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5UBG
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BU of 5ubg by Molmil
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound Phosphoribosyl-ATP
Descriptor: ATP phosphoribosyltransferase, CHLORIDE ION, PHOSPHORIBOSYL ATP, ...
Authors:Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J.
Deposit date:2016-12-20
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
6R5P
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BU of 6r5p by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with glucose
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
7R8R
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BU of 7r8r by Molmil
Physachenolide C with Bromodomain (BRD3-BD1)
Descriptor: Bromodomain-containing protein 3, Physachenolide C
Authors:Fromme, R, Sivinski, J, Zerio, C, Gunatilaka, A.A.L, Chapman, E.
Deposit date:2021-06-27
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Physachenolide C is a Potent, Selective BET Inhibitor.
J.Med.Chem., 66, 2023
6DVC
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BU of 6dvc by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 6nt spacer
Descriptor: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2018-06-23
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
6DVU
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BU of 6dvu by Molmil
Structure of the Monoclinic-1 (Monocl-1) Crystal Form of Human Apolipoprotein C1
Descriptor: Apolipoprotein C-I
Authors:McPherson, A, Larson, S.B.
Deposit date:2018-06-25
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of human apolipoprotein C-1 in four different crystal forms.
J. Lipid Res., 60, 2019
7M8R
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BU of 7m8r by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans
Descriptor: 1,1,1-tris(fluoranyl)propan-2-one, 1,2-ETHANEDIOL, BENZOIC ACID, ...
Authors:Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D.
Deposit date:2021-03-30
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR.
Biochemistry, 60, 2021
7A9U
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BU of 7a9u by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
Descriptor: 1,2-ETHANEDIOL, 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2020-09-02
Release date:2020-10-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands.
Angew.Chem.Int.Ed.Engl., 59, 2020
7R4L
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BU of 7r4l by Molmil
Crystal structure of human mitochondrial NAD kinase
Descriptor: FE (III) ION, NAD kinase 2, mitochondrial, ...
Authors:Labesse, G, Mary, C, Gelin, M, Lionne, C.
Deposit date:2022-02-08
Release date:2022-07-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Mol.Cell, 82, 2022
8BR0
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BU of 8br0 by Molmil
ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin (residue Q3455 to L3863) in complex with 3'deoxyCTP and two manganese cations bound to Latrunculin-B-ADP-Mn-actin
Descriptor: 3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Actin, ...
Authors:Texeira-Nuns, M, Retailleau, P, Renault, L.
Deposit date:2022-11-22
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.218 Å)
Cite:Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
6ICF
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BU of 6icf by Molmil
The NZ-1 Fab complexed with the PDZ tandem fragment of A. aeolicus S2P homolog with the PA12 tag inserted between the residues 263 and 266
Descriptor: Heavy chain of antigen binding fragment, Fab of NZ-1, Light chain of antigen binding fragment, ...
Authors:Tamura, R, Oi, R, Kaneko, M.K, Kato, Y, Nogi, T.
Deposit date:2018-09-05
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4 Å)
Cite:Application of the NZ-1 Fab as a crystallization chaperone for PA tag-inserted target proteins.
Protein Sci., 28, 2019
8QA8
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BU of 8qa8 by Molmil
Crystal structure of the C-terminally truncated transcriptional repressor protein KorB from the RK2 plasmid complexed with CTP-gamma-S
Descriptor: CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, Transcriptional repressor protein KorB
Authors:McLean, T.C, Mundy, J.E.A, Lawson, D.M, Le, T.B.K.
Deposit date:2023-08-22
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the C-terminally truncated transcriptional repressor protein KorB from the RK2 plasmid complexed with CTP-gamma-S
To Be Published
7RPA
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BU of 7rpa by Molmil
X-ray crystal structure of OXA-24/40 K84D in complex with meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, BICARBONATE ION, Beta-lactamase, ...
Authors:Powers, R.A, Mitchell, J.M, June, C.M.
Deposit date:2021-08-03
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
5HO1
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BU of 5ho1 by Molmil
MamB-CTD
Descriptor: Magnetosome protein MamB, ZINC ION
Authors:Keren, N, Zarivach, R.
Deposit date:2016-01-19
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:The dual role of MamB in magnetosome membrane assembly and magnetite biomineralization.
Mol. Microbiol., 107, 2018
5HQG
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BU of 5hqg by Molmil
WD40 domain of Human E3 Ubiquitin Ligase COP1 (RFWD2)
Descriptor: E3 ubiquitin-protein ligase RFWD2
Authors:Uljon, S, Blacklow, S.C.
Deposit date:2016-01-21
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Substrate Selectivity of the E3 Ligase COP1.
Structure, 24, 2016
7R7M
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BU of 7r7m by Molmil
Crystal structure of Triosephosphate isomerase from Candidate division Katanobacteria (WWE3) bacterium
Descriptor: PHOSPHATE ION, Triosephosphate isomerase
Authors:Vickers, C.J, Patrick, W.M, Fraga, D.
Deposit date:2021-06-24
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of WweTPI - Candidate division WWE3
To Be Published
7MFL
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BU of 7mfl by Molmil
Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
6R2U
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BU of 6r2u by Molmil
Zinc-alpha2-Glycoprotein with a Fluorescent Dansyl C 11 Fatty Acid
Descriptor: 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, AZIDE ION, SULFATE ION, ...
Authors:Lau, A.M, Gor, J, Perkins, S.J, Coker, A.R, McDermott, L.C.
Deposit date:2019-03-18
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal structure of zinc-alpha 2-glycoprotein in complex with a fatty acid reveals multiple different modes of protein-lipid binding.
Biochem.J., 476, 2019
6GDQ
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BU of 6gdq by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:O'Reilly, M.
Deposit date:2018-04-24
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
7RBP
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BU of 7rbp by Molmil
Medicago truncatula D-1-piperideine-2-carboxylic acid reductase
Descriptor: Ornithine cyclodeaminase/mu-crystallin
Authors:Torrens-spence, M.P, Weng, J.K.
Deposit date:2021-07-06
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pipecolic acid pathway is conserved in systemic acquired resistance between dicotyledon and monocotyledon plants
To Be Published
5UBP
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BU of 5ubp by Molmil
TREX2 M-region
Descriptor: 26S proteasome complex subunit SEM1, Leucine permease transcriptional regulator, Nuclear mRNA export protein THP1
Authors:Stewart, M, Gordon, J.
Deposit date:2016-12-21
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Sac3 RNA-binding M-region in the Saccharomyces cerevisiae TREX-2 complex.
Nucleic Acids Res., 45, 2017
7AAU
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BU of 7aau by Molmil
Crystal structure of nitrosoglutathione reductase from Chlamydomonas reinhardtii in complex with NAD+
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D.
Deposit date:2020-09-04
Release date:2020-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020
8QZD
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BU of 8qzd by Molmil
Soluble epoxide hydrolase in complex with Epoxykinin
Descriptor: 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ...
Authors:Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-10-27
Release date:2024-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
6G84
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BU of 6g84 by Molmil
Structure of Cdc14 bound to CBK1 PxL motif
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CBK1, ...
Authors:Mouilleron, S, Kataria, M, Uhlmann, F.
Deposit date:2018-04-07
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A PxL motif promotes timely cell cycle substrate dephosphorylation by the Cdc14 phosphatase.
Nat. Struct. Mol. Biol., 25, 2018
7RP9
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BU of 7rp9 by Molmil
X-ray crystal structure of OXA-24/40 V130D in complex with imipenem
Descriptor: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, BICARBONATE ION, Beta-lactamase, ...
Authors:Powers, R.A, Mitchell, J.M, June, C.M.
Deposit date:2021-08-03
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
7ACG
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BU of 7acg by Molmil
In meso structure of the alginate exporter, AlgE, from Pseudomonas aeruginosa in 9.8 monoacylglycerol
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-(2-METHOXYETHOXY)ETHANOL, Alginate biosynthesis protein AlgE, ...
Authors:Smithers, L, van Dalsen, L, Boland, C, Caffrey, M.
Deposit date:2020-09-10
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:9.8 MAG. A new host lipid for in meso (lipid cubic phase) crystallization of integral membrane proteins
Cryst.Growth Des., 2020

224201

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