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3ZL2
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BU of 3zl2 by Molmil
A thiazolyl-mannoside bound to FimH, orthorhombic space group
Descriptor: N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine, PROTEIN FIMH
Authors:Brument, S, Sivignon, A, Dumych, T.I, Moreau, N, Roos, G, Guerardel, Y, Chalopin, T, Deniaud, D, Bilyy, R.O, Darfeuille-Michaud, A, Bouckaert, J, Gouin, S.G.
Deposit date:2013-01-27
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Thiazolylaminomannosides as Potent Antiadhesives of Type 1 Piliated Escherichia Coli Isolated from Crohn'S Disease Patients.
J.Med.Chem., 56, 2013
5LIU
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BU of 5liu by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor IDD388
Descriptor: (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, ...
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
Deposit date:2016-07-15
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
6W19
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BU of 6w19 by Molmil
Structures of Capsid and Capsid-Associated Tegument Complex inside the Epstein-Barr Virus
Descriptor: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
Authors:Liu, W, Cui, Y.X, Wang, C.Y, Li, Z.H, Gong, D.Y, Dai, X.H, Bi, G.Q, Sun, R, Zhou, Z.H.
Deposit date:2020-03-03
Release date:2020-07-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structures of capsid and capsid-associated tegument complex inside the Epstein-Barr virus.
Nat Microbiol, 5, 2020
5N7D
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BU of 5n7d by Molmil
MAGI-1 complexed with a RSK1 peptide
Descriptor: CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ...
Authors:Gogl, G, Nyitray, L.
Deposit date:2017-02-20
Release date:2017-11-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dynamic control of RSK complexes by phosphoswitch-based regulation.
FEBS J., 285, 2018
6W3P
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BU of 6w3p by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with beta-methylnorleucine
Descriptor: CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ...
Authors:Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
Deposit date:2020-03-09
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.383 Å)
Cite:Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6WAU
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BU of 6wau by Molmil
Complex structure of PHF19
Descriptor: Histone H3.1t peptide, PHD finger protein 19, UNKNOWN ATOM OR ION
Authors:Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2020-03-26
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
6WAV
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BU of 6wav by Molmil
Crystal structure of PHF1 in complex with H3K36me3 substitution
Descriptor: Histone H3.1, PHD finger protein 1, SULFATE ION, ...
Authors:Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2020-03-26
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
6VR3
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BU of 6vr3 by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-netilmicin and CoA
Descriptor: Aminoglycoside 2'-N-acetyltransferase, COENZYME A, N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
Authors:Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-02-06
Release date:2021-06-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
6VR2
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BU of 6vr2 by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-tobramycin and CoA
Descriptor: (1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-D-glucopyranoside, ACETATE ION, Aminoglycoside 2'-N-acetyltransferase, ...
Authors:Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-02-06
Release date:2021-06-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
6VTA
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BU of 6vta by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with amikacin and acetyl-CoA
Descriptor: (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, ACETYL COENZYME *A, Aminoglycoside 2'-N-acetyltransferase
Authors:Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-02-12
Release date:2021-06-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
6QXH
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BU of 6qxh by Molmil
Crystal structure of His-tag human thymidylate synthase (HT-hTS) in complex with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pozzi, C, Mangani, M.
Deposit date:2019-03-07
Release date:2019-04-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities.
Molecules, 24, 2019
7TQR
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BU of 7tqr by Molmil
Crystal Structure of histidine ammonia lyase from Thermoplasma acidophilum
Descriptor: Probable histidine ammonia-lyase
Authors:Wu, K, Dulchavsky, M, Bardwell, J.C.A.
Deposit date:2022-01-26
Release date:2022-04-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Microreactor equipped with naturally acid-resistant histidine ammonia lyase from an extremophile.
Mater Adv, 3, 2022
7TZ9
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BU of 7tz9 by Molmil
Structure of PQS Response Protein PqsE(E182W) Variant
Descriptor: FE (III) ION, Quinolone signal response protein
Authors:Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
Deposit date:2022-02-15
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
7TYS
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BU of 7tys by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel bound to ATP and repaglinide with Kir6.2-CTD in the up conformation
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-02-14
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7U1E
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BU of 7u1e by Molmil
CryoEM structure of the pancreatic ATP-sensitive potassium channel bound to ATP with Kir6.2-CTD in the down conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-02-21
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (4.52 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7TYT
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BU of 7tyt by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel bound to ATP and repaglinide with Kir6.2-CTD in the down conformation
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-02-14
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7UAA
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BU of 7uaa by Molmil
CryoEM structure of the pancreatic ATP-sensitive potassium channel in the ATP-bound state with Kir6.2-CTD in the up conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ATP-sensitive inward rectifier potassium channel 11
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-03-11
Release date:2022-08-31
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7TZA
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BU of 7tza by Molmil
Structure of PQS Response Protein PqsE in complex with N-(4-(3-neopentylureido)phenyl)-1H-indazole-7-carboxamide
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide, ...
Authors:Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
Deposit date:2022-02-15
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
7U1S
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BU of 7u1s by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel bound to ATP and repaglinide with SUR1-out conformation
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-02-22
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7U1Q
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BU of 7u1q by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel bound to ATP and repaglinide with SUR1-in conformation
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-02-21
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
6QXG
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BU of 6qxg by Molmil
Crystal structure of His-tag human thymidylate synthase (HT-hTS) in complex with FdUMP
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, SULFATE ION, Thymidylate synthase
Authors:Pozzi, C, Mangani, M.
Deposit date:2019-03-07
Release date:2019-04-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities.
Molecules, 24, 2019
7U24
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BU of 7u24 by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel bound to ATP and glibenclamide with Kir6.2-CTD in the up conformation
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ...
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-02-23
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7U6G
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BU of 7u6g by Molmil
Structure of PQS Response Protein PqsE(E182W,E280A) Variant
Descriptor: FE (III) ION, Quinolone signal response protein
Authors:Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
Deposit date:2022-03-04
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
7U6Y
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BU of 7u6y by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel in the presence of glibenclamide and ATP with Kir6.2-CTD in the down conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ATP-sensitive inward rectifier potassium channel 11
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-03-06
Release date:2022-08-31
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7U7M
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BU of 7u7m by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel in the presence of carbamazepine and ATP with Kir6.2-CTD in the up conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ATP-sensitive inward rectifier potassium channel 11
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-03-07
Release date:2022-08-31
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022

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