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6DK3
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BU of 6dk3 by Molmil
HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2
Descriptor: Serine hydroxymethyltransferase, mitochondrial, UNKNOWN ATOM OR ION
Authors:Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2018-05-28
Release date:2018-06-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2
to be published
4ACU
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BU of 4acu by Molmil
Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14
Descriptor: (8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1
Authors:Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S.
Deposit date:2011-12-19
Release date:2012-02-29
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
4ACX
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Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 23
Descriptor: (8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1
Authors:Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S.
Deposit date:2011-12-20
Release date:2012-02-29
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
4B00
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Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41)
Descriptor: 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1
Authors:Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J.
Deposit date:2012-06-27
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
4AZY
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Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10)
Descriptor: (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ...
Authors:Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J.
Deposit date:2012-06-27
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
3GFT
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Human K-Ras (Q61H) in complex with a GTP analogue
Descriptor: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Tong, Y, Tempel, W, Shen, L, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-02-27
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Human K-Ras in complex with a GTP analogue
To be Published
4DRZ
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BU of 4drz by Molmil
Crystal structure of human RAB14
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-14
Authors:Wang, J, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-02-17
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human RAB14
to be published
3BHD
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BU of 3bhd by Molmil
Crystal structure of human thiamine triphosphatase (THTPA)
Descriptor: CHLORIDE ION, CITRIC ACID, GLYCEROL, ...
Authors:Busam, R.D, Lehtio, L, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.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, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2007-11-28
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Human Thiamine Triphosphatase.
To be Published
3B7K
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BU of 3b7k by Molmil
Human Acyl-coenzyme A thioesterase 12
Descriptor: Acyl-coenzyme A thioesterase 12, COENZYME A
Authors:Lehtio, L, Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.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, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2007-10-31
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human Acyl-coenzyme A thioesterase 12.
To be Published
3NWN
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BU of 3nwn by Molmil
Crystal structure of the human KIF9 motor domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF9, ...
Authors:Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-07-09
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the human KIF9 motor domain in complex with ADP
To be Published
3ORH
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BU of 3orh by Molmil
Human guanidinoacetate N-methyltransferase with SAH
Descriptor: Guanidinoacetate N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2010-09-07
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The crystal structure of human guanidinoacetate N-methyltransferase with SAH
TO BE PUBLISHED
3B7P
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BU of 3b7p by Molmil
Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMINE, Spermidine synthase
Authors:Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2007-10-31
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine.
To be Published
3F3Z
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BU of 3f3z by Molmil
Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in presence of indirubin E804
Descriptor: 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one, Calcium/calmodulin-dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL
Authors:Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Cossar, D, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2008-10-31
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in presence of indirubin E804
To be Published
2VD6
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BU of 2vd6 by Molmil
Human adenylosuccinate lyase in complex with its substrate N6-(1,2- Dicarboxyethyl)-AMP, and its products AMP and fumarate.
Descriptor: 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, ...
Authors:Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-09-30
Release date:2007-10-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human Adenylosuccinate Lyase in Complex with its Substrate N6-(1,2-Dicarboxyethyl)-AMP, and its Products AMP and Fumarate.
To be Published
2UZ9
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BU of 2uz9 by Molmil
Human guanine deaminase (guaD) in complex with zinc and its product Xanthine.
Descriptor: GUANINE DEAMINASE, XANTHINE, ZINC ION
Authors:Moche, M, Welin, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-04-26
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human Guanine Deaminase (Guad) in Complex with Zinc and its Product Xhantine
To be Published
2V30
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BU of 2v30 by Molmil
Human orotidine 5'-phosphate decarboxylase domain of uridine monophospate synthetase (UMPS) in complex with its product UMP.
Descriptor: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, URIDINE-5'-MONOPHOSPHATE
Authors:Moche, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-06-10
Release date:2007-07-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Human Orotidine 5'-Decarboxylase Domain of Human Uridine Monophosphate Synthetase (Umps)
To be Published
2V40
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BU of 2v40 by Molmil
Human Adenylosuccinate synthetase isozyme 2 in complex with GDP
Descriptor: ADENYLOSUCCINATE SYNTHETASE ISOZYME 2, GUANOSINE-5'-DIPHOSPHATE
Authors:Welin, M, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-06-27
Release date:2007-07-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human Adenylosuccinate Synthetase Isozyme 2 in Complex with Gdp
To be Published
1XG5
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BU of 1xg5 by Molmil
Structure of human putative dehydrogenase MGC4172 in complex with NADP
Descriptor: ACETIC ACID, ARPG836, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kavanagh, K, Ng, S, Sharma, S, Vedadi, M, von Delft, F, Walker, J.R, dhe Paganon, S, Bray, J, Oppermann, U, Edwards, A, Arrowsmith, C, Sundstrom, M, Structural Genomics Consortium (SGC)
Deposit date:2004-09-16
Release date:2004-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural Genomics Consortium: Structure of the putative human dehydrogenase MGC4172
To be Published
3B6V
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BU of 3b6v by Molmil
Crystal structure of the motor domain of human kinesin family member 3C in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF3C, MAGNESIUM ION, ...
Authors:Zhu, H, Tempel, W, Shen, Y, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-10-29
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Motor domain of human kinesin family member 3C in complex with ADP.
To be Published
3BFK
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BU of 3bfk by Molmil
Crystal structure of Plasmodium falciparum Rab11a in complex with GDP
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Small GTPase Rab11
Authors:Pizarro, J.C, Sukumar, D, Hassanali, A, Lin, L, Wernimont, A.K, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2007-11-21
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Plasmodium falciparum Rab11a in complex with GDP.
To be Published
3B6U
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BU of 3b6u by Molmil
Crystal structure of the motor domain of human kinesin family member 3B in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF3B, MAGNESIUM ION, ...
Authors:Zhu, H, Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-10-29
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Motor domain of human kinesin family member 3B in complex with ADP.
To be Published
3B76
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BU of 3b76 by Molmil
Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase LNX, SODIUM ION
Authors:Ugochukwu, E, Burgess-Brown, N, Berridge, G, Elkins, J, Bunkoczi, G, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Gileadi, O, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
Deposit date:2007-10-30
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor.
To be Published
3FLG
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BU of 3flg by Molmil
The PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 beta
Descriptor: DNA (cytosine-5)-methyltransferase 3B
Authors:Amaya, M.F, Zeng, H, MacKenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2008-12-18
Release date:2009-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 beta
To be Published
1XL4
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BU of 1xl4 by Molmil
Intermediate gating structure 1 of the inwardly rectifying K+ channel KirBac3.1
Descriptor: Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION
Authors:Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M.
Deposit date:2004-09-30
Release date:2004-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two intermediate gating state crystal structures of the KirBac3.1 K+ channel
To be Published
1XL6
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Intermediate gating structure 2 of the inwardly rectifying K+ channel KirBac3.1
Descriptor: Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M.
Deposit date:2004-09-30
Release date:2004-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Two intermediate gating state crystal structures of the KirBac3.1 K+ channel
To be Published

217705

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