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7SH1
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BU of 7sh1 by Molmil
Class II UvrA protein - Ecm16
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Excinuclease ABC subunit UvrA, ...
Authors:Grade, P, Erlandson, A, Ullah, A, Mathews, I.I, Chen, X, Kim, C.-Y, Mera, P.E.
Deposit date:2021-10-07
Release date:2022-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and functional analyses of the echinomycin resistance conferring protein Ecm16 from Streptomyces lasalocidi.
Sci Rep, 13, 2023
8PDI
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BU of 8pdi by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1763271112
Descriptor: (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-07-26
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8OTV
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BU of 8otv by Molmil
Crystal structure of NUDT14 complexed with novel compound
Descriptor: 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2023-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 2024
8SLZ
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BU of 8slz by Molmil
Crystal structure of phosphorylated (T357/S358) human MLKL pseudokinase domain
Descriptor: Mixed lineage kinase domain-like protein
Authors:Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M.
Deposit date:2023-04-25
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phosphorylation-dependent pseudokinase domain dimerization drives full-length MLKL oligomerization.
Nat Commun, 14, 2023
8SRY
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BU of 8sry by Molmil
Crystal structure of BAK-BAX heterodimer with C12E8
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ...
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
Deposit date:2023-05-08
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SPZ
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BU of 8spz by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine
Descriptor: Apoptosis regulator BAX, SULFATE ION
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
Deposit date:2023-05-04
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SRX
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BU of 8srx by Molmil
Crystal structure of BAK-BAX heterodimer with lysoPC
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ...
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
Deposit date:2023-05-07
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SPF
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BU of 8spf by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ...
Authors:Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M.
Deposit date:2023-05-03
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SVK
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BU of 8svk by Molmil
Crystal structure of Bax D71N core domain BH3-groove dimer
Descriptor: Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Miller, M.S, Czabotar, P.E, Colman, P.M.
Deposit date:2023-05-16
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SPE
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BU of 8spe by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ...
Authors:Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2023-05-03
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8T5X
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BU of 8t5x by Molmil
Probing the dissociation pathway of a kinetically labile transthyretin mutant (A25T)
Descriptor: Transthyretin
Authors:Ferguson, J.A, Sun, X, Leach, B.I, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2023-06-14
Release date:2023-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Probing the Dissociation Pathway of a Kinetically Labile Transthyretin Mutant.
J.Am.Chem.Soc., 146, 2024
8W1N
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BU of 8w1n by Molmil
Structure of transthyretin pathogenic mutation A120S
Descriptor: Transthyretin
Authors:Ferguson, J.A, Stanfield, R.L, Wright, P.E.
Deposit date:2024-02-16
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The mispacked F87 sidechain drives aggregation-promoting conformational fluctuations in transthyretin
To Be Published
8W2W
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BU of 8w2w by Molmil
Structure of transthyretin synthetic mutation A120L
Descriptor: Transthyretin
Authors:Yang, K, Sun, X, Ferguson, J.A, Stanfield, R.L, Wright, P.E.
Deposit date:2024-02-21
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The mispacked F87 sidechain drives aggregation-promoting conformational fluctuations in transthyretin
To Be Published
2G9P
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BU of 2g9p by Molmil
NMR structure of a novel antimicrobial peptide, latarcin 2a, from spider (Lachesana tarabaevi) venom
Descriptor: antimicrobial peptide Latarcin 2a
Authors:Dubovskii, P.V, Volynsky, P.E, Polyansky, A.A, Chupin, V.V, Efremov, R.G, Arseniev, A.S.
Deposit date:2006-03-07
Release date:2006-09-12
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Spatial structure and activity mechanism of a novel spider antimicrobial peptide.
Biochemistry, 45, 2006
6C4G
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BU of 6c4g by Molmil
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601)
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:Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F.
Deposit date:2018-01-11
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
1PTO
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BU of 1pto by Molmil
THE STRUCTURE OF A PERTUSSIS TOXIN-SUGAR COMPLEX AS A MODEL FOR RECEPTOR BINDING
Descriptor: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, PERTUSSIS TOXIN, PERTUSSIS TOXIN (SUBUNIT S1), ...
Authors:Stein, P.E, Read, R.J.
Deposit date:1994-03-22
Release date:1995-09-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a pertussis toxin-sugar complex as a model for receptor binding.
Nat.Struct.Biol., 1, 1994
6WLH
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BU of 6wlh by Molmil
RNA complex of WT1 zinc finger transcription factor
Descriptor: RNA (29-MER), Wilms tumor protein, ZINC ION
Authors:Wright, P.E, Dyson, H.J.
Deposit date:2020-04-20
Release date:2021-03-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:RNA Binding by the KTS Splice Variants of Wilms' Tumor Suppressor Protein WT1.
Biochemistry, 59, 2020
6DFA
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BU of 6dfa by Molmil
Kaiso (ZBTB33) E535A zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.908 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
6X8O
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BU of 6x8o by Molmil
BimBH3 peptide tetramer
Descriptor: Bcl-2-like protein 11, THIOCYANATE ION
Authors:Robin, A.Y, Westphal, D, Uson, I, Czabotar, P.E.
Deposit date:2020-06-01
Release date:2020-09-09
Last modified:2021-02-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Biophysical Characterization of Pro-apoptotic BimBH3 Peptides Reveals an Unexpected Capacity for Self-Association.
Structure, 29, 2021
6DMX
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BU of 6dmx by Molmil
HBZ56 in complex with KIX and c-Myb
Descriptor: BZIP factor, CREB-binding protein, Transcriptional activator Myb
Authors:Yang, K, Wright, P.E, Stanfield, R.L.
Deposit date:2018-06-05
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DNQ
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BU of 6dnq by Molmil
HBZ77 in complex with KIX and c-Myb
Descriptor: 1,2-ETHANEDIOL, BZIP factor, CREB-binding protein, ...
Authors:Yang, K, Wright, P.E, Stanfield, R.L.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for cooperative regulation of KIX-mediated transcription pathways by the HTLV-1 HBZ activation domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DF9
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BU of 6df9 by Molmil
Kaiso (ZBTB33) E535Q zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.319 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
6DF8
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BU of 6df8 by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS), pH 6.5
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.536 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
7Q63
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BU of 7q63 by Molmil
The tandem SH2 domains of SYK
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-05
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The tandem SH2 domains of SYK
To Be Published
7Q5T
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BU of 7q5t by Molmil
The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The tandem SH2 domains of SYK
To Be Published

219869

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