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8RZD
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BU of 8rzd by Molmil
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9
Descriptor: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-hydroxyphenyl)benzoic acid, ...
Authors:Kalnins, G.
Deposit date:2024-02-12
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9
To Be Published
7LFN
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BU of 7lfn by Molmil
Structure of Hyperglycosylated Human IgG1 Fc (Fc267_329)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IgG1 Fc (Fc267_329), alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fields, J.K, Sundberg, E.J.
Deposit date:2021-01-17
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Silent Antibodies: Generation of Hyperglycosylated FCs to Ablate Effector Functions
To Be Published
6YB2
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BU of 6yb2 by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaId)2
Descriptor: CC-Type2-(TaId)2, GLYCEROL
Authors:Scott, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
6FPC
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BU of 6fpc by Molmil
Structure of the PRO-PRO endopeptidase (PPEP-2) from Paenibacillus alvei
Descriptor: CADMIUM ION, PRO-PRO endopeptidase, SULFATE ION, ...
Authors:Weeks, S.D, Klychnikov, O.I, Hensbergen, P.J, Strelkov, S.V.
Deposit date:2018-02-09
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a new Pro-Pro endopeptidase, PPEP-2, provides mechanistic insights into the differences in substrate specificity within the PPEP family.
J. Biol. Chem., 293, 2018
6BSN
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BU of 6bsn by Molmil
Structure of proline utilization A (PutA) with proline bound in remote sites
Descriptor: Bifunctional protein PutA, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, PROLINE, ...
Authors:Tanner, J.J, Korasick, D.A.
Deposit date:2017-12-04
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for the Substrate Inhibition of Proline Utilization A by Proline.
Molecules, 23, 2017
7QSA
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BU of 7qsa by Molmil
Structural basis on the interaction of Scribble PDZ domains with the Tick Born encephalitis virus (TBEV) NS5 protein
Descriptor: Protein scribble homolog, RNA-directed RNA polymerase NS5
Authors:Javorsky, A, Humbert, P.O, Kvansakul, M.
Deposit date:2022-01-13
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Molecular basis of Tick Born encephalitis virus NS5 mediated subversion of apico-basal cell polarity signalling.
Biochem.J., 479, 2022
6YB0
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BU of 6yb0 by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaSd)2
Descriptor: CC-Type2-(TaSd)2
Authors:Scott, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
6YAZ
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BU of 6yaz by Molmil
Crystal structure of a parallel hexameric coiled coil CC-Type2-(TaId)5
Descriptor: CC-Type2-(TaId)5
Authors:Scott, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2020-03-15
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Constructing ion channels from water-soluble alpha-helical barrels.
Nat.Chem., 13, 2021
7QS9
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BU of 7qs9 by Molmil
Structural basis on the interaction of Scribble PDZ domains with the Tick Born encephalitis virus (TBEV) NS5 protein
Descriptor: Protein scribble homolog, RNA-directed RNA polymerase NS5
Authors:Javorsky, A, Humbert, P.O, Kvansakul, M.
Deposit date:2022-01-13
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of Tick Born encephalitis virus NS5 mediated subversion of apico-basal cell polarity signalling.
Biochem.J., 479, 2022
7QQH
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BU of 7qqh by Molmil
Crystal structure of MYORG (D520N) in complex with Gal-a1,4-Glc
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2022-01-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
6YF6
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BU of 6yf6 by Molmil
EclA C-terminal domain; sugar-binding protein
Descriptor: CALCIUM ION, Galactose-binding lectin, PHOSPHATE ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2020-03-26
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:EclA C-terminal domain; sugar-binding protein
To Be Published
8RNY
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BU of 8rny by Molmil
Hen Egg White Lysozyme soaked with with [H2Ind][trans-RuCl4(DMSO)(HInd)]
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K.
Deposit date:2024-01-11
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
5HH4
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BU of 5hh4 by Molmil
Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor
Descriptor: 1,2-ETHANEDIOL, 6-(phosphonomethyl)pyridine-2-carboxylic acid, Beta-lactamase IMP-1, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-01-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
6FTT
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BU of 6ftt by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRPP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ...
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2018-02-23
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
5V02
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BU of 5v02 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Descriptor: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, CALCIUM ION, Calmodulin-1, ...
Authors:Liu, S.
Deposit date:2017-02-28
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018
8AVL
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BU of 8avl by Molmil
Superoxide dismutase SodFM2 from Bacteroides fragilis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, Superoxide dismutase [Fe]
Authors:Basle, A, Barwinska-Sendra, A, Sendra, K.M, Waldron, K.
Deposit date:2022-08-26
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An ancient metalloenzyme evolves through metal preference modulation.
Nat Ecol Evol, 7, 2023
6FPV
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BU of 6fpv by Molmil
A llama-derived JBP1-targeting nanobody
Descriptor: GLYCEROL, Nanobody
Authors:van Beusekom, B, Adamopoulos, A, Heidebrecht, T, Joosten, R.P, Perrakis, A.
Deposit date:2018-02-12
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Characterization and structure determination of a llama-derived nanobody targeting the J-base binding protein 1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
7QQG
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BU of 7qqg by Molmil
Crystal structure of MYORG bound to 1-deoxygalactonojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2022-01-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7LF9
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BU of 7lf9 by Molmil
Structure of Hyperglycosylated Human IgG1 Fc (Fc329)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgG1 Fc (Fc329), ...
Authors:Fields, J.K, Sundberg, E.J.
Deposit date:2021-01-15
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Silent Antibodies: Generation of Hyperglycosylated FCs to Ablate Effector Functions
To Be Published
7QQF
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BU of 7qqf by Molmil
Crystal structure of unliganded MYORG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2022-01-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
6YGT
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BU of 6ygt by Molmil
Crystal structure of variant T52P of the intracellular chorismate mutase from Mycobacterium tuberculosis
Descriptor: Intracellular chorismate mutase
Authors:Khatanbaatar, T, Thorbjornsrud, H.V, Cordara, G, Krengel, U.
Deposit date:2020-03-27
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.635 Å)
Cite:Crystal structure of variant T52P of the intracellular chorismate mutase from Mycobacterium tuberculosis
To Be Published
8RV5
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BU of 8rv5 by Molmil
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 1
Descriptor: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Kalnins, G.
Deposit date:2024-01-31
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 1
To Be Published
7LD6
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BU of 7ld6 by Molmil
G150A Pseudomonas fluorescens isocyanide hydratase (G150A-1) at 274K, Phenix-refined
Descriptor: Isonitrile hydratase InhA
Authors:Su, Z, Dasgupta, M, Yoon, C.H, Wilson, M.A.
Deposit date:2021-01-12
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters.
Struct Dyn., 8, 2021
7QXC
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BU of 7qxc by Molmil
Recognition of Staphylococcus aureus wall teichoic acid analogue SA533 (compound 1) by Fab4461
Descriptor: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, DI(HYDROXYETHYL)ETHER, Fab 4461 heavy chain, ...
Authors:Soriano-Maldonado, P, van Raaij, M.J.
Deposit date:2022-01-26
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms.
Acs Cent.Sci., 8, 2022
6Q8K
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BU of 6q8k by Molmil
CLK1 with bound pyridoquinazoline
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
Authors:Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-14
Release date:2019-02-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019

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PDB entries from 2024-08-28

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