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5LUG
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BU of 5lug by Molmil
Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide
分子名称: 1,2-ETHANEDIOL, ALA-ARG-THR-M3L-GLN-THR-ALA-2MR-LYS-SER, N3, ...
著者Srikannathasan, V, Gileadi, C, Talon, R, Shrestha, L, Kopec, J, Szykowska, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K.
登録日2016-09-08
公開日2017-09-20
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide
To be published
2W2J
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BU of 2w2j by Molmil
Crystal structure of the human carbonic anhydrase related protein VIII
分子名称: CARBONIC ANHYDRASE-RELATED PROTEIN, CHLORIDE ION, GLYCEROL, ...
著者Kramm, A, Muniz, J.R.C, Picaud, S.S, von Delft, F, Pilka, E.S, Yue, W.W, King, O.N.F, Kochan, G, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U.
登録日2008-10-31
公開日2009-02-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Human Carbonic Anhydrase-Related Protein Viii Reveals the Basis for Catalytic Silencing.
Proteins, 76, 2009
4BW5
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BU of 4bw5 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CADMIUM ION, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, ...
著者Pike, A.C.W, Dong, Y.Y, Dong, L, Quigley, A, Shrestha, L, Mukhopadhyay, S, Strain-Damerell, C, Goubin, S, Grieben, M, Shintre, C.A, Mackenzie, A, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N, Carpenter, E.P.
登録日2013-06-30
公開日2013-07-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献K2P Channel Gating Mechanisms Revealed by Structures of Trek-2 and a Complex with Prozac
Science, 347, 2015
4OGI
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BU of 4ogi by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor BI-2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Jose, B, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-01-16
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.
Nat.Chem.Biol., 10, 2014
4O46
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BU of 4o46 by Molmil
14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228
分子名称: 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ...
著者Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-18
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
4O61
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BU of 4o61 by Molmil
Structure of human ALKBH5 crystallized in the presence of citrate
分子名称: CITRIC ACID, GLYCEROL, RNA demethylase ALKBH5, ...
著者Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-20
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
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
4BGG
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BU of 4bgg by Molmil
Crystal structure of the ACVR1 kinase in complex with LDN-213844
分子名称: 1,2-ETHANEDIOL, 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine, ACTIVIN RECEPTOR TYPE-1, ...
著者Sanvitale, C, Canning, P, Cooper, C, Wang, Y, Mohedas, A.H, Choi, S, Yu, P.B, Cuny, G.D, Nowak, R, Coutandin, D, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2013-03-26
公開日2013-04-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structure-Activity Relationship of 3,5-Diaryl-2-Aminopyridine Alk2 Inhibitors Reveals Unaltered Binding Affinity for Fibrodysplasia Ossificans Progressiva Causing Mutants.
J.Med.Chem., 57, 2014
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
4AAA
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BU of 4aaa by Molmil
Crystal structure of the human CDKL2 kinase domain
分子名称: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CYCLIN-DEPENDENT KINASE-LIKE 2
著者Canning, P, Vollmar, M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2011-11-30
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
5LF8
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BU of 5lf8 by Molmil
Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17)
分子名称: ETHYL MERCURY ION, Nucleoside diphosphate-linked moiety X motif 17, PHOSPHATE ION
著者Mathea, S, Tallant, C, Salah, E, Wang, D, Velupillai, S, Nowak, R, Oerum, S, Krojer, T, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
登録日2016-06-30
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17)
To Be Published
4TLG
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BU of 4tlg by Molmil
Crystal structure of SEC14-like protein 4 (SEC14L4)
分子名称: 1,2-ETHANEDIOL, SEC14-like protein 4, UNDECANOIC ACID
著者Vollmar, M, Kopec, J, Kiyani, W, Shrestha, L, Sorrell, F, Krojer, T, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-05-29
公開日2014-07-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of SEC14-like protein 4 (SEC14L4)
To Be Published
4OCT
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BU of 4oct by Molmil
Crystal structure of human ALKBH5 crystallized in the presence of Mn^{2+} and 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5, ...
著者Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-01-09
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
3MTS
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BU of 3mts by Molmil
Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1
分子名称: Histone-lysine N-methyltransferase SUV39H1
著者Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
3N3K
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BU of 3n3k by Molmil
The catalytic domain of USP8 in complex with a USP8 specific inhibitor
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION
著者Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2010-05-20
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
2WGH
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BU of 2wgh by Molmil
Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg.
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Welin, R.M, 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, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P.
登録日2009-04-19
公開日2009-05-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
2WD9
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BU of 2wd9 by Molmil
CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH IBUPROFEN
分子名称: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, IBUPROFEN, ...
著者Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
登録日2009-03-21
公開日2009-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A.
J.Mol.Biol., 388, 2009
4AZE
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BU of 4aze by Molmil
Human DYRK1A in complex with Leucettine L41
分子名称: 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A
著者Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S.
登録日2012-06-25
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
4BBM
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BU of 4bbm by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN WITH BOUND TCS 2312
分子名称: 1,2-ETHANEDIOL, 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL, CHLORIDE ION, ...
著者Canning, P, Elkins, J.M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A.
登録日2012-09-26
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
4BGQ
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BU of 4bgq by Molmil
Crystal structure of the human CDKL5 kinase domain
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CYCLIN-DEPENDENT KINASE-LIKE 5, ...
著者Canning, P, Krojer, T, Goubin, S, Mahajan, P, Vollmar, M, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-03-28
公開日2013-05-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
4AZF
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BU of 4azf by Molmil
Human DYRK2 in complex with Leucettine L41
分子名称: 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ...
著者Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S.
登録日2012-06-25
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B.
J.Med.Chem., 55, 2012
2W4Q
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BU of 2w4q by Molmil
Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary complex with NADP and 18beta-glycyrrhetinic acid
分子名称: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2, ...
著者Shafqat, N, Yue, W.W, Ugochukwu, E, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2008-11-30
公開日2009-01-20
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 Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
2WWP
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BU of 2wwp by Molmil
Crystal structure of the human lipocalin-type prostaglandin D synthase
分子名称: CHLORIDE ION, PROSTAGLANDIN-H2 D-ISOMERASE, THIOCYANATE ION
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 Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-10-26
公開日2010-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Dynamic Insights Into Substrate Binding and Catalysis of Human Lipocalin Prostaglandin D Synthase.
J.Lipid Res., 54, 2013
2XS6
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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
3ZDU
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Crystal structure of the human CDKL3 kinase domain
分子名称: 1,2-ETHANEDIOL, CYCLIN-DEPENDENT KINASE-LIKE 3, SODIUM ION, ...
著者Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Pike, A.C.W, Quigley, A, MacKenzie, A, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2012-11-30
公開日2013-03-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018

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