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6EJ0
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BU of 6ej0 by Molmil
Crystal structure of KDM5B in complex with KDOPZ000049a.
Descriptor: 1,2-ETHANEDIOL, 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
Deposit date:2017-09-19
Release date:2018-05-02
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of KDM5B in complex with KDOPZ000049a.
to be published
6EIU
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BU of 6eiu by Molmil
Crystal structure of KDM5B in complex with KDOPZ29a
Descriptor: 1,2-ETHANEDIOL, 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
Deposit date:2017-09-19
Release date:2018-05-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of KDM5B in complex with KDOPZ29a.
to be published
6FJG
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BU of 6fjg by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and 4-nitrophenol
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:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2018-01-22
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous.
Sci Rep, 9, 2019
5GPO
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BU of 5gpo by Molmil
The sensor domain structure of the zinc-responsive histidine kinase CzcS from Pseudomonas Aeruginosa
Descriptor: SULFATE ION, Sensor protein CzcS, ZINC ION
Authors:Wang, D, Chen, W.Z, Huang, S.Q, Liu, X.C, Hu, Q.Y, Wei, T.B, Gan, J.H, Chen, H.
Deposit date:2016-08-03
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Structural basis of Zn(II) induced metal detoxification and antibiotic resistance by histidine kinase CzcS in Pseudomonas aeruginosa
PLoS Pathog., 13, 2017
5FJI
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BU of 5fji by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
6FX3
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BU of 6fx3 by Molmil
crystal structure of Pholiota squarrosa lectin in complex with a dodecasaccharide
Descriptor: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine, lectin
Authors:Cabanettes, A, Varrot, A.
Deposit date:2018-03-08
Release date:2018-07-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GZX
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BU of 6gzx by Molmil
T. thermophilus hibernating 100S ribosome (ice)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Flygaard, R.K, Jenner, L.B.
Deposit date:2018-07-05
Release date:2018-10-24
Method:ELECTRON MICROSCOPY (4.57 Å)
Cite:Cryo-EM structure of the hibernating Thermus thermophilus 100S ribosome reveals a protein-mediated dimerization mechanism.
Nat Commun, 9, 2018
1VFU
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BU of 1vfu by Molmil
Crystal structure of Thermoactinomyces vulgaris R-47 amylase 2/gamma-cyclodextrin complex
Descriptor: CALCIUM ION, Cyclooctakis-(1-4)-(alpha-D-glucopyranose), Neopullulanase 2
Authors:Ohtaki, A, Mizuno, M, Tonozuka, T, Sakano, Y, Kamitori, S.
Deposit date:2004-04-19
Release date:2005-02-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Complex structures of Thermoactinomyces vulgaris R-47 alpha-amylase 2 with acarbose and cyclodextrins demonstrate the multiple substrate recognition mechanism
J.BIOL.CHEM., 279, 2004
9EO0
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BU of 9eo0 by Molmil
Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1
Descriptor: Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide
Authors:Plewka, J, Hec, A, Sitar, T, Holak, T.
Deposit date:2024-03-14
Release date:2024-06-19
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
9BRD
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BU of 9brd by Molmil
Synaptic Vesicle V-ATPase with synaptophysin and SidK, State 3
Descriptor: (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coupland, C.E, Rubinstein, J.L.
Deposit date:2024-05-11
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:High-resolution electron cryomicroscopy of V-ATPase in native synaptic vesicles.
Science, 2024
8X8G
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BU of 8x8g by Molmil
Crystal structure of EndoSz mutant D234M, from Streptococcus equi subsp. Zooepidemicus Sz105, in complex with oligosaccharide G2S2-oxazoline
Descriptor: 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose, ...
Authors:Guan, H.H, Lin, C.C, Hsieh, Y.C, Chen, C.J.
Deposit date:2023-11-27
Release date:2024-07-03
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-Based High-Efficiency Homogeneous Antibody Platform by Endoglycosidase Sz Provides Insights into Its Transglycosylation Mechanism.
Jacs Au, 4, 2024
9B8O
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BU of 9b8o by Molmil
Synaptic Vesicle V-ATPase with synaptophysin and SidK, State 3, Vo
Descriptor: (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coupland, C.E, Rubinstein, J.L.
Deposit date:2024-03-31
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:High-resolution electron cryomicroscopy of V-ATPase in native synaptic vesicles.
Science, 2024
1W7N
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BU of 1w7n by Molmil
Crystal structure of human kynurenine aminotransferase I in PMP form
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, KYNURENINE--OXOGLUTARATE TRANSAMINASE I
Authors:Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M.
Deposit date:2004-09-06
Release date:2004-09-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
7QUO
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BU of 7quo by Molmil
FimH lectin domain in complex with oligomannose-6
Descriptor: FimH, NICKEL (II) ION, SULFATE ION, ...
Authors:Bouckaert, J, Bourenkov, G.P.
Deposit date:2022-01-18
Release date:2023-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors
J.Biol.Chem., 299, 2023
1W7M
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BU of 1w7m by Molmil
Crystal structure of human kynurenine aminotransferase I in complex with L-Phe
Descriptor: KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PHENYLALANINE, PYRIDOXAL-5'-PHOSPHATE
Authors:Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M.
Deposit date:2004-09-06
Release date:2004-09-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
1VHP
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BU of 1vhp by Molmil
VH-P8, NMR
Descriptor: VH-P8
Authors:Riechmann, L.
Deposit date:1996-04-16
Release date:1996-11-08
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Rearrangement of the former VL interface in the solution structure of a camelised, single antibody VH domain.
J.Mol.Biol., 259, 1996
7R81
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BU of 7r81 by Molmil
Structure of the translating Neurospora crassa ribosome arrested by cycloheximide
Descriptor: 18S rRNA, 26S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Shen, L, Su, Z, Yang, K, Wu, C, Becker, T, Bell-Pedersen, D, Zhang, J, Sachs, M.S.
Deposit date:2021-06-25
Release date:2021-12-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of the translating Neurospora ribosome arrested by cycloheximide
Proc.Natl.Acad.Sci.USA, 118, 2021
7G84
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BU of 7g84 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1102357527
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
7G86
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BU of 7g86 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1137725943
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-[(1H-indol-4-yl)methyl]ethanamine, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8H
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BU of 7g8h by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198180782
Descriptor: 5-methoxy-1H-pyrrolo[3,2-b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
7G80
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BU of 7g80 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1041785508
Descriptor: 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.671 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8I
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BU of 7g8i by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1198316457
Descriptor: 4,4-difluorocyclohexane-1-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.468 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
4W4N
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BU of 4w4n by Molmil
Crystal structure of human Fc at 1.80 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, GLYCEROL, ...
Authors:Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
Deposit date:2014-08-15
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
4URR
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BU of 4urr by Molmil
Tailspike protein of Sf6 bacteriophage bound to Shigella flexneri O- antigen octasaccharide fragment
Descriptor: 1,2-ETHANEDIOL, BIFUNCTIONAL TAIL PROTEIN, MANGANESE (II) ION, ...
Authors:Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2014-07-01
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions.
J.Am.Chem.Soc., 138, 2016
4V5B
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BU of 4v5b by Molmil
Structure of PDF binding helix in complex with the ribosome.
Descriptor: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Bingel-Erlenmeyer, R, Kohler, R, Kramer, G, Sandikci, A, Antolic, S, Maier, T, Schaffitzel, C, Wiedmann, B, Bukau, B, Ban, N.
Deposit date:2007-11-22
Release date:2014-07-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.74 Å)
Cite:A Peptide Deformylase-Ribosome Complex Reveals Mechanism of Nascent Chain Processing.
Nature, 452, 2008

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