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6BWK
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BU of 6bwk by Molmil
Crystal structure of the human MLKL pseudokinase domain T357E/S358E mutant
分子名称: GLYCEROL, Mixed lineage kinase domain-like protein
著者Cowan, A.D, Czabotar, P.E, Murphy, J.M.
登録日2017-12-15
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Conformational switching of the pseudokinase domain promotes human MLKL tetramerization and cell death by necroptosis.
Nat Commun, 9, 2018
6C4G
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BU of 6c4g by Molmil
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601)
分子名称: 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, ...
著者Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F.
登録日2018-01-11
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
9PCY
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BU of 9pcy by Molmil
HIGH-RESOLUTION SOLUTION STRUCTURE OF REDUCED FRENCH BEAN PLASTOCYANIN AND COMPARISON WITH THE CRYSTAL STRUCTURE OF POPLAR PLASTOCYANIN
分子名称: COPPER (II) ION, PLASTOCYANIN
著者Moore, J.M, Lepre, C.A, Gippert, G.P, Chazin, W.J, Case, D.A, Wright, P.E.
登録日1991-03-18
公開日1993-10-31
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of reduced French bean plastocyanin and comparison with the crystal structure of poplar plastocyanin.
J.Mol.Biol., 221, 1991
1ANT
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BU of 1ant by Molmil
BIOLOGICAL IMPLICATIONS OF A 3 ANGSTROMS STRUCTURE OF DIMERIC ANTITHROMBIN
分子名称: ANTITHROMBIN
著者Carrell, R.W, Stein, P.E, Fermi, G, Wardell, M.R.
登録日1994-02-28
公開日1995-01-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Biological implications of a 3 A structure of dimeric antithrombin.
Structure, 2, 1994
1A16
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BU of 1a16 by Molmil
AMINOPEPTIDASE P FROM E. COLI WITH THE INHIBITOR PRO-LEU
分子名称: AMINOPEPTIDASE P, LEUCINE, MANGANESE (II) ION, ...
著者Wilce, M.C, Bond, C.S, Lilley, P.E, Dixon, N.E, Freeman, H.C, Guss, J.M.
登録日1997-12-22
公開日1999-04-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanism of a proline-specific aminopeptidase from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 95, 1998
1B3K
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BU of 1b3k by Molmil
Plasminogen activator inhibitor-1
分子名称: PLASMINOGEN ACTIVATOR INHIBITOR-1
著者Sharp, A.M, Stein, P.E, Pannu, N.S, Read, R.J.
登録日1998-12-11
公開日1999-12-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The active conformation of plasminogen activator inhibitor 1, a target for drugs to control fibrinolysis and cell adhesion.
Structure Fold.Des., 7, 1999
8PDG
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BU of 8pdg by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z2738285202
分子名称: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide
著者Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-06-28
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDH
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BU of 8pdh by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1742148362
分子名称: (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-06-28
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDJ
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BU of 8pdj by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z56948267
分子名称: 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-06-28
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDI
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BU of 8pdi by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1763271112
分子名称: (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
登録日2023-06-12
公開日2023-07-26
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
7MON
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BU of 7mon by Molmil
Structure of human RIPK3-MLKL complex
分子名称: Mixed lineage kinase domain-like protein, N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
著者Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M.
登録日2021-05-03
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
7MX3
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BU of 7mx3 by Molmil
Crystal structure of human RIPK3 complexed with GSK'843
分子名称: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3
著者Davies, K.A, Czabotar, P.E.
登録日2021-05-18
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
4U2V
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BU of 4u2v by Molmil
Bak BH3-in-Groove dimer (GFP)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Green fluorescent protein,Bcl-2 homologous antagonist/killer
著者Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2014-07-18
公開日2014-09-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bak Core and Latch Domains Separate during Activation, and Freed Core Domains Form Symmetric Homodimers.
Mol.Cell, 55, 2014
4TUH
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BU of 4tuh by Molmil
Bcl-xL in complex with inhibitor (Compound 10)
分子名称: 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, ACETATE ION, ...
著者Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M.
登録日2014-06-24
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.
Acs Med.Chem.Lett., 5, 2014
4U2U
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BU of 4u2u by Molmil
Bak domain swapped dimer induced by BidBH3 with CHAPS
分子名称: Bcl-2 homologous antagonist/killer
著者Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2014-07-18
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bak Core and Latch Domains Separate during Activation, and Freed Core Domains Form Symmetric Homodimers.
Mol.Cell, 55, 2014
1AX3
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BU of 1ax3 by Molmil
SOLUTION NMR STRUCTURE OF B. SUBTILIS IIAGLC, 16 STRUCTURES
分子名称: GLUCOSE PERMEASE IIA DOMAIN
著者Chen, Y, Case, D.A, Reizer, J, Saier Junior, M.H, Wright, P.E.
登録日1997-10-25
公開日1998-06-17
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of Bacillus subtilis IIAglc.
Proteins, 31, 1998
1BN7
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BU of 1bn7 by Molmil
HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
分子名称: ACETATE ION, HALOALKANE DEHALOGENASE
著者Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C.
登録日1998-07-31
公開日2000-02-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
1BN6
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BU of 1bn6 by Molmil
HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
分子名称: HALOALKANE DEHALOGENASE
著者Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C.
登録日1998-07-31
公開日2000-02-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
1CBV
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BU of 1cbv by Molmil
AN AUTOANTIBODY TO SINGLE-STRANDED DNA: COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF THE UNLIGANDED FAB AND A DEOXYNUCLEOTIDE-FAB COMPLEX
分子名称: DNA (5'-D(*TP*TP*T)-3'), PROTEIN (FAB (BV04-01) AUTOANTIBODY-HEAVY CHAIN), PROTEIN (FAB (BV04-01) AUTOANTIBODY-LIGHT CHAIN)
著者Herron, J.N, He, X.M, Ballard, D.W, Blier, P.R, Pace, P.E, Bothwell, A.L.M, Voss Junior, E.W, Edmundson, A.B.
登録日1993-03-16
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献An autoantibody to single-stranded DNA: comparison of the three-dimensional structures of the unliganded Fab and a deoxynucleotide-Fab complex.
Proteins, 11, 1991
1ZNF
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BU of 1znf by Molmil
THREE-DIMENSIONAL SOLUTION STRUCTURE OF A SINGLE ZINC FINGER DNA-BINDING DOMAIN
分子名称: 31ST ZINC FINGER FROM XFIN, ZINC ION
著者Lee, M.S, Gippert, G.P, Soman, K.V, Case, D.A, Wright, P.E.
登録日1989-09-25
公開日1991-07-15
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of a single zinc finger DNA-binding domain.
Science, 245, 1989
1XOB
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BU of 1xob by Molmil
THIOREDOXIN (REDUCED DITHIO FORM), NMR, 20 STRUCTURES
分子名称: THIOREDOXIN
著者Jeng, M.-F, Campbell, A.P, Begley, T, Holmgren, A, Case, D.A, Wright, P.E, Dyson, H.J.
登録日1995-11-28
公開日1996-06-10
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献High-resolution solution structures of oxidized and reduced Escherichia coli thioredoxin.
Structure, 2, 1994
1XOA
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BU of 1xoa by Molmil
THIOREDOXIN (OXIDIZED DISULFIDE FORM), NMR, 20 STRUCTURES
分子名称: THIOREDOXIN
著者Jeng, M.-F, Campbell, A.P, Begley, T, Holmgren, A, Case, D.A, Wright, P.E, Dyson, H.J.
登録日1995-11-28
公開日1996-06-10
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献High-resolution solution structures of oxidized and reduced Escherichia coli thioredoxin.
Structure, 2, 1994
4V2K
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BU of 4v2k by Molmil
Crystal structure of the thiosulfate dehydrogenase TsdA in complex with thiosulfate
分子名称: HEME C, THIOSULFATE, THIOSULFATE DEHYDROGENASE
著者Grabarczyk, D.B, Chappell, P.E, Eisel, B, Johnson, S, Lea, S.M, Berks, B.C.
登録日2014-10-10
公開日2015-02-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Mechanism of Thiosulfate Oxidation in the Soxa Family of Cysteine-Ligated Cytochromes
J.Biol.Chem., 290, 2015
4URA
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BU of 4ura by Molmil
Crystal structure of human JMJD2A in complex with compound 14a
分子名称: 1,2-ETHANEDIOL, 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Krojer, T, England, K.S, Vollmar, M, Crawley, L, Williams, E, Riesebos, E, Szykowska, A, Burgess-Brown, N, Oppermann, U, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2014-06-27
公開日2015-06-17
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
4UWQ
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BU of 4uwq by Molmil
Crystal structure of the disulfide-linked complex of the thiosulfodyrolase SoxB with the carrier-protein SoxYZ from Thermus thermophilus
分子名称: MANGANESE (II) ION, SOXY PROTEIN, SOXZ, ...
著者Grabarczyk, D.B, Chappell, P.E, Johnson, S, Stelzl, L.S, Lea, S.M, Berks, B.C.
登録日2014-08-14
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structural Basis for Specificity and Promiscuity in a Carrier Protein/Enzyme System from the Sulfur Cycle
Proc.Natl.Acad.Sci.USA, 112, 2015

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