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7V25
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BU of 7v25 by Molmil
Crystal Structure of phthalate dioxygenase in complex with phthalate
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, PHTHALIC ACID, ...
Authors:Mahto, J.K, Kumar, P.
Deposit date:2021-08-07
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
6MFN
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BU of 6mfn by Molmil
Human Argonaute2-miR-27a bound to HSUR1 target RNA
Descriptor: PHENOL, Protein argonaute-2, RNA (5'-R(P*UP*CP*UP*GP*UP*GP*AP*UP*AP*A)-3'), ...
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-09-11
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
5TEZ
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BU of 5tez by Molmil
TCR F50 recgonizing M1-HLA-A2
Descriptor: Beta-2-microglobulin, GLY-ILE-LEU-GLY-PHE-VAL-PHE-THR-LEU, HLA class I histocompatibility antigen, ...
Authors:Yang, X, Mariuzza, R.A.
Deposit date:2016-09-23
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for clonal diversity of the human T-cell response to a dominant influenza virus epitope.
J. Biol. Chem., 292, 2017
8TTV
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BU of 8ttv by Molmil
Structure of SNX27 FERM complexed with Fam21A repeat 20 (1289-1302)
Descriptor: DI(HYDROXYETHYL)ETHER, Fam21A repeat 20 peptide, Sorting nexin-27
Authors:Guo, Q, Chen, K.-E, Collins, B.M.
Deposit date:2023-08-15
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
7V28
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BU of 7v28 by Molmil
Crystal Structure of phthalate dioxygenase in complex with terephthalate
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Rieske (2Fe-2S) domain protein, ...
Authors:Mahto, J.K, Kumar, P.
Deposit date:2021-08-07
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
8TTC
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BU of 8ttc by Molmil
Structure of retromer VPS29-VPS35 (483-796) complexed with Fam21A repeat 20 (1289-1302)
Descriptor: ACETATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2023-08-13
Release date:2024-08-21
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
7M2T
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BU of 7m2t by Molmil
Crystallographic Structure of the Monoclinic Form of Satellite Tobacco Mosaic Virus
Descriptor: Coat protein, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:McPherson, A.
Deposit date:2021-03-17
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
5C45
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BU of 5c45 by Molmil
Selective Small Molecule Inhibition of the FMN Riboswitch
Descriptor: (6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2015-06-17
Release date:2015-10-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Selective small-molecule inhibition of an RNA structural element.
Nature, 526, 2015
7U9H
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BU of 7u9h by Molmil
Crystal Structure of Escherichia coli apo Pyridoxal 5'-phosphate homeostasis protein (YGGS)
Descriptor: Pyridoxal phosphate homeostasis protein, SULFATE ION
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-10
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
8QXY
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BU of 8qxy by Molmil
Xylanase from Bacillus circulans mutant E78Q bound to xylotriose
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, GLYCEROL, ...
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-10-25
Release date:2024-08-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
5G6M
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BU of 5g6m by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2016-06-18
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
8QY2
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BU of 8qy2 by Molmil
Xylanase from Bacillus circulans mutant E78Q/F125A
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase, GLYCEROL, ...
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-10-25
Release date:2024-08-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
7UAU
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BU of 7uau by Molmil
The crystal structure of the K137A mutant of E. coli YGGS in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
8TK3
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BU of 8tk3 by Molmil
HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites
Descriptor: 6-(difluoromethyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3
Authors:Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L.
Deposit date:2023-07-25
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites
To Be Published
7OUK
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BU of 7ouk by Molmil
BDM88855 inhibitor bound to the transmembrane domain of AcrB
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2021-06-12
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.
Nat Commun, 13, 2022
7UBP
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BU of 7ubp by Molmil
The crystal structure of the K36A/K137A double mutant of E. coli YGGS in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-15
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7M1H
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BU of 7m1h by Molmil
Crystal structure of LC/A-JPU-C10-JPU-D12-JPU-B8-JPU-G3-ciA-F12-ciA-D12
Descriptor: Botulinum neurotoxin A light chain, JPU-B8, JPU-C10, ...
Authors:Lam, K, Jin, R.
Deposit date:2021-03-13
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
8TQL
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BU of 8tql by Molmil
MPI54 bound to Mpro of SARS-CoV-2
Descriptor: 3C-like proteinase nsp5, benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2023-08-07
Release date:2024-08-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MPI54 bound to SARS-CoV-2 Mpro
To Be Published
7UAX
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BU of 7uax by Molmil
The crystal structure of the K36A/K38A double mutant of E. coli YGGS in complex with PLP
Descriptor: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
5C65
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BU of 5c65 by Molmil
Structure of the human glucose transporter GLUT3 / SLC2A3
Descriptor: CHOLESTEROL HEMISUCCINATE, Octyl Glucose Neopentyl Glycol, Solute carrier family 2, ...
Authors:Pike, A.C.W, Quigley, A, Chu, A, Tessitore, A, Xia, X, Mukhopadhyay, S, Wang, D, Kupinska, K, Strain-Damerell, C, Chalk, R, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2015-06-22
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the human glucose transporter GLUT3 / SLC2A3
To Be Published
6MFB
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BU of 6mfb by Molmil
Crystal structure of 3-hydroxykynurenine transaminase from Aedes aegypti
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
Authors:Maciel, L.G, Oliveira, A.A, Romao, T.P, Silva Filha, M.H.N.L, dos Anjos, J.V, Soares, T.A, Guido, R.V.C.
Deposit date:2018-09-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of 3-hydroxykynurenine transaminase from Aedes aegypti
To Be Published
5TG0
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BU of 5tg0 by Molmil
Crystal structure of the dimethylsulfoniopropionate (DMSP) lyase DddK complexed with iron and zinc
Descriptor: FE (III) ION, ZINC ION, dimethylsulfoniopropionate lyase DddK
Authors:Schnicker, N.J, Dey, M.
Deposit date:2016-09-27
Release date:2017-06-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural and Biochemical Insights into Dimethylsulfoniopropionate Cleavage by Cofactor-Bound DddK from the Prolific Marine Bacterium Pelagibacter.
Biochemistry, 56, 2017
8QXZ
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BU of 8qxz by Molmil
Xylanase from Bacillus circulans mutant E78Q/Y69A
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endo-1,4-beta-xylanase, ...
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-10-25
Release date:2024-08-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
8TQU
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BU of 8tqu by Molmil
MPI51 bound to Mpro of SARS-CoV-2
Descriptor: 3C-like proteinase nsp5, UAW247
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2023-08-08
Release date:2024-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:MPI51 bound to SARS-CoV-2 Mpro
To Be Published
5G5G
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BU of 5g5g by Molmil
Escherichia coli Periplasmic Aldehyde Oxidase
Descriptor: ACETATE ION, CHLORIDE ION, DIOXOTHIOMOLYBDENUM(VI) ION, ...
Authors:Correia, M.A.S, Otrelo-Cardoso, A.R, Romao, M.J, Santos-Silva, T.
Deposit date:2016-05-25
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Escherichia Coli Periplasmic Aldehyde Oxidoreductase is an Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes.
Acs Chem.Biol., 11, 2016

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