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4UZF
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BU of 4uzf by Molmil
R66E mutant of FAD synthetase from Corynebacterium ammoniagenes
Descriptor: PYROPHOSPHATE, RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBF, SULFATE ION
Authors:Martinez-Julvez, M, Herguedas, B, Milagros, M.
Deposit date:2014-09-05
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Quaternary Organization in a Bifunctional Prokaryotic Fad Synthetase: Involvement of an Arginine at its Adenylyltransferase Module on the Riboflavin Kinase Activity.
Biochim.Biophys.Acta, 1854, 2015
4V3H
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BU of 4v3h by Molmil
Crystal structure of CymA from Klebsiella oxytoca
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA PROTEIN, NITRATE ION
Authors:van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M.
Deposit date:2014-10-18
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
2BQP
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BU of 2bqp by Molmil
THE STRUCTURE OF THE PEA LECTIN-D-GLUCOPYRANOSE COMPLEX
Descriptor: CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEA LECTIN), ...
Authors:Ruzeinikov, S.N, Mikhailova Yu, I, Tsygannik, I.N, Pangborn, W, Duax, W, Pletnev, V.Z.
Deposit date:1998-12-08
Release date:1998-12-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure of Pea Lectin-D-Glucopyranose Complex at a 1.9 A Resolution
RUSS.J.BIOORGANIC CHEM., 23, 1997
2C4D
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BU of 2c4d by Molmil
2.6A Crystal Structure of Psathyrella velutina Lectin in Complex with N-acetylglucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PSATHYRELLA VELUTINA LECTIN PVL, ...
Authors:Cioci, G, Mitchell, E.P, Chazalet, V, Gautier, C, Oscarson, S, Debray, H, Perez, S, Imberty, A.
Deposit date:2005-10-18
Release date:2006-01-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Beta-Propeller Crystal Structure of Psathyrella Velutina Lectin: An Integrin-Like Fungal Protein Interacting with Monosaccharides and Calcium.
J.Mol.Biol., 357, 2006
4UVM
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BU of 4uvm by Molmil
In meso crystal structure of the POT family transporter PepTSo
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, GLUTATHIONE UPTAKE TRANSPORTER
Authors:Lyons, J.A, Solcan, N, Caffrey, M, Newstead, S.
Deposit date:2014-08-07
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Gating Topology of the Proton-Coupled Oligopeptide Symporters.
Structure, 23, 2015
2BVM
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BU of 2bvm by Molmil
Crystal structure of the catalytic domain of toxin B from Clostridium difficile in complex with UDP, Glc and manganese ion
Descriptor: MANGANESE (II) ION, SULFATE ION, TOXIN B, ...
Authors:Reinert, D.J, Jank, T, Aktories, K, Schulz, G.E.
Deposit date:2005-06-30
Release date:2005-08-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Basis for the Function of Clostridium Difficile Toxin B.
J.Mol.Biol., 351, 2005
6CI9
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BU of 6ci9 by Molmil
RMM microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone holo-structure
Descriptor: 1-aminopropan-2-one, 3-oxoacyl-[acyl-carrier-protein] reductase, CHLORIDE ION, ...
Authors:Mallette, E, Kimber, M.S.
Deposit date:2018-02-23
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Kinetics of the S-(+)-1-Amino-2-propanol Dehydrogenase from the RMM Microcompartment of Mycobacterium smegmatis.
Biochemistry, 57, 2018
4W93
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BU of 4w93 by Molmil
Human pancreatic alpha-amylase in complex with montbretin A
Descriptor: CALCIUM ION, CHLORIDE ION, Montbretin A, ...
Authors:Williams, L.K, Caner, S, Brayer, G.D.
Deposit date:2014-08-27
Release date:2015-07-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.352 Å)
Cite:The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.
Nat.Chem.Biol., 11, 2015
4W9A
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BU of 4w9a by Molmil
Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 2
Descriptor: Gamma-crystallin B
Authors:Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H.
Deposit date:2014-08-27
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
7AAR
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BU of 7aar by Molmil
sugar/H+ symporter STP10 in inward open conformation
Descriptor: CHLORIDE ION, Octyl Glucose Neopentyl Glycol, Sugar transport protein 10, ...
Authors:Bavnhoej, L, Paulsen, P.A, Pedersen, B.P.
Deposit date:2020-09-04
Release date:2021-08-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021
4W80
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BU of 4w80 by Molmil
Tetrameric BAP29 vDED with disulfide bonds in crystal contacts
Descriptor: B-cell receptor-associated protein 29, SULFATE ION
Authors:Quistgaard, E.M.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A disulfide polymerized protein crystal.
Chem.Commun.(Camb.), 50, 2014
9BNF
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BU of 9bnf by Molmil
SARS-CoV-2 spike HexaPro protein in complex with T5A trimeric antagonist
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(XVIII) chain,Processed angiotensin-converting enzyme 2, ...
Authors:Young, T.
Deposit date:2024-05-02
Release date:2025-08-27
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Development of an ultrahigh affinity, trimeric ACE2 biologic as a universal COVID antagonist
To Be Published
4UVU
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BU of 4uvu by Molmil
Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium
Descriptor: 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2014-08-08
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UR9
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BU of 4ur9 by Molmil
Structure of ligand bound glycosylhydrolase
Descriptor: 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ...
Authors:Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E.
Deposit date:2014-06-27
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase.
Angew.Chem.Int.Ed.Engl., 53, 2014
9BNE
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BU of 9bne by Molmil
SARS-CoV-2 spike HexaPro protein in complex with T3A trimeric antagonist
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(XVIII) chain,Processed angiotensin-converting enzyme 2, ...
Authors:Young, T.
Deposit date:2024-05-02
Release date:2025-08-27
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Development of an ultrahigh affinity, trimeric ACE2 biologic as a universal COVID antagonist
To Be Published
4URM
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BU of 4urm by Molmil
Crystal Structure of Staph GyraseB 24kDa in complex with Kibdelomycin
Descriptor: (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside, DNA GYRASE SUBUNIT B
Authors:Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
Deposit date:2014-06-30
Release date:2014-07-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
4UUU
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BU of 4uuu by Molmil
1.7 A resolution structure of human cystathionine beta-synthase regulatory domain (del 516-525) in complex with SAM
Descriptor: 1,2-ETHANEDIOL, CYSTATHIONINE BETA-SYNTHASE, S-ADENOSYLMETHIONINE
Authors:Kopec, J, McCorvie, T.J, Fitzpatrick, F, Strain-Damerell, C, Froese, D.S, Tallant, C, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-07-31
Release date:2014-08-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation.
J.Biol.Chem., 289, 2014
9BNG
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BU of 9bng by Molmil
SARS-CoV-2 spike HexaPro protein in complex with T18A trimeric antagonist
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(XVIII) chain,Processed angiotensin-converting enzyme 2, ...
Authors:Young, T.
Deposit date:2024-05-02
Release date:2025-08-27
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Development of an ultrahigh affinity, trimeric ACE2 biologic as a universal COVID antagonist
To Be Published
4V25
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BU of 4v25 by Molmil
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
Descriptor: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ...
Authors:Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C.
Deposit date:2014-10-06
Release date:2014-12-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
4V2K
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BU of 4v2k by Molmil
Crystal structure of the thiosulfate dehydrogenase TsdA in complex with thiosulfate
Descriptor: HEME C, THIOSULFATE, THIOSULFATE DEHYDROGENASE
Authors:Grabarczyk, D.B, Chappell, P.E, Eisel, B, Johnson, S, Lea, S.M, Berks, B.C.
Deposit date:2014-10-10
Release date:2015-02-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Mechanism of Thiosulfate Oxidation in the Soxa Family of Cysteine-Ligated Cytochromes
J.Biol.Chem., 290, 2015
4V3N
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BU of 4v3n by Molmil
Membrane bound pleurotolysin prepore (TMH2 strand lock) trapped with engineered disulphide cross-link
Descriptor: PLEUROTOLYSIN A, PLEUROTOLYSIN B
Authors:Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, Caradoc-Davies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R.
Deposit date:2014-10-20
Release date:2015-02-18
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (14 Å)
Cite:Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
4W4M
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BU of 4w4m by Molmil
Crystal structure of PrgK 19-92
Descriptor: Lipoprotein PrgK
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2014-08-15
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Modular Structure of the Inner-Membrane Ring Component PrgK Facilitates Assembly of the Type III Secretion System Basal Body.
Structure, 23, 2015
4W4T
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BU of 4w4t by Molmil
The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway
Descriptor: ACETATE ION, MxaA
Authors:Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J.
Deposit date:2014-08-15
Release date:2015-08-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols.
Chem.Biol., 22, 2015
4W4X
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BU of 4w4x by Molmil
JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
Descriptor: 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3
Authors:Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P.
Deposit date:2014-08-15
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
7AAQ
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BU of 7aaq by Molmil
sugar/H+ symporter STP10 in outward occluded conformation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ...
Authors:Bavnhoej, L, Paulsen, P.A, Pedersen, B.P.
Deposit date:2020-09-04
Release date:2021-08-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021

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