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1RFX
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BU of 1rfx by Molmil
Crystal Structure of resisitin
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Patel, S.D, Rajala, M.W, Scherer, P.E, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-11-10
Release date:2004-06-08
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Disulfide-dependent multimeric assembly of resistin family hormones
Science, 304, 2004
1RGO
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BU of 1rgo by Molmil
Structural Basis for Recognition of the mRNA Class II AU-Rich Element by the Tandem Zinc Finger Domain of TIS11d
Descriptor: Butyrate response factor 2, RNA (5'-R(*UP*UP*AP*UP*UP*UP*AP*UP*U)-3'), ZINC ION
Authors:Hudson, B.P, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2003-11-12
Release date:2004-03-02
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Recognition of the mRNA AU-rich element by the zinc finger domain of TIS11d.
NAT.STRUCT.MOL.BIOL., 11, 2004
1RXR
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BU of 1rxr by Molmil
HIGH RESOLUTION SOLUTION STRUCTURE OF THE RETINOID X RECEPTOR DNA BINDING DOMAIN, NMR, 20 STRUCTURE
Descriptor: RETINOIC ACID RECEPTOR-ALPHA, ZINC ION
Authors:Holmbeck, S.M.A, Foster, M.P, Casimiro, D.R, Sem, D.S, Dyson, H.J, Wright, P.E.
Deposit date:1998-06-12
Release date:1998-11-11
Last modified:2018-03-14
Method:SOLUTION NMR
Cite:High-resolution solution structure of the retinoid X receptor DNA-binding domain.
J.Mol.Biol., 281, 1998
1SFF
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BU of 1sff by Molmil
Structure of gamma-aminobutyrate aminotransferase complex with aminooxyacetate
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ...
Authors:Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D.
Deposit date:2004-02-19
Release date:2004-09-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase.
Biochemistry, 43, 2004
1SB0
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BU of 1sb0 by Molmil
Solution structure of the KIX domain of CBP bound to the transactivation domain of c-Myb
Descriptor: protein CBP, protein c-Myb
Authors:Zor, T, De Guzman, R.N, Dyson, H.J, Wright, P.E.
Deposit date:2004-02-09
Release date:2004-04-13
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution Structure of the KIX Domain of CBP Bound to the Transactivation Domain of c-Myb
J.Mol.Biol., 337, 2004
1SF2
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BU of 1sf2 by Molmil
Structure of E. coli gamma-aminobutyrate aminotransferase
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D.
Deposit date:2004-02-19
Release date:2004-09-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase.
Biochemistry, 43, 2004
1S88
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BU of 1s88 by Molmil
NMR structure of a DNA duplex with two INA nucleotides inserted opposite each other, dCTCAACXCAAGCT:dAGCTTGXGTTGAG
Descriptor: 5'-D(*AP*GP*CP*TP*TP*GP*(2DM)P*GP*TP*TP*GP*AP*G)-3', 5'-D(*CP*TP*CP*AP*AP*CP*(2DM)P*CP*AP*AP*GP*CP*T)-3'
Authors:Nielsen, C.B, Petersen, M, Pedersen, E.B, Hansen, P.E, Christensen, U.B.
Deposit date:2004-01-31
Release date:2004-05-25
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR structure determination of a modified DNA oligonucleotide containing a new intercalating nucleic acid.
Bioconjug.Chem., 15, 2004
6UNA
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BU of 6una by Molmil
Crystal structure of inactive p38gamma
Descriptor: GLYCEROL, Mitogen-activated protein kinase 12, SULFATE ION
Authors:Aoto, P.C, Stanfield, R.L, Wilson, I.A, Dyson, H.J, Wright, P.E.
Deposit date:2019-10-11
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:A Dynamic Switch in Inactive p38 gamma Leads to an Excited State on the Pathway to an Active Kinase.
Biochemistry, 58, 2019
6UXO
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BU of 6uxo by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bcl-2 homologous antagonist/killer, ...
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UXQ
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BU of 6uxq by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ...
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6V8U
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BU of 6v8u by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a modified Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*CP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*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:2019-12-12
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:A Conformational Switch in the Zinc Finger Protein Kaiso Mediates Differential Readout of Specific and Methylated DNA Sequences.
Biochemistry, 59, 2020
6VBZ
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BU of 6vbz by Molmil
Crystal structure of the rat MLKL pseudokinase domain
Descriptor: MANGANESE (II) ION, Mixed lineage kinase domain-like pseudokinase
Authors:Davies, K.A, Czabotar, P.E.
Deposit date:2019-12-19
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
6UXN
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BU of 6uxn by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine
Descriptor: Bcl-2 homologous antagonist/killer, GLYCEROL, O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ...
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UXP
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BU of 6uxp by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol
Descriptor: 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), Bcl-2 homologous antagonist/killer, GLYCEROL
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.492 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UXR
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BU of 6uxr by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with LysoPC
Descriptor: Bcl-2 homologous antagonist/killer, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UXM
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BU of 6uxm by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Bcl-2 homologous antagonist/killer
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6VC0
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BU of 6vc0 by Molmil
Crystal structure of the horse MLKL pseudokinase domain
Descriptor: GLYCEROL, Mixed lineage kinase domain like pseudokinase
Authors:Davies, K.A, Czabotar, P.E.
Deposit date:2019-12-19
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.746 Å)
Cite:Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
6UVC
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BU of 6uvc by Molmil
Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
Descriptor: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
Authors:Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
Deposit date:2019-11-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVE
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BU of 6uve by Molmil
Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
Descriptor: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1
Authors:Roy, M.J, Lessene, G, Czabotar, P.E.
Deposit date:2019-11-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVD
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BU of 6uvd by Molmil
Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
Descriptor: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
Authors:Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
Deposit date:2019-11-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVH
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BU of 6uvh by Molmil
Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
Descriptor: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
Authors:Roy, M.J, Lessene, G, Czabotar, P.E.
Deposit date:2019-11-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVF
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BU of 6uvf by Molmil
Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
Descriptor: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
Authors:Roy, M.J, Lessene, G, Czabotar, P.E.
Deposit date:2019-11-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVG
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BU of 6uvg by Molmil
Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid
Descriptor: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
Authors:Roy, M.J, Lessene, G, Czabotar, P.E.
Deposit date:2019-11-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6VUB
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BU of 6vub by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 5 (1-methyl-4-phenylpyrrolidin-2-one)
Descriptor: (4R)-1-methyl-4-phenylpyrrolidin-2-one, Bromodomain-containing protein 4
Authors:Ilyichova, O.V, Scanlon, M.J, Thompson, P.E.
Deposit date:2020-02-14
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020
6VUF
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BU of 6vuf by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 7h (4-(1-methyl-5-oxopyrrolidin-3-yl)-N-propylbenzenesulfonamide)
Descriptor: 4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide, Bromodomain-containing protein 4
Authors:Ilyichova, O.V, Scanlon, M.J, Thompson, P.E.
Deposit date:2020-02-15
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020

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