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PDB: 89111 results

4QY6
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BU of 4qy6 by Molmil
Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
Descriptor: Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ...
Authors:Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M.
Deposit date:2014-07-23
Release date:2015-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of chimeric beta-lactamase cTEM-19m showing different conformations
To be Published
8JE4
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BU of 8je4 by Molmil
Crystal structure of LimF prenyltransferase (H239G/W273T mutant) bound with the thiodiphosphate moiety of farnesyl S-thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, TRIHYDROGEN THIODIPHOSPHATE, prenyltransferase, ...
Authors:Hamada, K, Oguni, A, Zhang, Y, Satake, M, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2023-05-15
Release date:2023-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Switching Prenyl Donor Specificities of Cyanobactin Prenyltransferases.
J.Am.Chem.Soc., 145, 2023
6E1O
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BU of 6e1o by Molmil
afTMEM16 reconstituted in nanodiscs in the presence of Ca2+ and ceramide 24:0
Descriptor: CALCIUM ION, DECANE, DODECANE, ...
Authors:Falzone, M.E, Accardi, A.
Deposit date:2018-07-10
Release date:2019-02-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structural basis of Ca2+-dependent activation and lipid transport by a TMEM16 scramblase.
Elife, 8, 2019
6RQP
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BU of 6rqp by Molmil
Steady-state-SMX dark state structure of bacteriorhodopsin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
5JRZ
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BU of 5jrz by Molmil
Structure of the NS3 helicase from the French Polynesia strain of the Zika virus
Descriptor: ACETATE ION, Helicase, PYROPHOSPHATE 2-
Authors:Jain, R, Coloma, J, Aggarwal, A.K.
Deposit date:2016-05-06
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of the NS3 helicase from Zika virus.
Nat.Struct.Mol.Biol., 23, 2016
7I1B
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BU of 7i1b by Molmil
HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF INTERLEUKIN-1 BETA IN SOLUTION BY THREE-AND FOUR-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
Descriptor: INTERLEUKIN-1 BETA
Authors:Clore, G.M, Gronenborn, A.M.
Deposit date:1991-01-22
Release date:1992-10-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-resolution three-dimensional structure of interleukin 1 beta in solution by three- and four-dimensional nuclear magnetic resonance spectroscopy.
Biochemistry, 30, 1991
4R4J
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BU of 4r4j by Molmil
Crystal structure of complex sp_ASADH with 3-carboxypropyl-phthalic acid and Nicotinamide Adenine dinucleotide phosphate
Descriptor: 1,2-ETHANEDIOL, 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E.
Deposit date:2014-08-19
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
6RRQ
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BU of 6rrq by Molmil
Crystal structure of tyrosinase PvdP from Pseudomonas aeruginosa bound to copper
Descriptor: COPPER (II) ION, GLYCEROL, PvdP
Authors:Wibowo, J.P, Batista, F.A, van Oosterwijk, N, Groves, M.R, Dekker, F.J, Quax, W.J.
Deposit date:2019-05-20
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A novel mechanism of inhibition by phenylthiourea on PvdP, a tyrosinase synthesizing pyoverdine of Pseudomonas aeruginosa.
Int.J.Biol.Macromol., 146, 2020
5JSP
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BU of 5jsp by Molmil
New Mechanistic Insight from Substrate and Product Bound Structures of the Metal-dependent Dimethylsulfoniopropionate Lyase DddQ
Descriptor: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, BROMIDE ION, CHLORIDE ION, ...
Authors:Brummett, A.E, Dey, M.
Deposit date:2016-05-09
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:New Mechanistic Insight from Substrate- and Product-Bound Structures of the Metal-Dependent Dimethylsulfoniopropionate Lyase DddQ.
Biochemistry, 55, 2016
4R02
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BU of 4r02 by Molmil
yCP in complex with BSc4999 (alpha-Keto Phenylamide)
Descriptor: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide, Probable proteasome subunit alpha type-7, ...
Authors:Voss, C, Scholz, C, Knorr, S, Beck, P, Stein, M, Zall, A, Kuckelkorn, U, Kloetzel, P.-M, Groll, M, Hamacher, K, Schmidt, B.
Deposit date:2014-07-29
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:alpha-Keto Phenylamides as P1'-Extended Proteasome Inhibitors.
Chemmedchem, 9, 2014
4R3R
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BU of 4r3r by Molmil
Crystal structures of EGFR in complex with Mig6
Descriptor: Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1'
Authors:Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J.
Deposit date:2014-08-17
Release date:2015-08-12
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
6HCG
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BU of 6hcg by Molmil
Klebsiella pneumoniae type II secretion system outer membrane complex. PulD, PulS and PulC HR domain.
Descriptor: Pectic enzymes secretion protein OutC, Pullulanase, Type II secretion system protein D
Authors:Chernyatina, A.A, Low, H.H.
Deposit date:2018-08-15
Release date:2019-11-27
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Core architecture of a bacterial type II secretion system.
Nat Commun, 10, 2019
6XHU
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BU of 6xhu by Molmil
Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design
Descriptor: 3C-like proteinase
Authors:Kneller, D.W, Coates, L, Kovalevsky, A.
Deposit date:2020-06-19
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
6HET
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BU of 6het by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT055
Descriptor: Ephrin type-A receptor 2, ~{N}-(3-chlorophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.208 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6A80
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BU of 6a80 by Molmil
Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with cystine
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K.
Deposit date:2018-07-05
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding.
Febs J., 286, 2019
8TCS
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BU of 8tcs by Molmil
Structure of trehalose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1
Descriptor: ACETATE ION, COBALT (II) ION, Xylose isomerase-like TIM barrel domain-containing protein, ...
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-02
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
5JVX
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BU of 5jvx by Molmil
X-ray structure of the adduct formed in the reaction between thaumatin and a gold carbene compound
Descriptor: (1-butyl-3-methyl-1,3-dihydro-2H-imidazol-2-ylidene)(chloro)gold, CHLORIDE ION, L(+)-TARTARIC ACID, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2016-05-11
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:First Crystal Structure for a Gold Carbene-Protein Adduct.
Bioconjug.Chem., 27, 2016
7ZPW
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BU of 7zpw by Molmil
Crystal structure of Pizza6-TSK-TSH with Silicotungstic Acid (STA) polyoxometalate
Descriptor: Keggin (STA), Pizza6-TSK-TSH
Authors:Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
Deposit date:2022-04-29
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutational study of a symmetry matched protein-polyoxometalate interface.
To be published
6HEU
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BU of 6heu by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT058
Descriptor: 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.719 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
7ZPH
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BU of 7zph by Molmil
Crystal structure of Pizza6-TNK-RSH with Silicotungstic Acid (STA) polyoxometalate
Descriptor: Keggin (STA), Pizza6-TNK-RSH
Authors:Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D.
Deposit date:2022-04-27
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Mutational study of a symmetry matched protein-polyoxometalate interface
To be published
7QNV
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BU of 7qnv by Molmil
human carbonic anhydrase II bound to 3-methylbenzoselenoate
Descriptor: 3-methylbenzoselenoate, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-12-22
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
8PU3
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BU of 8pu3 by Molmil
Complex of the toxin/antitoxin FaRel2/ATfaRel2
Descriptor: ATfaRel2, FaRel2
Authors:Garcia-Pino, A, Talavera Perez, A, Dominguez Molina, L.
Deposit date:2023-07-16
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of the toxin/antitoxin complex FaRel2/ATfaRel2
To Be Published
6A8S
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BU of 6a8s by Molmil
Crystal Structure of the putative amino acid-binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Cysteine
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K.
Deposit date:2018-07-10
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding.
Febs J., 286, 2019
7QOB
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BU of 7qob by Molmil
Human Carbonic Anhydrase I in complex with benzoselenoate
Descriptor: Carbonic anhydrase 1, ZINC ION, benzoselenoate
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-12-23
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
6HFJ
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BU of 6hfj by Molmil
Human dihydroorotase mutant F1563A co-crystallized with carbamoyl aspartate at pH 7.5
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018

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