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6H7O
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BU of 6h7o by Molmil
ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND WEAK PARTIAL AGONIST CYANOPINDOLOL AND NANOBODY Nb6B9
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, ...
Authors:Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G.
Deposit date:2018-07-31
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis for high-affinity agonist binding in GPCRs.
Science, 364, 2019
6CGP
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BU of 6cgp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2018-02-20
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors.
Org. Lett., 20, 2018
7L4Z
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BU of 7l4z by Molmil
Structure of SARS-CoV-2 spike RBD in complex with cyclic peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-DTY-LYS-ALA-GLY-VAL-VAL-TYR-GLY-TYR-ASN-ALA-TRP-ILE-ARG-CYS-NH2, Spike protein S1
Authors:Christie, M, Mackay, J.P, Passioura, T, Payne, R.J.
Deposit date:2020-12-21
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Discovery of Cyclic Peptide Ligands to the SARS-CoV-2 Spike Protein Using mRNA Display.
Acs Cent.Sci., 7, 2021
6IVQ
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BU of 6ivq by Molmil
Crystal structure of a membrane protein S19A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6RA9
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BU of 6ra9 by Molmil
Novel structural features and post-translational modifications in eukaryotic elongation factor 1A2 from Oryctolagus cuniculus
Descriptor: Elongation factor 1-alpha 2, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Carriles, A.A, Hermoso, J, Gago, F.
Deposit date:2019-04-05
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Cues for Understanding eEF1A2 Moonlighting.
Chembiochem, 22, 2021
6IOV
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BU of 6iov by Molmil
The ligand binding domain of Mlp37 with arginine
Descriptor: ARGININE, Methyl-accepting chemotaxis (MCP) signaling domain protein
Authors:Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K.
Deposit date:2018-10-31
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Structural basis of the binding affinity of chemoreceptors Mlp24p and Mlp37p for various amino acids.
Biochem.Biophys.Res.Commun., 523, 2020
6CEU
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BU of 6ceu by Molmil
MBD3 MBD in complex with methylated, non-palindromic CpG DNA: alternative interpretation of crystallographic data
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 3, ...
Authors:Liu, K, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-12
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019
5WMX
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BU of 5wmx by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.M.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
6GYH
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BU of 6gyh by Molmil
Crystal structure of the light-driven proton pump Coccomyxa subellipsoidea Rhodopsin CsR
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Family A G protein-coupled receptor-like protein, ...
Authors:Szczepek, M, Schmidt, A, Scheerer, P.
Deposit date:2018-06-29
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of a light-gated proton channel based on the crystal structure ofCoccomyxarhodopsin.
Sci.Signal., 12, 2019
6CH4
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BU of 6ch4 by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia S376N mutant in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2018-02-21
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Plasticity of Aminoglycoside Binding to Antibiotic Kinase APH(2′′)-Ia.
Antimicrob. Agents Chemother., 62, 2018
5WO3
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BU of 5wo3 by Molmil
Chaperone Spy bound to Im7 (Im7 un-modeled)
Descriptor: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
Authors:Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
7KIL
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BU of 7kil by Molmil
Crystal structure of the mouse lipin-1 M-Lip domain with zinc
Descriptor: CHLORIDE ION, Isoform 2 of Phosphatidate phosphatase LPIN1, ZINC ION
Authors:Gu, W, Airola, M.V.
Deposit date:2020-10-23
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:The middle lipin domain adopts a membrane-binding dimeric protein fold.
Nat Commun, 12, 2021
5HUD
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BU of 5hud by Molmil
Non-covalent complex of and DAHP synthase and chorismate mutase from Corynebacterium glutamicum with bound transition state analog
Descriptor: 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, Chorismate mutase, ...
Authors:Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U.
Deposit date:2016-01-27
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
6RC0
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BU of 6rc0 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
5WOP
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BU of 5wop by Molmil
High Resolution Structure of Mutant CA09-PB2cap
Descriptor: GLYCEROL, Polymerase PB2
Authors:Constantinides, A.E, Gumpper, R.H, Severin, C, Luo, M.
Deposit date:2017-08-02
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:High-resolution structure of the Influenza A virus PB2cap binding domain illuminates the changes induced by ligand binding.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8T51
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BU of 8t51 by Molmil
Crystal structure of Fab 3.10C2 bound to TREM2
Descriptor: 3.10C2 Fab heavy chain, 3.10C2 Fab light chain, ACETATE ION, ...
Authors:Hsu, P.L, Wallweber, H.
Deposit date:2023-06-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining
To Be Published
5HYM
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BU of 5hym by Molmil
3-Hydroxybenzoate 6-hydroxylase from Rhodococcus jostii in complex with phosphatidylinositol
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Phosphatidylinositol, ...
Authors:Orru, R, Montersino, S, Mattevi, A, van Berkel, W.J.H.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Hydroxybenzoate 6-Hydroxylase from Rhodococcus jostii RHA1 Contains a Phosphatidylinositol Cofactor.
Front Microbiol, 8, 2017
6RCL
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BU of 6rcl by Molmil
Crystal structure of REXO2-D199A-AA
Descriptor: MAGNESIUM ION, Oligoribonuclease, mitochondrial, ...
Authors:Spahr, H, Nicholls, T.J, Larsson, N.G, Gustafsson, C.M.
Deposit date:2019-04-11
Release date:2019-10-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Dinucleotide Degradation by REXO2 Maintains Promoter Specificity in Mammalian Mitochondria.
Mol.Cell, 76, 2019
8C7U
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BU of 8c7u by Molmil
Transcriptional pleiotropic repressor CodY from Enterococcus faecalis in complex with Leu and a 30-bp DNA fragment encompassing two overlapping binding sites
Descriptor: DNA (29-MER), DNA (30-MER), GTP-sensing transcriptional pleiotropic repressor CodY, ...
Authors:Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2023-01-17
Release date:2023-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023
6GZW
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BU of 6gzw by Molmil
Ferric DtpA from Streptomyces lividans
Descriptor: Dye type peroxidase A, PROTOPORPHYRIN IX CONTAINING FE
Authors:Moreno Chicano, T, Worrall, J.A.R, Hough, M.A.
Deposit date:2018-07-05
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:An Aromatic Dyad Motif in Dye Decolourising Peroxidases Has Implications for Free Radical Formation and Catalysis.
Chemistry, 25, 2019
8C7O
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BU of 8c7o by Molmil
Unliganded transcriptional pleiotropic repressor CodY from Staphylococcus aureus
Descriptor: ACETATE ION, Global transcriptional regulator CodY, SULFATE ION
Authors:Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2023-01-16
Release date:2023-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023
7KIH
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BU of 7kih by Molmil
Crystal structure of the mouse lipin-1 M-Lip domain
Descriptor: Isoform 2 of Phosphatidate phosphatase LPIN1
Authors:Gu, W, Airola, M.V.
Deposit date:2020-10-23
Release date:2021-07-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.467 Å)
Cite:The middle lipin domain adopts a membrane-binding dimeric protein fold.
Nat Commun, 12, 2021
8TCS
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BU of 8tcs by Molmil
Structure of trehalose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1
Descriptor: ACETATE ION, COBALT (II) ION, Xylose isomerase-like TIM barrel domain-containing protein, ...
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-02
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
5WPJ
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BU of 5wpj by Molmil
Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to NADPH in open conformations
Descriptor: 3-hydroxy-3-methylglutaryl coenzyme A reductase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Miller, B.R, Kung, Y.
Deposit date:2017-08-04
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Features and Domain Movements Controlling Substrate Binding and Cofactor Specificity in Class II HMG-CoA Reductase.
Biochemistry, 57, 2018
6IA7
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BU of 6ia7 by Molmil
T. brucei IFT22 GTP-bound crystal structure
Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, Intraflagellar transport protein 22, ...
Authors:Wachter, S, Basquin, J, Lorentzen, E.
Deposit date:2018-11-26
Release date:2019-04-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding of IFT22 to the intraflagellar transport complex is essential for flagellum assembly.
Embo J., 38, 2019

224201

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