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6TIC
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BU of 6tic by Molmil
Structure of A. niger Fdc I327S variant in complex with benzothiophene 2 carboxylic acid
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.281 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TH0
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BU of 6th0 by Molmil
Crystal structure of Arabidopsis thaliana NAA60 in complex with acetyl-CoA
Descriptor: ACETYL COENZYME *A, Acyl-CoA N-acyltransferases (NAT) superfamily protein
Authors:Layer, D, Kopp, J, Lapouge, K, Sinning, I.
Deposit date:2019-11-18
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response.
New Phytol., 228, 2020
6TIE
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BU of 6tie by Molmil
Structure of A. niger Fdc I327S variant in complex with indol-2-carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIB
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BU of 6tib by Molmil
Structure of A. niger Fdc I327S variant in complex with 2 naphthoic acid
Descriptor: DI(HYDROXYETHYL)ETHER, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
3IPS
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BU of 3ips by Molmil
X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha
Descriptor: Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ...
Authors:Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M.
Deposit date:2009-08-18
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
6TIJ
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BU of 6tij by Molmil
Structure of A. niger Fdc WT in complex with indol-2-carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TTG
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BU of 6ttg by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with LMD62
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ...
Authors:Welin, M, Kimbung, R, Focht, D.
Deposit date:2019-12-27
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:New dual ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV active against ESKAPE pathogens.
Eur.J.Med.Chem., 213, 2021
5L9U
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BU of 5l9u by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with a cross linked Ubiquitin variant-substrate-UBE2C (UBCH10) complex representing key features of multiubiquitination
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2016-06-11
Release date:2016-09-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
6TSG
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BU of 6tsg by Molmil
Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC
Descriptor: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-12-20
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma.
J.Med.Chem., 63, 2020
6RC9
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BU of 6rc9 by Molmil
P1 Mycoplasma pneumoniae
Descriptor: Adhesin P1
Authors:Vizarraga, D, Aparicio, D, Illanes, R, Fita, I.
Deposit date:2019-04-11
Release date:2020-11-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
6R8B
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BU of 6r8b by Molmil
Escherichia coli AGPase in complex with FBP.
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase
Authors:Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
Deposit date:2019-04-01
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM
Biorxiv, 2020
7BN2
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BU of 7bn2 by Molmil
Clathrin heavy chain N-terminal domain bound to Non structured protein 3 from Eastern Equine Encephalitis Virus
Descriptor: Clathrin heavy chain 1, Non structured protein 3 from Eastern Equine Encephalitis Virus, PHOSPHATE ION, ...
Authors:Badgujar, D.C, Dobritzsch, D.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.965 Å)
Cite:Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
2VL1
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BU of 2vl1 by Molmil
Crystal structure of beta-alanine synthase from Saccharomyces kluyveri in complex with a gly-gly peptide
Descriptor: BETA-ALANINE SYNTHASE, GLYCINE, ZINC ION
Authors:Andersen, B, Lundgren, S, Dobritzsch, D, Piskur, J.
Deposit date:2008-01-07
Release date:2008-05-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Recruited Protease is Involved in Catabolism of Pyrimidines.
J.Mol.Biol., 379, 2008
7BN1
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BU of 7bn1 by Molmil
Clathrin heavy chain N-terminal domain complexed with peptide from Protein mu-NS of Reovirus type 1
Descriptor: Clathrin heavy chain 1, Protein mu-NS from Reovirus type 1, TETRAETHYLENE GLYCOL
Authors:Badgujar, D.C, Dobritzsch, D.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
7BN3
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BU of 7bn3 by Molmil
Crystal structure of C-terminal domain of PABPC1 in complex with Nucleoprotein from Human Coronavirus 229E
Descriptor: GLYCEROL, Isoform 2 of Polyadenylate-binding protein 1, Nucleoprotein from Human Coronavirus 229E, ...
Authors:Badgujar, D.C, Dobritzsch, D.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
3IPU
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BU of 3ipu by Molmil
X-ray structure of benzisoxazole urea synthetic agonist bound to the LXR-alpha
Descriptor: 4-{[methyl(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)carbamoyl]amino}benzoic acid, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ...
Authors:Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M.
Deposit date:2009-08-18
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
3I6Z
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BU of 3i6z by Molmil
3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ...
Authors:Lamba, D, Bartolucci, C.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010
7BH8
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BU of 7bh8 by Molmil
3H4-Fab HLA-E-VL9 co-complex
Descriptor: 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ...
Authors:Walters, L.C, Rozbesky, D.
Deposit date:2021-01-10
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity.
Commun Biol, 5, 2022
2X0R
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BU of 2x0r by Molmil
R207S, R292S Mutant of Malate Dehydrogenase from the Halophilic Archeon Haloarcula marismortui (HoloForm)
Descriptor: CHLORIDE ION, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Irimia, A, Ebel, C, Vellieux, F.M.D, Richard, S.B, Cosenza, L.W, Zaccai, G, Madern, D.
Deposit date:2009-12-17
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.915 Å)
Cite:The Oligomeric States of Haloarcula Marismortui Malate Dehydrogenase are Modulated by Solvent Components as Shown by Crystallographic and Biochemical Studies
J.Mol.Biol., 326, 2003
5LJM
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BU of 5ljm by Molmil
Structure of SPATA2 PUB domain
Descriptor: GLYCEROL, Spermatogenesis-associated protein 2
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
5B8I
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BU of 5b8i by Molmil
Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E.
Deposit date:2015-05-03
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
7NRU
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BU of 7nru by Molmil
Structure of a natural chimera of meningococcal factor H binding protein belonging to NL096 strain
Descriptor: Factor H binding protein variant 1-2,3.x, SULFATE ION
Authors:Veggi, D, Malito, E, Bottomley, M.J.
Deposit date:2021-03-04
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21998358 Å)
Cite:Structural characterization of a cross-protective natural chimera of factor H binding protein from meningococcal serogroup B strain NL096.
Comput Struct Biotechnol J, 20, 2022
5LPJ
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BU of 5lpj by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
Descriptor: CREB-binding protein, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
7CR2
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BU of 7cr2 by Molmil
human KCNQ2 in complex with retigabine
Descriptor: Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Authors:Li, X, Lv, D, Wang, J, Ye, S, Guo, J.
Deposit date:2020-08-12
Release date:2020-09-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
5LTL
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BU of 5ltl by Molmil
Structure of human chemokine CCL16
Descriptor: C-C motif chemokine 16, GLYCEROL, SODIUM ION
Authors:Weiergraeber, O.H, Batra-Safferling, R, Haenel, K, Willbold, D.
Deposit date:2016-09-07
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure and dynamics of human chemokine CCL16
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