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6QXJ
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BU of 6qxj by Molmil
Structure of MBP-Mcl-1 in complex with compound 6a
分子名称: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A.
登録日2019-03-07
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
6B8U
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BU of 6b8u by Molmil
Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor
分子名称: Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
著者Appleton, B.A, Murray, J, Shafer, C.M.
登録日2017-10-09
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5LZY
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BU of 5lzy by Molmil
Structure of the mammalian rescue complex with Pelota and Hbs1l assembled on a polyadenylated mRNA.
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
著者Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
登録日2016-10-02
公開日2016-11-30
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
5LZZ
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BU of 5lzz by Molmil
Structure of the mammalian rescue complex with Pelota and Hbs1l (combined)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
著者Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
登録日2016-10-02
公開日2016-11-30
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
5LZV
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BU of 5lzv by Molmil
Structure of the mammalian ribosomal termination complex with accommodated eRF1(AAQ) and ABCE1.
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
登録日2016-10-02
公開日2016-11-30
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
5LZX
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BU of 5lzx by Molmil
Structure of the mammalian rescue complex with Pelota and Hbs1l assembled on a UGA stop codon.
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
著者Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
登録日2016-10-02
公開日2016-11-30
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
5LZW
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BU of 5lzw by Molmil
Structure of the mammalian rescue complex with Pelota and Hbs1l assembled on a truncated mRNA.
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S.
登録日2016-10-02
公開日2016-11-30
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
3COS
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BU of 3cos by Molmil
Crystal structure of human class II alcohol dehydrogenase (ADH4) in complex with NAD and Zn
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Alcohol dehydrogenase 4, ...
著者Kavanagh, K.L, Shafqat, N, Yue, W, von Delft, F, Bishop, S, Roos, A, Murray, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-03-29
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human class II alcohol dehydrogenase (ADH4) in complex with NAD and Zn.
To be Published
1L3W
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BU of 1l3w by Molmil
C-cadherin Ectodomain
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Boggon, T.J, Murray, J, Chappuis-Flament, S, Wong, E, Gumbiner, B.M, Shapiro, L.
登録日2002-03-01
公開日2002-04-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献C-cadherin ectodomain structure and implications for cell adhesion mechanisms
Science, 296, 2002
4FCR
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BU of 4fcr by Molmil
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha
著者Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FCQ
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BU of 4fcq by Molmil
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha
著者Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4FCP
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BU of 4fcp by Molmil
Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
分子名称: Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
著者Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P.
登録日2012-05-25
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
3JAH
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BU of 3jah by Molmil
Structure of a mammalian ribosomal termination complex with ABCE1, eRF1(AAQ), and the UAG stop codon
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Brown, A, Shao, S, Murray, J, Hegde, R.S, Ramakrishnan, V.
登録日2015-06-10
公開日2015-08-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural basis for stop codon recognition in eukaryotes.
Nature, 524, 2015
3JAG
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BU of 3jag by Molmil
Structure of a mammalian ribosomal termination complex with ABCE1, eRF1(AAQ), and the UAA stop codon
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Brown, A, Shao, S, Murray, J, Hegde, R.S, Ramakrishnan, V.
登録日2015-06-10
公開日2015-08-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structural basis for stop codon recognition in eukaryotes.
Nature, 524, 2015
3JAI
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BU of 3jai by Molmil
Structure of a mammalian ribosomal termination complex with ABCE1, eRF1(AAQ), and the UGA stop codon
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Brown, A, Shao, S, Murray, J, Hegde, R.S, Ramakrishnan, V.
登録日2015-06-10
公開日2015-08-12
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structural basis for stop codon recognition in eukaryotes.
Nature, 524, 2015
5EMV
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BU of 5emv by Molmil
Crystal structure of the palmitoylated human TEAD2 transcription factor
分子名称: Transcriptional enhancer factor TEF-4
著者Noland, C.L, Gierke, S, Schnier, P.D, Murray, J, Sandoval, W.N, Sagolla, M, Dey, A, Hannoush, R.N, Fairbrother, W.J, Cunningham, C.N.
登録日2015-11-06
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Palmitoylation of TEAD Transcription Factors Is Required for Their Stability and Function in Hippo Pathway Signaling.
Structure, 24, 2016
5EMW
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BU of 5emw by Molmil
Crystal structure of the palmitoylated human TEAD3 transcription factor
分子名称: CALCIUM ION, Transcriptional enhancer factor TEF-5
著者Noland, C.L, Gierke, S, Schnier, P.D, Murray, J, Sandoval, W.N, Sagolla, M, Dey, A, Hannoush, R.N, Fairbrother, W.J, Cunningham, C.N.
登録日2015-11-06
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Palmitoylation of TEAD Transcription Factors Is Required for Their Stability and Function in Hippo Pathway Signaling.
Structure, 24, 2016
5FND
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BU of 5fnd by Molmil
Dynamic Undocking and the Quasi-Bound State as tools for Drug Design
分子名称: HEAT SHOCK PROTEIN, HSP90-ALPHA, N-(2-AZANYL-6-METHYL-1,3-BENZOTHIAZOL-5-YL)ETHANAMIDE, ...
著者Ruiz-Carmona, S, Schmidtke, P, Luque, F.J, Baker, L.M, Matassova, N, Davis, B, Roughley, S, Murray, J, Hubbard, R, Barril, X.
登録日2015-11-13
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dynamic undocking and the quasi-bound state as tools for drug discovery.
Nat Chem, 9, 2017
5FNF
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BU of 5fnf by Molmil
Dynamic Undocking and the Quasi-Bound State as tools for Drug Design
分子名称: 4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol, HEAT SHOCK PROTEIN, HSP90-ALPHA, ...
著者Ruiz-Carmona, S, Schmidtke, P, Luque, F.J, Baker, L.M, Matassova, N, Davis, B, Roughley, S, Murray, J, Hubbard, R, Barril, X.
登録日2015-11-13
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dynamic undocking and the quasi-bound state as tools for drug discovery.
Nat Chem, 9, 2017
5FNC
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BU of 5fnc by Molmil
Dynamic Undocking and the Quasi-Bound State as tools for Drug Design
分子名称: 6-CHLORO-4-N-[(4-METHYLPHENYL)METHYL]PYRIMIDINE- 2,4-DIAMINE, HEAT SHOCK PROTEIN, HSP90-ALPHA, ...
著者Ruiz-Carmona, S, Schmidtke, P, Luque, F.J, Baker, L.M, Matassova, N, Davis, B, Roughley, S, Murray, J, Hubbard, R, Barril, X.
登録日2015-11-13
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dynamic undocking and the quasi-bound state as tools for drug discovery.
Nat Chem, 9, 2017
2VRE
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BU of 2vre by Molmil
crystal structure of human peroxisomal delta3,5,delta2,4-dienoyl coa isomerase
分子名称: CHLORIDE ION, DELTA(3,5)-DELTA(2,4)-DIENOYL-COA ISOMERASE
著者Yue, W, Guo, K, von Delft, F, Pilka, E, Murray, J, Roos, A, Kochan, G, Bountra, C, Arrowsmith, C, Wikstrom, M, Edwards, A, Oppermann, U.
登録日2008-03-31
公開日2008-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Human Peroxisomal Delta3,5, Delta2,4-Dienoyl Coa Isomerase (Ech1)
To be Published
2VRF
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BU of 2vrf by Molmil
CRYSTAL STRUCTURE OF THE HUMAN BETA-2-SYNTROPHIN PDZ DOMAIN
分子名称: 1,2-ETHANEDIOL, BETA-2-SYNTROPHIN
著者Sun, Z, Roos, A.K, Pike, A.C.W, Pilka, E.S, Cooper, C, Elkins, J.M, Murray, J, Arrowsmith, C.H, Doyle, D, Edwards, A, von Delft, F, Bountra, C, Oppermann, U.
登録日2008-03-31
公開日2008-04-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Human Beta-2-Syntrophin Pdz Domain
To be Published
4N6G
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BU of 4n6g by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-11
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.142 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBK
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BU of 4nbk by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-23
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N7J
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BU of 4n7j by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-15
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.673 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014

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