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5TZ3
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CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX with [1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-N-(naphthalene-2-yl)piperidine-3-carboxamide
分子名称: (3~{R})-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-~{N}-naphthalen-2-yl-piperidine-3-carboxamide, MAGNESIUM ION, ZINC ION, ...
著者Xu, R, Aertgeerts, K.
登録日2016-11-21
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
3KMP
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Crystal Structure of SMAD1-MH1/DNA complex
分子名称: 5'-D(P*AP*TP*CP*AP*GP*TP*CP*TP*AP*GP*AP*CP*AP*TP*A)-3', 5'-D(P*GP*TP*AP*TP*GP*TP*CP*TP*AP*GP*AP*CP*TP*GP*A)-3', GLYCEROL, ...
著者Baburajendran, N, Palasingam, P, Narasimhan, K, Jauch, R, Kolatkar, P.R.
登録日2009-11-11
公開日2010-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of Smad1 MH1/DNA complex reveals distinctive rearrangements of BMP and TGF-beta effectors.
Nucleic Acids Res., 38, 2010
5K55
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BU of 5k55 by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate
分子名称: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2016-05-23
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Structural studies of human muscle FBPase
To Be Published
3L1M
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Crystal Structure of a Ni-directed Dimer of Cytochrome cb562 with a Quinolate-Histidine Hybrid Coordination Motif
分子名称: N-(8-hydroxyquinolin-5-yl)acetamide, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Radford, R.J, Tezcan, F.A.
登録日2009-12-13
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Controlled protein dimerization through hybrid coordination motifs.
Inorg.Chem., 49, 2010
3KHE
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Crystal structure of the calcium-loaded calmodulin-like domain of the CDPK, 541.m00134 from toxoplasma gondii
分子名称: CALCIUM ION, Calmodulin-like domain protein kinase isoform 3, GLYCEROL, ...
著者Wernimont, A.K, Hutchinson, A, Artz, J.D, Mackenzie, F, Cossar, D, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Amani, M, Structural Genomics Consortium (SGC)
登録日2009-10-30
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of parasitic CDPK domains point to a common mechanism of activation.
Proteins, 79, 2011
5U6I
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Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity
分子名称: 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
著者Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W.
登録日2016-12-08
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
2QKY
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complex structure of dipeptidyl peptidase IV and a oxadiazolyl ketone
分子名称: 2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol, Dipeptidyl peptidase 4 (EC 3.4.14.5) (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP) (Dipeptidyl peptidase 4 soluble form) (Dipeptidyl peptidase IV soluble form)
著者Kim, K.-H, Hong, S.Y, Koo, K.D, Lee, C.-S, Kim, G.T, Han, H.O.
登録日2007-07-12
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Synthesis, SAR, and X-ray structure of novel potent DPPIV inhibitors: oxadiazolyl ketones.
Bioorg.Med.Chem.Lett., 17, 2007
3L2B
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BU of 3l2b by Molmil
Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with activator, diadenosine tetraphosphate
分子名称: BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase
著者Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R.
登録日2009-12-15
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate.
J.Mol.Biol., 2010
5U00
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CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluoro-3-iodophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
分子名称: MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluoro-3-iodophenyl)methanone, ...
著者Xu, R, Aertgeerts, K.
登録日2016-11-22
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
3KI6
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Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with inhibitor GP-L
分子名称: 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one, Cholix toxin
著者Jorgensen, R, Edwards, P.R, Merrill, A.R.
登録日2009-10-31
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structure function analysis of soluble inhibitors of cholix toxin from Vibrio cholerae
To be Published
5U4I
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Structural Basis of Co-translational Quality Control by ArfA and RF2 Bound to Ribosome
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Zeng, F, Chen, Y, Remis, J, Shekhar, M, Phillips, J.C, Tajkhorshid, E, Jin, H.
登録日2016-12-04
公開日2017-01-11
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of co-translational quality control by ArfA and RF2 bound to ribosome.
Nature, 541, 2017
2R1T
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dopamine quinone conjugation to DJ-1
分子名称: DJ-1
著者Zhongtao, Z, Yue, F.
登録日2007-08-23
公開日2008-08-26
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献DJ-1 is a proisopeptidase
To be Published
3KK9
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CaMKII Substrate Complex B
分子名称: Calcium/calmodulin dependent protein kinase II
著者Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H.
登録日2009-11-04
公開日2010-02-09
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (3.206 Å)
主引用文献Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation.
Nat.Struct.Mol.Biol., 17, 2010
3KKG
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BU of 3kkg by Molmil
Crystal structure of Putative SnoaL-like polyketide cyclase (YP_509242.1) from Jannaschia Sp. CCS1 at 1.40 A resolution
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Putative SnoaL-like polyketide cyclase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-11-05
公開日2009-12-01
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of Putative SnoaL-like polyketide cyclase (YP_509242.1) from Jannaschia Sp. CCS1 at 1.40 A resolution
To be published
3L3N
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BU of 3l3n by Molmil
Testis ACE co-crystal structure with novel inhibitor lisW
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ...
著者Watermeyer, J.M, Kroger, W.L, O'Neil, H.G, Sewell, B.T, Sturrock, E.D.
登録日2009-12-17
公開日2010-04-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of domain-selective inhibitor binding in angiotensin-converting enzyme using a novel derivative of lisinopril.
Biochem.J., 428, 2010
3L44
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Crystal structure of Bacillus anthracis HemL-1, glutamate semialdehyde aminotransferase
分子名称: Glutamate-1-semialdehyde 2,1-aminomutase 1
著者Anderson, S.M, Wawrzak, Z, Gordon, E, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-12-18
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Bacillus anthracis HemL-1, glutamate semialdehyde aminotransferase
TO BE PUBLISHED
3L4O
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BU of 3l4o by Molmil
Crystal Structure of the MauG/pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide
分子名称: ACETATE ION, CALCIUM ION, HEME C, ...
著者Jensen, L.M.R, Wilmot, C.M.
登録日2009-12-21
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献In crystallo posttranslational modification within a MauG/pre-methylamine dehydrogenase complex.
Science, 327, 2010
3KDF
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X-ray Crystal Structure of the Human Replication Protein A Complex from Wheat Germ Cell Free Expression
分子名称: 1,2-ETHANEDIOL, Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit
著者Burgie, E.S, Bingman, C.A, Phillips Jr, G.N, Fox, B.G, Makino, S.-I, Center for Eukaryotic Structural Genomics (CESG)
登録日2009-10-22
公開日2009-12-01
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献X-ray Crystal Structure of the Human Replication Protein A Complex from Wheat Germ Cell Free Expression
To be Published
2R45
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BU of 2r45 by Molmil
Crystal structure of Escherichia coli Glycerol-3-phosphate Dehydrogenase in complex with 2-phospho-d-glyceric acid
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, Aerobic glycerol-3-phosphate dehydrogenase, ...
著者Yeh, J.I, Du, S, Chinte, U.
登録日2007-08-30
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism
Proc.Natl.Acad.Sci.USA, 105, 2008
3KEU
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Crystal Structure of Human PL Kinase with bound PLP and ATP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Safo, M.K, Gandhi, A.K, Musayev, F.N.
登録日2009-10-26
公開日2009-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PL kinase in complex with MgATP and PLP: Structural basis of severe induced MgATP substrate inhibition of the enzyme
To be Published
3KL7
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Crystal structure of Putative metal-dependent hydrolase (YP_001302908.1) from Parabacteroides distasonis ATCC 8503 at 2.30 A resolution
分子名称: ACETATE ION, GLYCEROL, Putative metal-dependent hydrolase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-11-06
公開日2010-02-02
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Putative metal-dependent hydrolase (YP_001302908.1) from Parabacteroides distasonis ATCC 8503 at 2.30 A resolution
To be published
5TZC
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Crystal Structure of human PDE2a in complex with (5S)-1-[(3-bromo-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
分子名称: (3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone, MAGNESIUM ION, ZINC ION, ...
著者Xu, R, Aertgeerts, K.
登録日2016-11-21
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
3KGT
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V30M mutant human transthyretin (TTR) complexed with genistein (V30M:GEN) pH 7.5
分子名称: GENISTEIN, Transthyretin
著者Trivella, D.B, Polikarpov, I.
登録日2009-10-29
公開日2010-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
3KH7
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Crystal structure of the periplasmic soluble domain of reduced CcmG from Pseudomonas aeruginosa
分子名称: Thiol:disulfide interchange protein dsbE
著者Di Matteo, A, Calosci, N, Gianni, S, Jemth, P, Brunori, M, Travaglini Allocatelli, C.
登録日2009-10-30
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional characterization of CcmG from Pseudomonas aeruginosa, a key component of the bacterial cytochrome c maturation apparatus.
Proteins, 78, 2010
3KN1
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Crystal Structure of Golgi Phosphoprotein 3 N-term Truncation Variant
分子名称: Golgi phosphoprotein 3, SULFATE ION
著者Schmitz, K.R, Bessman, N.J, Setty, T.G, Ferguson, K.M.
登録日2009-11-11
公開日2009-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献PtdIns4P recognition by Vps74/GOLPH3 links PtdIns 4-kinase signaling to retrograde Golgi trafficking.
J.Cell Biol., 187, 2009

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