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4WSK
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BU of 4wsk by Molmil
Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone
Descriptor: Alpha-L-fucosidase, IMIDAZOLE, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ...
Authors:Davies, G.J.
Deposit date:2014-10-28
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
6O3S
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BU of 6o3s by Molmil
NMR solution structure of Luffin P1
Descriptor: Ribosome-inactivating protein luffin P1
Authors:Rosengren, K.J, Payne, C.
Deposit date:2019-02-27
Release date:2019-04-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:An Ancient Peptide Family Buried within Vicilin Precursors.
Acs Chem.Biol., 14, 2019
6O3Q
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BU of 6o3q by Molmil
NMR solution structure of vicilin-buried peptide-8 (VBP-8)
Descriptor: Vicilin
Authors:Rosengren, K.J, Payne, C.
Deposit date:2019-02-27
Release date:2019-04-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:An Ancient Peptide Family Buried within Vicilin Precursors.
Acs Chem.Biol., 14, 2019
8SE6
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BU of 8se6 by Molmil
NKG2D complexed with inhibitor 36
Descriptor: N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ...
Authors:Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
Deposit date:2023-04-08
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
8SE5
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BU of 8se5 by Molmil
NKG2D complexed with inhibitor 14
Descriptor: DI(HYDROXYETHYL)ETHER, N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, ...
Authors:Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
Deposit date:2023-04-08
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
7TGM
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BU of 7tgm by Molmil
Crystal structure of HSC-AMS bound DesD, the desferrioxamine synthetase from the Streptomyces griseoflavus ferrimycin biosynthetic pathway
Descriptor: 4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid, Desferrioxamine synthetase DesD, GLYCEROL, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2022-01-07
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
J.Biol.Chem., 298, 2022
7TGJ
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BU of 7tgj by Molmil
Crystal structure of DesD, the desferrioxamine synthetase from the Streptomyces griseoflavus ferrimycin biosynthetic pathway
Descriptor: Desferrioxamine synthetase DesD, GLYCEROL, SULFATE ION
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2022-01-07
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
J.Biol.Chem., 298, 2022
7Y86
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BU of 7y86 by Molmil
CcpS mutant
Descriptor: UPF0297 protein A7J08_00425
Authors:Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J.
Deposit date:2022-06-22
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis.
Nat Commun, 14, 2023
7Y8Z
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BU of 7y8z by Molmil
CcpS
Descriptor: UPF0297 protein A7J08_00425
Authors:Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J.
Deposit date:2022-06-24
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis.
Nat Commun, 14, 2023
7VNG
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BU of 7vng by Molmil
Crystal structure of human coronavirus 229E spike protein receptor-binding domain in complex with S11 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S11 Fab heavy chain, S11 Fab light chain, ...
Authors:Xiang, J.C, Zhao, W.W, Yang, B.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Antigenic mapping reveals sites of vulnerability on alpha-HCoV spike protein.
Commun Biol, 5, 2022
7VN9
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BU of 7vn9 by Molmil
Crystal structure of human coronavirus 229E spike protein receptor-binding domain in complex with C04 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C04 Fab heavy chain, ...
Authors:Xiang, J.C, Yang, B.
Deposit date:2021-10-10
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.49 Å)
Cite:Antigenic mapping reveals sites of vulnerability on alpha-HCoV spike protein.
Commun Biol, 5, 2022
7C6O
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BU of 7c6o by Molmil
Catalytic Subunit of Cobaltochelatase from Mycobacterium tuberculosis
Descriptor: Cobalamin biosynthesis protein CobN, GLYCEROL, SODIUM ION
Authors:Zhang, J, Liu, L.
Deposit date:2020-05-22
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure of the large subunit of cobaltochelatase from Mycobacterium tuberculosis.
Proteins, 89, 2021
6JIC
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BU of 6jic by Molmil
Identification and Characterization of a carboxypeptidase inhibitor from Lycium barbarum
Descriptor: WCI
Authors:Tan, W.L, Wong, K.H, Huang, J.Y, Tay, S.V, Wang, S.J.
Deposit date:2019-02-20
Release date:2020-02-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Identification and characterization of a wolfberry carboxypeptidase inhibitor from Lycium barbarum.
Food Chem, 351, 2021
7XPJ
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BU of 7xpj by Molmil
crystal structure of rice ASI1 BAH domain
Descriptor: BAH domain-containing protein
Authors:Yuan, J, Du, J.
Deposit date:2022-05-04
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Molecular basis of locus-specific H3K9 methylation catalyzed by SUVH6 in plants.
Proc.Natl.Acad.Sci.USA, 120, 2023
7XPK
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BU of 7xpk by Molmil
crystal structure of rice ASI1 BAH domain in complex with a rice SUVH6 peptide
Descriptor: Alpha-aminoacylpeptide hydrolase, BAH domain-containing protein
Authors:Yuan, J, Du, J.
Deposit date:2022-05-04
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of locus-specific H3K9 methylation catalyzed by SUVH6 in plants.
Proc.Natl.Acad.Sci.USA, 120, 2023
6OM1
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BU of 6om1 by Molmil
Crystal structure of an atypical integrin
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, J.C, Springer, T.A.
Deposit date:2019-04-17
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:General structural features that regulate integrin affinity revealed by atypical alpha V beta 8.
Nat Commun, 10, 2019
6OM2
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BU of 6om2 by Molmil
Crystal structure of atypical integrin alphaV beta8 with proTGF-beta1 ligand peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, J.C, Springer, T.A.
Deposit date:2019-04-17
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:General structural features that regulate integrin affinity revealed by atypical alpha V beta 8.
Nat Commun, 10, 2019
7UUU
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BU of 7uuu by Molmil
First bromodomain of BRDT liganded with compound 2c
Descriptor: 1,2-ETHANEDIOL, Bromodomain testis-specific protein, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
Authors:Schonbrunn, E, Chan, A.
Deposit date:2022-04-29
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains.
Arch Pharm, 355, 2022
7UTY
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BU of 7uty by Molmil
First bromodomain of BRD4 liganded with compound 2c
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
Authors:Schonbrunn, E, Chan, A.
Deposit date:2022-04-28
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains.
Arch Pharm, 355, 2022
6IPC
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BU of 6ipc by Molmil
Non-native human ferritin 8-mer
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Ferritin heavy chain
Authors:Zang, J.C, Chen, H, Zhao, G.
Deposit date:2018-11-03
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.443 Å)
Cite:Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
7YFF
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BU of 7yff by Molmil
Structure of GluN1a-GluN2D NMDA receptor in complex with agonist glycine and competitive antagonist CPP.
Descriptor: (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J.L, Zhu, S.J, Zhang, M.
Deposit date:2022-07-08
Release date:2023-04-12
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
7YFL
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BU of 7yfl by Molmil
Structure of GluN1a-GluN2D NMDA receptor in complex with agonists glycine and glutamate.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Zhang, J.L, Zhu, S.J, Zhang, M.
Deposit date:2022-07-08
Release date:2023-04-12
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
7YFO
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BU of 7yfo by Molmil
Structure of GluN1a E698C-GluN2D NMDA receptor in cystines crosslinked state.
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2D
Authors:Zhang, J.L, Zhu, S.J, Zhang, M.
Deposit date:2022-07-08
Release date:2023-04-12
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
7YFR
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BU of 7yfr by Molmil
Structure of GluN1a E698C-GluN2D NMDA receptor in cystines non-crosslinked state.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Zhang, J.L, Zhu, S.J, Zhang, M.
Deposit date:2022-07-09
Release date:2023-04-12
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
6RX8
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BU of 6rx8 by Molmil
EDDS lyase variant D290M/Y320M with bound fumarate
Descriptor: Argininosuccinate lyase, FUMARIC ACID, SODIUM ION
Authors:Grandi, E, Poelarends, G.J, Thunnissen, A.M.W.H.
Deposit date:2019-06-07
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Engineered C-N Lyase: Enantioselective Synthesis of Chiral Synthons for Artificial Dipeptide Sweeteners.
Angew.Chem.Int.Ed.Engl., 59, 2020

223532

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