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7BBP
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BU of 7bbp by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Histone H4, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2020-12-18
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac
To Be Published
4ICD
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BU of 4icd by Molmil
REGULATION OF ISOCITRATE DEHYDROGENASE BY PHOSPHORYLATION INVOLVES NO LONG-RANGE CONFORMATIONAL CHANGE IN THE FREE ENZYME
Descriptor: PHOSPHORYLATED ISOCITRATE DEHYDROGENASE
Authors:Hurley, J.H, Dean, A.M, Thorsness, P.E, Koshlandjunior, D.E, Stroud, R.M.
Deposit date:1989-12-28
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of isocitrate dehydrogenase by phosphorylation involves no long-range conformational change in the free enzyme.
J.Biol.Chem., 265, 1990
8UKY
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BU of 8uky by Molmil
Crystal structure of BAK in complex with inhibiting antibody 14G6
Descriptor: 1,2-ETHANEDIOL, 14G6 Fab heavy chain, 14G6 Fab light chain, ...
Authors:Miller, M.S, Czabotar, P.E.
Deposit date:2023-10-15
Release date:2024-04-10
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:A novel inhibitory BAK antibody enables assessment of non-activated BAK in cancer cells.
Cell Death Differ., 2024
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
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
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
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
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
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
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
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
2N2A
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BU of 2n2a by Molmil
Spatial structure of HER2/ErbB2 dimeric transmembrane domain in the presence of cytoplasmic juxtamembrane domains
Descriptor: Receptor tyrosine-protein kinase erbB-2
Authors:Bragin, P.E, Mineev, K.S, Bocharov, E, Bocharova, O, Arseniev, A.
Deposit date:2015-05-05
Release date:2016-02-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:HER2 Transmembrane Domain Dimerization Coupled with Self-Association of Membrane-Embedded Cytoplasmic Juxtamembrane Regions.
J.Mol.Biol., 428, 2016
3GAH
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BU of 3gah by Molmil
Structure of a F112H variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ...
Authors:St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2009-02-17
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
3GAJ
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BU of 3gaj by Molmil
Structure of a C-terminal deletion variant of a PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ...
Authors:St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2009-02-17
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
3GAI
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BU of 3gai by Molmil
Structure of a F112A variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, COBALAMIN, ...
Authors:St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2009-02-17
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
3INQ
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BU of 3inq by Molmil
Crystal structure of BCL-XL in complex with W1191542
Descriptor: 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ...
Authors:Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F.
Deposit date:2009-08-12
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands
J. Biol. Chem., 284, 2009
3IO8
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BU of 3io8 by Molmil
BimL12F in complex with Bcl-xL
Descriptor: Bcl-2-like protein 1, Bcl-2-like protein 11, ZINC ION
Authors:Colman, P.M, Lee, E.F, Fairlie, W.D, Smith, B.J, Czabotar, P.E, Yang, H, Sleebs, B.E, Lessene, G.
Deposit date:2009-08-14
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
3IO9
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BU of 3io9 by Molmil
BimL12Y in complex with Mcl-1
Descriptor: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D.
Deposit date:2009-08-14
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
3L5I
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BU of 3l5i by Molmil
Crystal structure of FnIII domains of human GP130 (Domains 4-6)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta
Authors:Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E.
Deposit date:2009-12-22
Release date:2010-05-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
3L5J
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BU of 3l5j by Molmil
Crystal structure of FnIII domains of human GP130 (Domains 4-6)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta
Authors:Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E.
Deposit date:2009-12-22
Release date:2010-05-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3.042 Å)
Cite:Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
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
1FAS
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BU of 1fas by Molmil
1.9 ANGSTROM RESOLUTION STRUCTURE OF FASCICULIN 1, AN ANTI-ACETYLCHOLINESTERASE TOXIN FROM GREEN MAMBA SNAKE VENOM
Descriptor: FASCICULIN 1
Authors:Le Du, M.H, Marchot, P, Bougis, P.E, Fontecilla-Camps, J.C.
Deposit date:1992-08-07
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1.9-A resolution structure of fasciculin 1, an anti-acetylcholinesterase toxin from green mamba snake venom.
J.Biol.Chem., 267, 1992
5FZ1
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BU of 5fz1 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 2,4-dichloro-N-pyridin-3-ylbenzamide (E48115b) (ligand modelled based on PANDDA event map)
Descriptor: 1,2-ETHANEDIOL, 2,4-dichloro-N-(pyridin-3-yl)benzamide, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-10
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with E48115B
To be Published

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