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PDB: 89832 results

8OJO
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BU of 8ojo by Molmil
Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol
Descriptor: 1-deoxy-alpha-D-mannopyranose, 1-thio-beta-D-galactopyranose, Galectin-3, ...
Authors:Tsagkarakou, A.S, Leonidas, D.D.
Deposit date:2023-03-24
Release date:2023-09-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
6YOU
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BU of 6you by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with Pyrido[3,2-d]pyrimidin-4-amine (soaked)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, pyrido[3,2-d]pyrimidin-4-amine
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
6W5B
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BU of 6w5b by Molmil
N124D Deamidation Mutant of Human gammaD-Crystallin
Descriptor: Gamma-crystallin D
Authors:Whitley, M.J, Rathi, N, Ambarian, M, Gronenborn, A.M.
Deposit date:2020-03-12
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Assessing the Structures and Interactions of gamma D-Crystallin Deamidation Variants.
Structure, 29, 2021
6YPP
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BU of 6ypp by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with PKI (5-24). Soaking of aminofasudil and displacing it with the fragment isoquinoline.
Descriptor: ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G.
Deposit date:2020-04-16
Release date:2021-04-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorescence-based displacement experiments
To Be Published
8U2A
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BU of 8u2a by Molmil
Crystal structure of NanI in complex with Neu5,9Ac
Descriptor: 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Exo-alpha-sialidase, ...
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2023-09-05
Release date:2024-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A "terminal" case of glycan catabolism: Structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 300, 2024
6VK0
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BU of 6vk0 by Molmil
CryoEM structure of Hrd1-Usa1/Der1/Hrd3 of the flipped topology
Descriptor: Degradation in the endoplasmic reticulum protein 1, ERAD-associated E3 ubiquitin-protein ligase HRD1, ERAD-associated E3 ubiquitin-protein ligase component HRD3, ...
Authors:Wu, X, Rapoport, T.A.
Deposit date:2020-01-18
Release date:2020-04-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of ER-associated protein degradation mediated by the Hrd1 ubiquitin ligase complex.
Science, 368, 2020
8EN1
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BU of 8en1 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 30
Descriptor: GII.4 P domain, Nanobody 30
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8ULE
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BU of 8ule by Molmil
The structure of NanH in complex with Neu5,9Ac
Descriptor: 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Sialidase
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2023-10-16
Release date:2024-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A "terminal" case of glycan catabolism: Structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 300, 2024
7ATR
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BU of 7atr by Molmil
The Crystal Structure of YejA - an ABC Peptide Transporter Receptor
Descriptor: GLYCEROL, Uncharacterized protein YejA
Authors:Ackroyd, B.K, Dodson, E.J, Wilkinson, A.J, Thomas, G.T.
Deposit date:2020-10-30
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure of YejA - an ABC Peptide Transporter Receptor
To Be Published
7SGP
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BU of 7sgp by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form C)
Descriptor: Flagellar protein FliL
Authors:Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
Deposit date:2021-10-06
Release date:2022-03-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
4WS9
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BU of 4ws9 by Molmil
Crystal structure of sMAT N159G from Sulfolobus solfataricus
Descriptor: PHOSPHATE ION, S-adenosylmethionine synthase
Authors:Wang, F, Brady, E.L, Singh, S, Clinger, J.A, Huber, T.D, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2014-10-26
Release date:2014-11-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Crystal structure of sMAT N159G from Sulfolobus solfataricus.
To Be Published
4WTQ
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BU of 4wtq by Molmil
Structure of the Ssl1 laccase mutant M295L
Descriptor: COPPER (II) ION, Copper oxidase, GLYCEROL, ...
Authors:Gunne, M, Hoeppner, A, Urlacher, V.B.
Deposit date:2014-10-30
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Ssl1 laccase mutant M295L
To Be Published
4WI0
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BU of 4wi0 by Molmil
Crystal structure of Coh3ScaB-XDoc_M2ScaA complex: A C-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus
Descriptor: CALCIUM ION, Cellulosomal scaffoldin, Cellulosomal scaffoldin adaptor protein B
Authors:Alves, V.D, Cameron, K, Najmudin, S.H, Fontes, C.M.G.A.
Deposit date:2014-09-24
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of Coh3ScaB-XDoc_M1ScaA complex: A C-terminal interface mutant of type II Cohesin-X-Dockerin complex from Acetivibrio cellulolyticus
To Be Published
8BR4
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BU of 8br4 by Molmil
Structure of GAPDH from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kumar, A, Karthikeyan, S.
Deposit date:2022-11-22
Release date:2023-11-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Stoichiometry of ligand binding and role of C-terminal lysines in Mycobacterium tuberculosis and human GAPDH multifunctionality.
Febs J., 2024
7RWA
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BU of 7rwa by Molmil
AP2 bound to heparin and Tgn38 tyrosine cargo peptide
Descriptor: AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
Authors:Baker, R.W, Hollopeter, G, Partlow, E.A.
Deposit date:2021-08-19
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis of an endocytic checkpoint that primes the AP2 clathrin adaptor for cargo internalization.
Nat.Struct.Mol.Biol., 29, 2022
5M46
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BU of 5m46 by Molmil
Alpha-amino epsilon-caprolactam racemase (ACLR) from Rhizobacterium freirei
Descriptor: 1,2-ETHANEDIOL, Aminotransferase class-III, PYRIDOXAL-5'-PHOSPHATE
Authors:Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G.
Deposit date:2016-10-18
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography
Acs Catalysis, 7, 2017
8U1H
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BU of 8u1h by Molmil
Axle-less Bacillus sp. PS3 F1 ATPase mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase gamma chain, ATP synthase subunit alpha, ...
Authors:Furlong, E.J, Zeng, Y.C, Brown, S.H.J, Sobti, M, Stewart, A.G.
Deposit date:2023-09-01
Release date:2024-09-11
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The molecular structure of an axle-less F 1 -ATPase.
Biochim Biophys Acta Bioenerg, 2024
5AN5
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BU of 5an5 by Molmil
B. subtilis GpsB C-terminal Domain
Descriptor: CELL CYCLE PROTEIN GPSB, GLYCEROL
Authors:Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Moller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S.
Deposit date:2015-09-04
Release date:2015-11-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of the Bacterial Cell Division Determinant Gpsb and its Interaction with Penicillin Binding Proteins.
Mol.Microbiol., 99, 2016
8EN6
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BU of 8en6 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 76
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GII.4 P domain, ...
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
6Y0M
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BU of 6y0m by Molmil
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N mutant
Descriptor: Low affinity immunoglobulin epsilon Fc receptor membrane-bound form
Authors:Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
Deposit date:2020-02-09
Release date:2021-06-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
8EMY
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BU of 8emy by Molmil
Structure of GII.4 norovirus in complex with Nanobody 82
Descriptor: 1,2-ETHANEDIOL, GII.4 P domain, Nanobody 82
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
5LWP
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BU of 5lwp by Molmil
Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists
Descriptor: 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma
Authors:Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F.
Deposit date:2016-09-19
Release date:2016-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
8EN2
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BU of 8en2 by Molmil
Structure of GII.10 norovirus in complex with Nanobody 34
Descriptor: 1,2-ETHANEDIOL, GII.10 P domain, Nanobody 34
Authors:Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
6W3N
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BU of 6w3n by Molmil
APE1 exonuclease substrate complex D148E
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(C7R))-3'), ...
Authors:Freudenthal, B.D, Whitaker, A.M.
Deposit date:2020-03-09
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
7RWB
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BU of 7rwb by Molmil
AP2 bound to the APA domain of SGIP in the presence of heparin
Descriptor: AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
Authors:Baker, R.W, Hollopeter, G, Partlow, E.A.
Deposit date:2021-08-19
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of an endocytic checkpoint that primes the AP2 clathrin adaptor for cargo internalization.
Nat.Struct.Mol.Biol., 29, 2022

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