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PDB: 1259 件
4L7O
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BU of 4l7o by Molmil
Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542
分子名称: DIMETHYL SULFOXIDE, N-{(1S)-1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
4L7R
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BU of 4l7r by Molmil
Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400
分子名称: N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
4L70
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Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0352
分子名称: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-13
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
3MDZ
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BU of 3mdz by Molmil
Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
著者Ugochukwu, E, Shafqat, N, Pilka, E, Chaikuad, A, Krojer, T, Muniz, J, Kim, J, Bray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Carpenter, E.P, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7
to be published
4L7P
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BU of 4l7p by Molmil
Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0395
分子名称: (2E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-oxo-1,4-dihydroquinazolin-2-yl)prop-2-enamide, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
4L7N
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BU of 4l7n by Molmil
Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542
分子名称: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide, Poly [ADP-ribose] polymerase 3
著者Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H.
登録日2013-06-14
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
2FE5
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BU of 2fe5 by Molmil
The Crystal Structure of the Second PDZ Domain of Human DLG3
分子名称: GLYCEROL, Presynaptic protein SAP102, SULFATE ION
著者Ugochukwu, E, Phillips, C, Schoch, G, Berridge, G, Salah, E, Colebrook, S, Smee, C, Savitsky, P, Bray, J, Elkins, J, Doyle, D, Bunkoczi, G, Debreczeni, J, Turnbull, A, Gorrec, F, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC)
登録日2005-12-15
公開日2005-12-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Crystal Structure of the Second PDZ Domain of Human DLG3
To be Published
3C49
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BU of 3c49 by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948
分子名称: 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one, Poly(ADP-ribose) polymerase 3
著者Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
登録日2008-01-29
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
3C4H
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BU of 3c4h by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor DR2313
分子名称: 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Poly(ADP-ribose) polymerase 3
著者Lehtio, L, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
登録日2008-01-30
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
3CE0
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BU of 3ce0 by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor PJ34
分子名称: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 3
著者Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
登録日2008-02-27
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
2H57
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BU of 2h57 by Molmil
Crystal structure of human ADP-ribosylation factor-like 6
分子名称: ADP-ribosylation factor-like protein 6, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Wang, J, Shen, Y, Tempel, W, Landry, R, Lew, J, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2006-05-25
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human ADP-ribosylation factor-like 6 (CASP Target)
TO BE PUBLISHED
3N9X
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BU of 3n9x by Molmil
Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0
分子名称: GLYCEROL, Phosphotransferase
著者Wernimont, A.K, Hutchinson, A, Sullivan, H, MacKenzie, F, Kozieradzki, I, Chau, I, Lew, J, Senisterra, G, Artz, J, Amani, M, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-05-31
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Map Kinase from plasmodium berghei, PB000659.00.0
To be Published
4E74
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BU of 4e74 by Molmil
Crystal structure of the RHO GTPASE BINDING DOMAIN of Plexin A4A
分子名称: Plexin-A4, UNKNOWN ATOM OR ION
著者Guan, X, Wang, H, Tempel, W, Dong, A, Tong, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2012-03-16
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of the RHO GTPASE BINDING DOMAIN of Plexin A4A
to be published
2WBI
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BU of 2wbi by Molmil
Crystal structure of human acyl-CoA dehydrogenase 11
分子名称: ACYL-COA DEHYDROGENASE FAMILY MEMBER 11, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ...
著者Muniz, J.R.C, Guo, K, Savitsky, P, Roos, A, Yue, W, Pilka, E, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Oppermann, U.
登録日2009-02-28
公開日2009-05-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Human Acyl-Coa Dehydrogenase 11
To be Published
2WM8
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BU of 2wm8 by Molmil
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
2YAN
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BU of 2yan by Molmil
Crystal structure of the second glutaredoxin domain of human TXNL2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Vollmar, M, Johansson, C, Cocking, R, Muniz, J.R.C, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
登録日2011-02-23
公開日2011-11-30
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 the Second Glutaredoxin Domain of Human Txnl2
To be Published
2WM3
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Crystal structure of NmrA-like family domain containing protein 1 in complex with niflumic acid
分子名称: 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Bhatia, C, Yue, W.W, Niesen, F, Pilka, E, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2009-06-29
公開日2009-08-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
To be Published
2WMD
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BU of 2wmd by Molmil
Crystal structure of NmrA-like family domain containing protein 1 in complex with NADP and 2-(4-chloro-phenylamino)-nicotinic acid
分子名称: 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1
著者Bhatia, C, Pilka, E, Niesen, F, Yue, W.W, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, 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2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Nmra-Like Family Domain Containing Protein 1
To be Published
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
2X4D
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BU of 2x4d by Molmil
Crystal structure of human phospholysine phosphohistidine inorganic pyrophosphate phosphatase LHPP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Vollmar, M, Gileadi, C, Guo, K, Savitsky, P, Muniz, J.R.C, Yue, W, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U.
登録日2010-01-29
公開日2010-03-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal Structure of Human Phospholysine Phosphohistidine Inorganic Pyrophosphate Phosphatase Lhpp
To be Published
2XIK
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BU of 2xik by Molmil
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
2XRF
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BU of 2xrf by Molmil
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
4F1Q
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BU of 4f1q by Molmil
Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E)
分子名称: (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14
著者Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H.
登録日2012-05-07
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
2YBX
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BU of 2ybx by Molmil
Crystal Structure of Human Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha
分子名称: PHOSPHATE ION, PHOSPHATIDYLINOSITOL-5-PHOSPHATE 4-KINASE TYPE-2 ALPHA
著者Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Kotenyova, T, Kouznetsova, E, Nyman, T, Persson, C, Schuler, H, Siponen, M.I, Thorsell, A.G, Wahlberg, E, Weigelt, J, Nordlund, P.
登録日2011-03-30
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Crystal Structure of Human Phosphatidylinositol-5-Phosphate 4-Kinase Type-2 Alpha
To be Published
4FMW
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BU of 4fmw by Molmil
Crystal structure of methyltransferase domain of human RNA (guanine-9-) methyltransferase domain containing protein 2
分子名称: 1,2-ETHANEDIOL, POTASSIUM ION, RNA (guanine-9-)-methyltransferase domain-containing protein 2, ...
著者Dong, A, Zeng, H, Loppnau, P, Tempel, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-06-18
公開日2012-08-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of methyltransferase domain of human RNA (guanine-9-) methyltransferase domain containing protein 2
TO BE PUBLISHED

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