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4DYM
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BU of 4dym by Molmil
Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
分子名称: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ...
著者Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2012-02-29
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
4MR4
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Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4C8D
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BU of 4c8d by Molmil
Crystal structure of JmjC domain of human histone 3 Lysine-specific demethylase 3B (KDM3B)
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Vollmar, M, Johansson, C, Gileadi, C, Goubin, S, Szykowska, A, Krojer, T, Crawley, L, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2013-09-30
公開日2013-10-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of Jmjc Domain of Human Histone 3 Lysine-Specific Demethylase 3B (Kdm3B)
To be Published
2WNS
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BU of 2wns by Molmil
Human Orotate phosphoribosyltransferase (OPRTase) domain of Uridine 5' -monophosphate synthase (UMPS) in complex with its substrate orotidine 5'-monophosphate (OMP)
分子名称: CHLORIDE ION, OROTATE PHOSPHORIBOSYLTRANSFERASE, OROTIDINE-5'-MONOPHOSPHATE
著者Moche, M, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotyenova, T, Kotzch, A, Nielsen, T.K, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P.
登録日2009-07-19
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human Orotate Phosphoribosyltransferase (Oprtase) Domain of Uridine 5'-Monophosphate Synthase (Umps) in Complex with its Substrate Orotidine 5'-Monophosphate (Omp)
To be Published
5FZB
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BU of 5fzb by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4-Pyridylthiourea (N06275b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 1-pyridin-4-ylthiourea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-12
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4-Pyridylthiourea (N06275B) (Ligand Modelled Based on Pandda Event Map, Sgc -Diamond I04-1 Fragment Screening)
To be Published
2WM8
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Crystal structure of human magnesium-dependent phosphatase 1 of the haloacid dehalogenase superfamily (MGC5987)
分子名称: 1,2-ETHANEDIOL, MAGNESIUM-DEPENDENT PHOSPHATASE 1
著者Yue, W.W, Shafqat, N, Pike, A.C.W, Chaikuad, A, Bray, J.E, Pilka, E.W, Burgess-Brown, N, Hapka, E, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2009-06-30
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Human Magnesium-Dependent Phosphatase 1 of the Haloacid Dehalogenase Superfamily (Mgc5987)
To be Published
2W4O
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BU of 2w4o by Molmil
Crystal structure of Human CAMK4 in complex with 4-Amino(sulfamoyl- phenylamino)-triazole-carbothioic acid (2,6-difluoro-phenyl)-amide)
分子名称: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE IV
著者Muniz, J.R.C, Rellos, P, Gileadi, O, Fedorov, O, Filippakopoulos, P, Salah, E, Pike, A, Phillips, C, Niesen, F, Shrestha, L, Burgess-Brown, N, Bullock, A, Berridge, G, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Knapp, S.
登録日2008-11-28
公開日2009-01-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal Structure of Human Camk4 in Complex with 4-Amino(Sulfamoyl-Phenylamino)-Triazole- Carbothioic Acid (2,6-Difluoro-Phenyl)-Amide)
To be Published
3K2I
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BU of 3k2i by Molmil
Human Acyl-coenzyme A thioesterase 4
分子名称: Acyl-coenzyme A thioesterase 4, CHLORIDE ION, NICKEL (II) ION
著者Siponen, M.I, Moche, M, 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, Karlberg, T, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2009-09-30
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human Acyl-coenzyme A thioesterase 4
To be Published
2WWE
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BU of 2wwe by Molmil
Crystal structure of the phox homology domain of human phosphoinositide-3-kinase-C2-gamma
分子名称: PHOSPHOINOSITIDE-3-KINASE, CLASS 2, GAMMA POLYPEPTIDE
著者Roos, A.K, Tresaugues, L, 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, Karlberg, T, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-10-22
公開日2009-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of the Phox Homology Domain of Human Phosphoinositide-3-Kinase-C2-Gamma
To be Published
2WWY
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BU of 2wwy by Molmil
Structure of human RECQ-like helicase in complex with a DNA substrate
分子名称: 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ...
著者Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O.
登録日2009-10-30
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures
Proc.Natl.Acad.Sci.USA, 112, 2015
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
2VSW
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The structure of the rhodanese domain of the human dual specificity phosphatase 16
分子名称: DUAL SPECIFICITY PROTEIN PHOSPHATASE 16
著者Murray, J.W, Barr, A, Pike, A.C.W, Elkins, J, Phillips, C, Wang, J, Savitsky, P, Roos, A, Bishop, S, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Burgess-Brown, N, Pantic, N, Bray, J, von Delft, F, Gileadi, O, Knapp, S.
登録日2008-04-30
公開日2008-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structure of the Rhodanese Domain of the Human Dual Specifity Phosphatase 16
To be Published
2X7F
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Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor
分子名称: 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE
著者Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S.
登録日2010-02-26
公開日2010-07-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor
To be Published
3KVH
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Crystal structure of human protein syndesmos (NUDT16-like protein)
分子名称: CHLORIDE ION, GLYCEROL, Protein syndesmos
著者Tresaugues, L, Siponen, M.I, 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, Karlberg, T, Kotenyova, T, Kotzsch, A, Kraulis, P, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Roos, A.K, Schuler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-11-30
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human protein syndesmos (NUDT16L1)
To be Published
2WZ9
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Crystal structure of the thioredoxin domain of human TXNL2
分子名称: GLUTAREDOXIN-3
著者Vollmar, M, Johannson, C, Cocking, R, Pike, A.C.W, Muniz, J.R.C, Edwards, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Kavanagh, K.L.
登録日2009-11-25
公開日2010-03-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the Thioredoxin Domain of Human Txnl2
To be Published
2X8A
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Human Nuclear Valosin containing protein Like (NVL), C-terminal AAA- ATPase domain
分子名称: NUCLEAR VALOSIN-CONTAINING PROTEIN-LIKE, PHOSPHATE ION
著者Moche, M, Schuetz, 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, Karlberg, T, Kotenyova, T, Kraulis, P, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.
登録日2010-03-08
公開日2010-03-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Human Nuclear Valosin Containing Protein Like (Nvl) , C-Terminal Aaa-ATPase Domain
To be Published
2XIK
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Structure of Human YSK1 (Yeast Sps1-Ste20-related Kinase 1)
分子名称: 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE PROTEIN KINASE 25
著者Muniz, J.R.C, Rellos, P, Ugochukwu, E, Vollmar, M, Allerston, C, Chaikuad, A, Savitsky, P, Berridge, G, Brenner, B, Elkins, J.M, Daga, N, Gileadi, O, Mahajan, P, Shrestha, B, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
登録日2010-06-30
公開日2010-07-14
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1)
To be Published
4MR6
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Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
2XRF
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Crystal structure of human uridine phosphorylase 2
分子名称: GLYCEROL, MAGNESIUM ION, URACIL, ...
著者Welin, M, Moche, 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, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
登録日2010-09-14
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Human Uridine Phosphorylase 2
To be Published
2XRI
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Crystal structure of human ERI1 exoribonuclease 3
分子名称: ERI1 EXORIBONUCLEASE 3, GLYCEROL, MAGNESIUM ION
著者Welin, M, 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, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
登録日2010-09-15
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of Human Eri1 Exoribonuclease 3
To be Published
2XSW
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Crystal structure of human INPP5E
分子名称: 72 KDA INOSITOL POLYPHOSPHATE 5-PHOSPHATASE, CHLORIDE ION, GLYCEROL
著者Tresaugues, L, Schutz, P, 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, Welin, M, Nordlund, P.
登録日2010-09-30
公開日2010-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Inpp5E
To be Published
2XXZ
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Crystal structure of the human JMJD3 jumonji domain
分子名称: 1,2-ETHANEDIOL, 8-hydroxyquinoline-5-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者Che, K.H, Yue, W.W, Krojer, T, Muniz, J.R.C, Ng, S.S, Tumber, A, Daniel, M, Burgess-Brown, N, Savitsky, P, Ugochukwu, E, Filippakopoulos, P, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2010-11-12
公開日2010-11-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Human Jmjd3 Jumonji Domain
To be Published
5F5A
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Crystal Structure of human JMJD2D complexed with KDOAM16
分子名称: 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ...
著者Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
7B6J
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Crystal structure of MurE from E.coli in complex with minifrag succinimide
分子名称: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, ...
著者Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
登録日2020-12-07
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of MurE from E.coli
To Be Published
7B6G
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Crystal structure of MurE from E.coli in complex with Z1675346324
分子名称: DIMETHYL SULFOXIDE, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
著者Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
登録日2020-12-07
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.937 Å)
主引用文献Crystal structure of MurE from E.coli
To Be Published

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