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6Z8Z
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BU of 6z8z by Molmil
Copper transporter OprC
Descriptor: Putative copper transport outer membrane porin OprC
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-02
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
6Z7H
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BU of 6z7h by Molmil
Structure of CTX-M-15 E166Q mutant crystallised in the presence of enmetazobactam (AAI101)
Descriptor: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-31
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
6QTU
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BU of 6qtu by Molmil
Crystal structure of Arabidopsis WD40 domain in complex with a BBX transcription factor
Descriptor: B-box zinc finger protein 24, E3 ubiquitin-protein ligase COP1, GLYCEROL, ...
Authors:Hothorn, M, Lau, K.
Deposit date:2019-02-25
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Plant photoreceptors and their signaling components compete for COP1 binding via VP peptide motifs.
Embo J., 38, 2019
6Z7I
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BU of 6z7i by Molmil
Crystal structure of CTX-M-15 E166Q mutant apoenzyme
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-05-31
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
8QVA
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BU of 8qva by Molmil
Hexameric HIV-1 CA in complex with DDD01829894
Descriptor: 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-10-17
Release date:2024-03-27
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
6Z8Q
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BU of 6z8q by Molmil
Copper transporter OprC
Descriptor: Putative copper transport outer membrane porin OprC, SILVER ION
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-02
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
6QU4
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BU of 6qu4 by Molmil
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb405
Descriptor: 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ...
Authors:McNae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2019-02-26
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
6HXK
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BU of 6hxk by Molmil
Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate
Descriptor: 1,2-ETHANEDIOL, ATP-citrate synthase, CITRATE ANION, ...
Authors:Verstraete, K, Verschueren, K.
Deposit date:2018-10-17
Release date:2019-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
6GFK
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BU of 6gfk by Molmil
delta-N METTL16 MTase domain
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase
Authors:Chen, K.M, Mendel, M, Homolka, D, McCarthy, A.A, Pillai, R.S.
Deposit date:2018-04-30
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Methylation of Structured RNA by the m6A Writer METTL16 Is Essential for Mouse Embryonic Development.
Mol. Cell, 71, 2018
6D1L
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BU of 6d1l by Molmil
Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects
Descriptor: 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T.
Deposit date:2018-04-12
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.
Eur J Med Chem, 154, 2018
6Z8R
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BU of 6z8r by Molmil
Copper transporter OprC
Descriptor: COPPER (II) ION, Putative copper transport outer membrane porin OprC
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-02
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
6ZAO
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BU of 6zao by Molmil
Isopenicillin N synthase structure in complex with Fe and IPN exposed to dioxygen.
Descriptor: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
8QH4
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BU of 8qh4 by Molmil
Crystal structure of reduced respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to oxidized 3-acetylpyridine adenine dinucleotide
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wohlwend, D, Friedrich, T.
Deposit date:2023-09-06
Release date:2024-04-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I.
Structure, 32, 2024
5V5K
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BU of 5v5k by Molmil
Crystal structure of ferritin E65R mutant from hyperthermophilic archaeon Archaeoglobus fulgidus
Descriptor: Ferritin
Authors:Roose, B.W, Pulsipher, K.W.
Deposit date:2017-03-14
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Thermophilic Ferritin 24mer Assembly and Nanoparticle Encapsulation Modulated by Interdimer Electrostatic Repulsion.
Biochemistry, 56, 2017
6Z8U
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BU of 6z8u by Molmil
Copper transporter OprC
Descriptor: Putative copper transport outer membrane porin OprC, SILVER ION
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-02
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
6HYB
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BU of 6hyb by Molmil
Zr(IV)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL)
Descriptor: Lysozyme C, POTASSIUM ION, W-Zr-cluster
Authors:Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N.
Deposit date:2018-10-19
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.964 Å)
Cite:Noncovalent Complexes Formed between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme
Eur J Inorg Chem, 2019
6GHA
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BU of 6gha by Molmil
USP15 catalytic domain structure
Descriptor: Ubiquitin carboxyl-terminal hydrolase 15,Ubiquitin carboxyl-terminal hydrolase 15, ZINC ION
Authors:Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I.
Deposit date:2018-05-06
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel.
J. Biol. Chem., 293, 2018
6D1S
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BU of 6d1s by Molmil
Crystal structure of an apo chimeric human alpha1GABAA receptor
Descriptor: chimeric alpha1GABAA receptor
Authors:Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P.
Deposit date:2018-04-12
Release date:2018-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of neurosteroid anesthetic action on GABAAreceptors.
Nat Commun, 9, 2018
8QG1
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BU of 8qg1 by Molmil
Crystal structure of oxidized respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to ADP-ribose
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, ...
Authors:Wohlwend, D, Friedrich, T.
Deposit date:2023-09-05
Release date:2024-04-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I.
Structure, 32, 2024
7MC6
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BU of 7mc6 by Molmil
Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H.
Deposit date:2021-04-01
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN.
Proc.Natl.Acad.Sci.USA, 119, 2022
5V6C
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BU of 5v6c by Molmil
Crystal Structure of the Second beta-Prism Domain of RbmC from V. cholerae
Descriptor: GLYCEROL, Hemolysin-related protein
Authors:De, S, Kaus, K, Sinclair, S, Case, B.C, Olson, R.
Deposit date:2017-03-16
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of mammalian glycan targeting by Vibrio cholerae cytolysin and biofilm proteins.
PLoS Pathog., 14, 2018
7ZRY
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BU of 7zry by Molmil
Structure of the 2a splicing variant of the full-length human LSD1 bound to CoREST (delta305)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Isoform of Lysine-specific histone demethylase 1A, REST corepressor 1
Authors:Caroli, J, Mattevi, A.
Deposit date:2022-05-06
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fine-tuned KDM1A alternative splicing regulates human cardiomyogenesis through an enzymatic-independent mechanism.
Iscience, 25, 2022
5HRQ
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BU of 5hrq by Molmil
Insulin with proline analog HzP at position B28 in the R6 state
Descriptor: CHLORIDE ION, Insulin A-Chain, Insulin B-Chain, ...
Authors:Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
Deposit date:2016-01-24
Release date:2017-01-25
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
6QUJ
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BU of 6quj by Molmil
GHK tagged GFP variant
Descriptor: COPPER (II) ION, GLYCEROL, Green fluorescent protein, ...
Authors:Huyton, T, Gorlich, D.
Deposit date:2019-02-27
Release date:2020-05-27
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 76, 2020
8QZE
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BU of 8qze by Molmil
Heme-domain BM3 variant 21B3_F87V-A328F
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, IMIDAZOLE, ...
Authors:Opperman, D.J, Ebrecht, A.C, Aschenbrenner, J.C.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Mol Catal, 557, 2024

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