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3KR8
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BU of 3kr8 by Molmil
Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939
分子名称: 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, SULFATE ION, ...
著者Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-11-18
公開日2009-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.
J.Med.Chem., 53, 2010
3N50
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BU of 3n50 by Molmil
Human Early B-cell factor 3 (EBF3) IPT/TIG and HLHLH domains
分子名称: Transcription factor COE3
著者Lehtio, L, Siponen, M.I, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schuler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2010-05-24
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
3F3S
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BU of 3f3s by Molmil
The Crystal Structure of Human Lambda-Crystallin, CRYL1
分子名称: CHLORIDE ION, GLYCEROL, Lambda-crystallin homolog, ...
著者Ugochukwu, E, Johansson, C, Yue, W.W, Kochan, G, Pilka, E, Kramm, A, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-10-31
公開日2008-11-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of Human Lambda-Crystallin, CRYL1
To be Published
3F70
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BU of 3f70 by Molmil
Crystal structure of L3MBTL2-H4K20me1 complex
分子名称: Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE
著者Guo, Y, Qi, C, Allali-Hassani, A, Pan, P, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Botchkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
登録日2008-11-07
公開日2009-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3FL7
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BU of 3fl7 by Molmil
Crystal structure of the human ephrin A2 ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Ephrin receptor, ...
著者Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-12-18
公開日2009-01-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
2YD0
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BU of 2yd0 by Molmil
Crystal structure of the soluble domain of human endoplasmic reticulum aminopeptidase 1 ERAP1
分子名称: 1,2-ETHANEDIOL, 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vollmar, M, Kochan, G, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Raynor, J, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S.
登録日2011-03-17
公開日2011-04-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of the Endoplasmic Reticulum Aminopeptidase-1 (Erap1) Reveal the Molecular Basis for N-Terminal Peptide Trimming.
Proc.Natl.Acad.Sci.USA, 108, 2011
4QTE
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BU of 4qte by Molmil
Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE
分子名称: 1,2-ETHANEDIOL, 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ...
著者Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-07
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
4QTB
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BU of 4qtb by Molmil
Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Chaikuad, A, Keates, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-07
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
4QTA
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BU of 4qta by Molmil
Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ...
著者Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-07
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
4QTD
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BU of 4qtd by Molmil
Structure of human JNK1 in complex with SCH772984 and the AMPPNP-hydrolysed triphosphate revealing the second type-I binding mode
分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Chaikuad, A, Keates, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-07
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
4QTC
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BU of 4qtc by Molmil
Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I binding mode
分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ...
著者Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-07
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
6GI6
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BU of 6gi6 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl core.
分子名称: 1,2-ETHANEDIOL, 5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ...
著者Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-05-10
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
3P0N
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BU of 3p0n by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
分子名称: 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one, GLYCEROL, SULFATE ION, ...
著者Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-09-29
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
6QAT
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BU of 6qat by Molmil
Crystal structure of ULK2 in complexed with hesperadin
分子名称: N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide, Serine/threonine-protein kinase ULK2
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-12-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
6QAS
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BU of 6qas by Molmil
Crystal structure of ULK1 in complexed with PF-03814735
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, GLYCEROL, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-12-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
6QAU
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BU of 6qau by Molmil
Crystal structure of ULK2 in complexed with MRT67307
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-12-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
6GIP
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BU of 6gip by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 2, 5-dimethyl core.
分子名称: 1,2-ETHANEDIOL, 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ...
著者Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mathea, S, Chen, Z, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-05-14
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
3P0P
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BU of 3p0p by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
分子名称: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one, SULFATE ION, Tankyrase-2, ...
著者Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-09-29
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
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
2XS6
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BU of 2xs6 by Molmil
CRYSTAL STRUCTURE OF THE RHOGAP DOMAIN OF HUMAN PIK3R2
分子名称: CHLORIDE ION, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT BETA
著者Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
登録日2010-09-24
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Structure and Catalytic Mechanism of Human Sphingomyelin Phosphodiesterase Like 3A - an Acid Sphingomyelinase Homolog with a Novel Nucleotide Hydrolase Activity.
FEBS J., 283, 2016
6QAV
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BU of 6qav by Molmil
Crystal structure of ULK2 in complexed with MRT68921
分子名称: 1,2-ETHANEDIOL, GLYCEROL, SODIUM ION, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-12-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
2X5Y
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BU of 2x5y by Molmil
Human ZC3HAV1 (ARTD13), C-terminal domain
分子名称: ZINC FINGER CCCH-TYPE ANTIVIRAL PROTEIN 1
著者Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Kraulis, P, Moche, M, Nordlund, P, Nyman, T, Persson, C, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.
登録日2010-02-11
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural Basis for Lack of Adp-Ribosyltransferase Activity in Poly(Adp-Ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
3QK3
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BU of 3qk3 by Molmil
Crystal structure of human beta-crystallin B3
分子名称: 1,2-ETHANEDIOL, Beta-crystallin B3, SULFATE ION
著者Krojer, T, Gileadi, C, Cocking, R, Muniz, J, Pilka, E, Yue, W.W, Vollmar, M, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2011-01-31
公開日2011-02-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献

3Q4U
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BU of 3q4u by Molmil
Crystal structure of the ACVR1 kinase domain in complex with LDN-193189
分子名称: 1,2-ETHANEDIOL, 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ...
著者Chaikuad, A, Sanvitale, C, Cooper, C.D.O, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C.K, Krojer, T, Vollmar, M, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-12-24
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
3P0Q
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BU of 3p0q by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
分子名称: N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine, SODIUM ION, SULFATE ION, ...
著者Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-09-29
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012

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