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4GPJ
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BU of 4gpj by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand
分子名称: (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-08-21
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.
Medchemcomm, 4, 2013
5VWW
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BU of 5vww by Molmil
Bak core latch dimer in complex with Bim-RT - Tetragonal
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BROMIDE ION, Bcl-2 homologous antagonist/killer, ...
著者Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VWZ
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BU of 5vwz by Molmil
Bak in complex with Bim-h3Pc
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, AMMONIUM ION, Bcl-2 homologous antagonist/killer, ...
著者Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.622 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5W62
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BU of 5w62 by Molmil
Crystal structure of mouse BAX monomer
分子名称: Apoptosis regulator BAX, SULFATE ION
著者Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5VWY
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BU of 5vwy by Molmil
Bak core latch dimer in complex with Bim-h3Pc-RT
分子名称: Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, PHOSPHATE ION
著者Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.555 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX3
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BU of 5vx3 by Molmil
Bcl-xL in complex with Bim-h3Pc-RT
分子名称: 1,2-ETHANEDIOL, Bcl-2-like protein 1, Bcl-2-like protein 11
著者Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VWX
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BU of 5vwx by Molmil
Bak core latch dimer in complex with Bim-h0-h3Glt
分子名称: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11
著者Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.489 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5W5X
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BU of 5w5x by Molmil
Crystal structure of BAXP168G in complex with an activating antibody
分子名称: 1,2-ETHANEDIOL, 3C10 Fab' heavy chain, 3C10 Fab' light chain, ...
著者Robin, A.Y, Colman, P.M, Czabotar, P.E.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W5Z
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BU of 5w5z by Molmil
Crystal structure of BAXP168G in complex with an activating antibody at high resolution
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C10 Fab heavy chain, ...
著者Robin, A.Y, Colman, P.M, Czabotar, P.E.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W60
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BU of 5w60 by Molmil
Crystal structure of BAXP168G monomer cryo-protected with ethylene glycol
分子名称: Apoptosis regulator BAX, SULFATE ION
著者Robin, A.Y, Colman, P.M, Czabotar, P.E.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W61
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BU of 5w61 by Molmil
Crystal structure of BAXP168G monomer co-crystallized with glycerol
分子名称: Apoptosis regulator BAX
著者Robin, A.Y, Colman, P.M, Czabotar, P.E.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W63
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BU of 5w63 by Molmil
Crystal structure of channel catfish BAX
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator bax, SULFATE ION
著者Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.436 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5WPW
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BU of 5wpw by Molmil
Crystal structure of coconut allergen cocosin
分子名称: 11S globulin isoform 1
著者Jin, T, Zhang, Y.
登録日2016-11-21
公開日2017-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Crystal Structure of Cocosin, A Potential Food Allergen from Coconut (Cocos nucifera)
J. Agric. Food Chem., 65, 2017
3TIQ
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BU of 3tiq by Molmil
Crystal structure of Staphylococcus aureus SasG G51-E-G52 module
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Surface protein G
著者Gruszka, D.T, Wojdyla, J.A, Turkenburg, J.P, Potts, J.R.
登録日2011-08-21
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8739 Å)
主引用文献Staphylococcal biofilm-forming protein has a contiguous rod-like structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
4K2Y
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BU of 4k2y by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-09
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K60
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BU of 4k60 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
1JD3
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BU of 1jd3 by Molmil
Chorismate lyase G90A mutant with bound product
分子名称: P-HYDROXYBENZOIC ACID, chorismate lyase
著者Mayhew, M, Smith, N, Holden, M.J, Gallagher, D.T.
登録日2001-06-12
公開日2001-06-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
3TIP
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BU of 3tip by Molmil
Crystal structure of Staphylococcus aureus SasG E-G52 module
分子名称: Surface protein G
著者Gruszka, D.T, Wojdyla, J.A, Turkenburg, J.P, Potts, J.R.
登録日2011-08-21
公開日2012-04-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7009 Å)
主引用文献Staphylococcal biofilm-forming protein has a contiguous rod-like structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
4K5Z
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BU of 4k5z by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K69
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BU of 4k69 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
分子名称: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ...
著者Collins, B.K, Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
2WW3
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BU of 2ww3 by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with thiomannobioside
分子名称: CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE, ...
著者Suits, M.D.L, Zhu, Y, Thompson, A.J, Gilbert, H.J, Davies, G.J.
登録日2009-10-21
公開日2010-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanistic Insights Into a Ca(2+)-Dependent Family of Alpha-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2VN9
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BU of 2vn9 by Molmil
Crystal Structure of Human Calcium Calmodulin dependent Protein Kinase II delta isoform 1, CAMKD
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN, CHLORIDE ION, ...
著者Roos, A.K, Rellos, P, Salah, E, Pike, A.C.W, Fedorov, O, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S.
登録日2008-01-31
公開日2008-02-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2WO6
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BU of 2wo6 by Molmil
Human Dual-Specificity Tyrosine-Phosphorylation-Regulated Kinase 1A in complex with a consensus substrate peptide
分子名称: ARTIFICIAL CONSENSUS SEQUENCE, CHLORIDE ION, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, ...
著者Roos, A.K, Soundararajan, M, Elkins, J.M, Fedorov, O, Eswaran, J, Phillips, C, Pike, A.C.W, Ugochukwu, E, Muniz, J.R.C, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A, Bountra, C, Knapp, S.
登録日2009-07-22
公開日2009-08-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Down Syndrome Kinases, Dyrks, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013
2W2I
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BU of 2w2i by Molmil
Crystal structure of the human 2-oxoglutarate oxygenase LOC390245
分子名称: 2-OXOGLUTARATE OXYGENASE, GLYCEROL, NICKEL (II) ION, ...
著者Yue, W.W, Ng, S, Shafqat, N, Ugochukwu, E, McDonough, M, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C, Oppermann, U.
登録日2008-10-31
公開日2009-01-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
2WEK
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BU of 2wek by Molmil
Crystal structure of the human MGC45594 gene product in complex with diclofenac
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Shafqat, N, Yue, W.W, Ugochukwu, E, Niesen, F, Smee, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2009-03-31
公開日2009-12-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Human Mgc45594 Gene Product in Complex with Diclofenac
To be Published

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