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7EBX
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BU of 7ebx by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT in complex with S-adenosyl-L-homocysteine.
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, juvenile hormone acid methyltransferase
Authors:Guo, P.C, Zhang, Y.S, Zhang, L, Xu, H.Y, Xia, Q.Y.
Deposit date:2021-03-11
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural basis for juvenile hormone biosynthesis by the juvenile hormone acid methyltransferase.
J.Biol.Chem., 297, 2021
8OXV
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BU of 8oxv by Molmil
Transglutaminase 3 zymogen in complex with DH patient-derived Fab DH63-B02
Descriptor: 1,2-ETHANEDIOL, Antibody Fab fragment Heavy chain, Antibody Fab fragment light chain, ...
Authors:Heggelund, J.E, Sollid, L.M.
Deposit date:2023-05-02
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
6WCW
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BU of 6wcw by Molmil
Structure of human Rubicon RH domain in complex with GTP-bound Rab7
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7a, ...
Authors:Bhargava, H.K, Byck, J.M, Farrell, D.P, Anishchenko, I, DiMaio, F, Im, Y.J, Hurley, J.H.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for autophagy inhibition by the human Rubicon-Rab7 complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
5EUX
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BU of 5eux by Molmil
Rat prestin STAS domain in complex with thiocyanate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Prestin,Prestin, ...
Authors:Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R.
Deposit date:2015-11-19
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
5UOC
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BU of 5uoc by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
8OYL
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BU of 8oyl by Molmil
Coiled-Coil Domain of Human STIL, Q729L Mutant
Descriptor: CADMIUM ION, CHLORIDE ION, SCL-interrupting locus protein, ...
Authors:Martin, F.J.O, Shamir, M, Woolfson, D.N, Friedler, A.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Molecular Mechanism of STIL Coiled-Coil Domain Oligomerization.
Int J Mol Sci, 24, 2023
6YVE
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BU of 6yve by Molmil
Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside
Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
Authors:Drakou, C.E, Gardeli, C, Tsialtas, I, Alexopoulos, S, Mallouchos, A, Koulas, S, Tsagkarakou, A, Asimakopoulos, D, Leonidas, D.D, Psarra, A.M, Skamnaki, V.T.
Deposit date:2020-04-28
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Affinity Crystallography Reveals Binding of Pomegranate Juice Anthocyanins at the Inhibitor Site of Glycogen Phosphorylase: The Contribution of a Sugar Moiety to Potency and Its Implications to the Binding Mode.
J.Agric.Food Chem., 68, 2020
8OYP
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BU of 8oyp by Molmil
Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic
Descriptor: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Maurer, S.K, Caulton, S.G, Ward, S.J, Emsley, J, Dreveny, I.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity.
J.Biol.Chem., 299, 2023
5EVG
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BU of 5evg by Molmil
Crystal structure of a Francisella virulence factor FvfA in the orthorhombic form
Descriptor: Francisella virulence factor
Authors:Kolappan, S, Lo, K.Y, Shen, C.L.J, Guttman, J.A, Craig, L.
Deposit date:2015-11-19
Release date:2016-10-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of the conserved Francisella virulence protein FvfA.
Acta Crystallogr D Struct Biol, 73, 2017
5LRN
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BU of 5lrn by Molmil
Structure of mono-zinc MCR-1 in P21 space group
Descriptor: GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Hinchliffe, P, Paterson, N.G, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
5LNX
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BU of 5lnx by Molmil
Crystal structure of MmgC, an acyl-CoA dehydrogenase from bacillus subtilis.
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
Authors:Baker, G.E, Race, P.R.
Deposit date:2016-08-07
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of acyl-CoA dehydrogenase (MmgC) from bacillus subtilis.
To Be Published
6YX0
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BU of 6yx0 by Molmil
Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid
Descriptor: 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid, PWQ-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1
Authors:Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J.
Deposit date:2020-04-30
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
5EW5
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BU of 5ew5 by Molmil
Crystal Structure of Colicin E9 In Complex with Its Immunity Protein Im9
Descriptor: Colicin-E9, Colicin-E9 immunity protein
Authors:Klein, A, Wojdyla, J.A, Kleanthous, C.
Deposit date:2015-11-20
Release date:2016-07-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and biophysical analysis of nuclease protein antibiotics.
Biochem.J., 473, 2016
7EC0
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BU of 7ec0 by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT in complex with S-Adenosyl homocysteine and methyl farnesoate
Descriptor: Juvenile hormone acid methyltransferase, Methyl farnesoate, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Guo, P.C, Zhang, Y.S, Zhang, L, Xu, H.Y, Xia, Q.Y.
Deposit date:2021-03-11
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Structural basis for juvenile hormone biosynthesis by the juvenile hormone acid methyltransferase.
J.Biol.Chem., 297, 2021
8ONF
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BU of 8onf by Molmil
Crystal structure of Bdellovibrio bacteriovorus Bd2439 fibre C-terminal domains with ethylene glycol
Descriptor: 1,2-ETHANEDIOL, Cell wall surface anchor family protein
Authors:Caulton, S.G, Lovering, A.L.
Deposit date:2023-04-02
Release date:2023-10-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts.
Nat Microbiol, 9, 2024
5GIM
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BU of 5gim by Molmil
Crystal structure of thrombin-avathrin complex
Descriptor: C-terminal peptide from Putative uncharacterized protein avahiru, N-terminal peptide from Putative uncharacterized protein avahiru, Thrombin light chain, ...
Authors:Kini, R.M, Koh, C.Y, Iyer, J.K, Swaminathan, K.
Deposit date:2016-06-24
Release date:2017-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Avathrin: a novel thrombin inhibitor derived from a multicopy precursor in the salivary glands of the ixodid tick, Amblyomma variegatum.
FASEB J., 31, 2017
5LS7
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BU of 5ls7 by Molmil
Complex of wild type E. coli alpha aspartate decarboxylase with its processing factor PanZ
Descriptor: ACETYL COENZYME *A, Aspartate 1-decarboxylase, CARBON DIOXIDE, ...
Authors:Monteiro, D.C.F, Webb, M.E, Pearson, A.R.
Deposit date:2016-08-22
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:The Mechanism of Regulation of Pantothenate Biosynthesis by the PanD-PanZAcCoA Complex Reveals an Additional Mode of Action for the Antimetabolite N-Pentyl Pantothenamide (N5-Pan).
Biochemistry, 56, 2017
5UPD
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BU of 5upd by Molmil
Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1)
Descriptor: Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ...
Authors:Tempel, W, Yu, W, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2017-02-02
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1)
To Be Published
8P33
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BU of 8p33 by Molmil
BB0238 from Borrelia burgdorferi
Descriptor: BB0238
Authors:Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U.
Deposit date:2023-05-16
Release date:2023-10-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
5EYL
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BU of 5eyl by Molmil
TUBULIN-BINDING DARPIN
Descriptor: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN), GLYCEROL, PHOSPHATE ION
Authors:Ahmad, S, Kossow, M, Gigant, B.
Deposit date:2015-11-25
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Destabilizing an interacting motif strengthens the association of a designed ankyrin repeat protein with tubulin.
Sci Rep, 6, 2016
7E6R
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BU of 7e6r by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.6
Descriptor: 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2021-02-23
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
6NVC
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BU of 6nvc by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6
Descriptor: ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, {(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
Authors:Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
Deposit date:2019-02-04
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6
To Be Published
5LSC
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BU of 5lsc by Molmil
The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor
Descriptor: 2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4~{H}-1,2,4-triazol-3-yl]benzoic acid, CHLORIDE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Christopeit, T, Yang, K.-W, Yang, S.-K, Leiros, H.-K.S.
Deposit date:2016-08-25
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor.
Acta Crystallogr F Struct Biol Commun, 72, 2016
8ON4
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BU of 8on4 by Molmil
Structure of the C-terminal domains of the Bdellovibrio bacteriovorus Bd1334 fibre
Descriptor: Cell wall surface anchor family protein
Authors:Caulton, S.G, Lovering, A.L.
Deposit date:2023-03-31
Release date:2023-10-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts.
Nat Microbiol, 9, 2024
5LSR
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BU of 5lsr by Molmil
Carboxysome shell protein CcmP from Synechococcus elongatus PCC 7942
Descriptor: CcmP, THIOCYANATE ION
Authors:Larsson, A.M, Hasse, D, Valegard, K, Andersson, I.
Deposit date:2016-09-05
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of beta-carboxysome shell protein CcmP: ligand binding correlates with the closed or open central pore.
J. Exp. Bot., 68, 2017

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