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8TSY
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BU of 8tsy by Molmil
Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8AKH
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BU of 8akh by Molmil
Crystal structure of DltE from L. plantarum soaked with LTA
Descriptor: Beta-lactamase family protein, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Ravaud, S, Nikolopoulos, N, Grangeasse, C.
Deposit date:2022-07-29
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
6JGE
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BU of 6jge by Molmil
Crystal structure of barley exohydrolaseI W434A mutant in complex with methyl 2-thio-beta-sophoroside.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-13
Release date:2020-08-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
7AKQ
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BU of 7akq by Molmil
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose obtained by soaking.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2020-10-01
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Comput Struct Biotechnol J, 19, 2021
7REG
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BU of 7reg by Molmil
DfrA1 complexed with NADPH and 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228)
Descriptor: 4'-chloro-3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl][1,1'-biphenyl]-4-carboxamide, CALCIUM ION, Dihydrofolate reductase type 1, ...
Authors:Lombardo, M.N, Wright, D.L.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
8AGR
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BU of 8agr by Molmil
Crystal structure of DltE from L. plantarum, apo form
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase family protein, SULFATE ION
Authors:Ravaud, S, Nikolopoulos, N, Grangeasse, C.
Deposit date:2022-07-20
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
8T8L
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BU of 8t8l by Molmil
Structure of Domain of Unknown Function 507 (DUF507) in Space Group P3(2)21
Descriptor: DI(HYDROXYETHYL)ETHER, DUF507 family protein, SODIUM ION
Authors:Tanner, J.J, McKay, C.E.
Deposit date:2023-06-22
Release date:2023-08-30
Method:SOLUTION SCATTERING (1.9 Å), X-RAY DIFFRACTION
Cite:Crystal structure of domain of unknown function 507 (DUF507) reveals a new protein fold.
Sci Rep, 13, 2023
7AL9
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BU of 7al9 by Molmil
human GTP cyclohydrolase I feedback regulatory protein (GFRP) in complex with phenylalanine
Descriptor: GTP cyclohydrolase 1 feedback regulatory protein, PHENYLALANINE, POTASSIUM ION
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7ALA
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BU of 7ala by Molmil
human GCH-GFRP inhibitory complex
Descriptor: 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.846 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7RK4
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BU of 7rk4 by Molmil
Mannitol-2-dehydrogenase from Aspergillus fumigatus
Descriptor: Mannitol 2-dehydrogenase
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting the Mannitol Biosynthesis Pathway in Aspergillus fumigatus: Characterisation and Inhibition of Mannitol-2-Dehydrogenase
To Be Published
6CSP
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BU of 6csp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexenylhydroxamate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2018-03-21
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.237 Å)
Cite:Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018
8AV0
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BU of 8av0 by Molmil
small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3
Descriptor: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-04-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
7ALC
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BU of 7alc by Molmil
human GCH-GFRP stimulatory complex
Descriptor: GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, PHENYLALANINE, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
6JG9
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BU of 6jg9 by Molmil
Crystal structure of AimR in complex with arbitrium peptide
Descriptor: AimR transcriptional regulator, arbitrium peptide
Authors:Guan, Z.Y, Pei, K, Zou, T.T.
Deposit date:2019-02-13
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural insights into DNA recognition by AimR of the arbitrium communication system in the SPbeta phage.
Cell Discov, 5, 2019
8TT2
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BU of 8tt2 by Molmil
Pseudomonas fluorescens isocyanide hydratase pH=5.4
Descriptor: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
7R27
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BU of 7r27 by Molmil
Crystal structure of the L. plantarum D-alanine ligase DltA
Descriptor: ADENOSINE MONOPHOSPHATE, D-ALANINE, D-alanine--D-alanyl carrier protein ligase
Authors:Nikolopoulos, N, Ravaud, S, Simorre, J.P, Grangeasse, C.
Deposit date:2022-02-04
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:DltC acts as an interaction hub for AcpS, DltA and DltB in the teichoic acid D-alanylation pathway of Lactiplantibacillus plantarum.
Sci Rep, 12, 2022
6CQC
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BU of 6cqc by Molmil
RNase P protein from Thermotoga maritima in complex with 1-(4-Fluorophenyl)-2-thiourea
Descriptor: 1-(4-fluorophenyl)thiourea, Ribonuclease P protein component, SULFATE ION
Authors:Torres-Larios, A, Madrigal-Carrillo, E.A.
Deposit date:2018-03-14
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of novel RNase P inhibitors via an activity-binding-structure pipeline
To Be Published
7ALY
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BU of 7aly by Molmil
The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with Au(I) for phasing
Descriptor: GOLD ION, PA4063 from Pseudomonas aeruginosa
Authors:Fiorillo, A, Ilari, A.
Deposit date:2020-10-07
Release date:2021-10-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
8TSZ
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BU of 8tsz by Molmil
Pseudomonas fluorescens G150T-3 isocyanide hydratase at 274 K
Descriptor: CHLORIDE ION, Isonitrile hydratase InhA
Authors:Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C.
Deposit date:2023-08-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography.
Biorxiv, 2023
8AJI
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BU of 8aji by Molmil
Crystal structure of DltE from L. plantarum, TCEP form
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, Beta-lactamase family protein, GLYCEROL, ...
Authors:Ravaud, S, Nikolopoulos, N, Grangeasse, C.
Deposit date:2022-07-28
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
7ALB
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BU of 7alb by Molmil
human GCH-GFRP stimulatory complex 7-deaza-GTP bound
Descriptor: 7-deaza-GTP, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
6JGN
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BU of 6jgn by Molmil
Crystal structure of barley exohydrolaseI W434H in complex with 4'-nitrophenyl thiolaminaribioside
Descriptor: 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-14
Release date:2020-08-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
7QZR
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BU of 7qzr by Molmil
Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Pfanzagl, V, Brito, J.A.
Deposit date:2022-01-31
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The staphylococcal inhibitory protein SPIN binds to human myeloperoxidase with picomolar affinity but only dampens halide oxidation.
J.Biol.Chem., 298, 2022
7AWP
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BU of 7awp by Molmil
Structure of the thermostabilized EAAT1 cryst-II mutant in complex with rubidium and barium ions and the allosteric inhibitor UCPH101
Descriptor: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ...
Authors:Canul-Tec, J.C, Legrand, P, Reyes, N.
Deposit date:2020-11-08
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.91 Å)
Cite:The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
7AMX
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BU of 7amx by Molmil
The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with zinc
Descriptor: DUF2796 domain-containing protein, ZINC ION
Authors:Fiorillo, A, Ilari, A.
Deposit date:2020-10-09
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021

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