
Authors:Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G.
Deposit date:2023-07-14
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
8A9S
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BU of 8a9s by Molmil
Crystal structure of Ca2+-discharged obelin in complex with coelenteramine-v
Descriptor: 3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol, DIMETHYL SULFOXIDE, Obelin, ...
Authors:Kovaleva, M.I, Natashin, P.V, Schevtsov, M.B, Eremeeva, E.V, Bukhdruker, S.S, Dmitrieva, D.A, Mishin, A.V, Vysotski, E.S, Borshchevskiy, V.I.
Deposit date:2022-06-29
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of semi-synthetic obelin-v after calcium induced bioluminescence implies coelenteramine as the main reaction product.
Sci Rep, 12, 2022
5LL2
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BU of 5ll2 by Molmil
Structure of Isoleucine 2-epimerase from Lactobacillus buchneri (apo form)
Descriptor: Isoleucine 2-epimerase
Authors:Reiser, J.-B, Awad, R, Gans, P.
Deposit date:2016-07-26
Release date:2017-04-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the substrate recognition and reaction specificity of the PLP-dependent fold-type I isoleucine 2-epimerase from Lactobacillus buchneri.
Biochimie, 137, 2017
7ATR
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BU of 7atr by Molmil
The Crystal Structure of YejA - an ABC Peptide Transporter Receptor
Descriptor: GLYCEROL, Uncharacterized protein YejA
Authors:Ackroyd, B.K, Dodson, E.J, Wilkinson, A.J, Thomas, G.T.
Deposit date:2020-10-30
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure of YejA - an ABC Peptide Transporter Receptor
To Be Published

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PDB entries from 2024-08-21

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