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5EYH
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BU of 5eyh by Molmil
Crystal Structure of IMPase/NADP phosphatase complexed with NADP and Ca2+ at pH 7.0
分子名称: CALCIUM ION, GLYCEROL, Inositol monophosphatase, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2015-11-25
公開日2015-12-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
7X8K
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BU of 7x8k by Molmil
Arabidopsis GDP-D-mannose pyrophosphorylase (VTC1) structure (product-bound)
分子名称: CITRATE ANION, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, Mannose-1-phosphate guanylyltransferase 1, ...
著者Zhao, S, Zhang, C, Liu, L.
登録日2022-03-13
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Arabidopsis thaliana GDP-D-Mannose Pyrophosphorylase VITAMIN C DEFECTIVE 1.
Front Plant Sci, 13, 2022
5EYG
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BU of 5eyg by Molmil
Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2015-11-25
公開日2015-12-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
3NSN
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BU of 3nsn by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with TMG-chitotriomycin
分子名称: 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase
著者Zhang, H, Liu, T, Liu, F, Yang, Q, Shen, X.
登録日2010-07-02
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Determinants of an Insect {beta}-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme
J.Biol.Chem., 286, 2011
5CBT
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BU of 5cbt by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, POTASSIUM ION, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-01
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
4HIV
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BU of 4hiv by Molmil
Structure of actinomycin D d(ATGCGGCAT) complex
分子名称: ACTINOMYCIN D, DNA (5'-D(*AP*TP*GP*CP*GP*GP*CP*AP*T)-3')
著者Lo, Y.S, Tseng, W.H, Hou, M.H.
登録日2012-10-12
公開日2013-05-08
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structural basis of actinomycin D-binding induces nucleotide flipping out, a sharp bend and a left-handed twist in CGG triplet repeats.
Nucleic Acids Res., 41, 2013
3WQC
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BU of 3wqc by Molmil
D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23
分子名称: CHLORIDE ION, D-threo-3-hydroxyaspartate dehydratase, GLYCEROL, ...
著者Yasutake, Y, Matsumoto, Y, Wada, M.
登録日2014-01-25
公開日2015-01-28
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate
Appl.Microbiol.Biotechnol., 99, 2015
5CCR
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BU of 5ccr by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, POTASSIUM ION, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
3WAU
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BU of 3wau by Molmil
Crystal structure of 4-O-beta-D-mannosyl-D-glucose phosphorylase MGP complexed with M1P
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-O-phosphono-alpha-D-mannopyranose, 4-O-beta-D-mannosyl-D-glucose phosphorylase, ...
著者Nakae, S, Ito, S, Higa, M, Senoura, T, Wasaki, J, Hijikata, A, Shionyu, M, Ito, S, Shirai, T.
登録日2013-05-08
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of Novel Enzyme in Mannan Biodegradation Process 4-O-beta-d-Mannosyl-d-Glucose Phosphorylase MGP
J.Mol.Biol., 425, 2013
5CCN
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BU of 5ccn by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, POTASSIUM ION, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
2VNY
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BU of 2vny by Molmil
Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine
分子名称: 1-(9H-purin-6-yl)piperidin-4-amine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
登録日2008-02-08
公開日2008-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
5CF5
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BU of 5cf5 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.02,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
分子名称: N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Sack, J.S.
登録日2015-07-08
公開日2015-08-26
最終更新日2015-09-02
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5CCS
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BU of 5ccs by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: 1-(4-aminobenzyl)-3-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
2XH9
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BU of 2xh9 by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-06-09
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
4JCX
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BU of 4jcx by Molmil
Crystal structure of the Restriction-Modification Controller Protein C.Csp231I OL operator complex
分子名称: Csp231I C protein, DNA (5'-D(*AP*CP*AP*CP*TP*AP*AP*GP*GP*AP*AP*AP*AP*CP*TP*TP*AP*GP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*CP*TP*AP*AP*GP*TP*TP*TP*TP*CP*CP*TP*TP*AP*GP*TP*GP*T)-3')
著者Shevtsov, M.B, Streeter, S.D, Thresh, S.J, Mcgeehan, J.E, Kneale, G.G.
登録日2013-02-22
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of DNA binding by C.Csp231I, a member of a novel class of R-M controller proteins regulating gene expression.
Acta Crystallogr.,Sect.D, 71, 2015
5COM
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BU of 5com by Molmil
Crystal structure of Uncharacterized Protein Q187F5 from Clostridium difficile 630
分子名称: D(-)-TARTARIC ACID, Putative conjugative transposon protein Tn1549-like, CTn5-Orf2, ...
著者Taylor, J.D, Taylor, G, Matthews, S.J.
登録日2015-07-20
公開日2016-02-03
最終更新日2016-03-02
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of the DfsB Protein Family Suggest a Cationic, Helical Sibling Lethal Factor Peptide.
J.Mol.Biol., 428, 2016
5SYS
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BU of 5sys by Molmil
c-Src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor
分子名称: N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src
著者Dieter, E.M, Merritt, E.A, Maly, D.J.
登録日2016-08-11
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions
Mol.Cell, 2019
5CBW
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BU of 5cbw by Molmil
Human Cyclophilin D Complexed with Inhibitor.
分子名称: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-01
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor.
To Be Published
1QX1
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BU of 1qx1 by Molmil
Golgi alpha-mannosidase II D341N mutant complex with 2-F-mannosyl-F
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride, ...
著者Numao, S, Kuntz, D.A, Withers, S.G, Rose, D.R.
登録日2003-09-04
公開日2003-10-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Insights into the mechanism of Drosophila melanogaster Golgi alpha-mannosidase II through the structural analysis of covalent reaction intermediates.
J.Biol.Chem., 278, 2003
2VNW
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BU of 2vnw by Molmil
Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine
分子名称: 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
著者Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
登録日2008-02-08
公開日2008-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
1TEI
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BU of 1tei by Molmil
STRUCTURE OF CONCANAVALIN A COMPLEXED TO BETA-D-GLCNAC (1,2)ALPHA-D-MAN-(1,6)[BETA-D-GLCNAC(1,2)ALPHA-D-MAN (1,6)]ALPHA-D-MAN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, CONCANAVALIN A, ...
著者Naismith, J.H, Moothoo, D.N.
登録日1997-05-28
公開日1997-08-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Concanavalin A distorts the beta-GlcNAc-(1-->2)-Man linkage of beta-GlcNAc-(1-->2)-alpha-Man-(1-->3)-[beta-GlcNAc-(1-->2)-alpha-Man- (1-->6)]-Man upon binding.
Glycobiology, 8, 1998
5CF4
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BU of 5cf4 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
分子名称: N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Sack, J.S.
登録日2015-07-08
公開日2015-08-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5CCQ
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BU of 5ccq by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
4JCY
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BU of 4jcy by Molmil
Crystal structure of the Restriction-Modification Controller Protein C.Csp231I OR operator complex
分子名称: Csp231I C protein, DNA (5'-D(*AP*AP*AP*CP*TP*AP*AP*GP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*CP*TP*AP*AP*GP*AP*TP*TP*TP*TP*CP*TP*TP*AP*GP*TP*TP*T)-3'), ...
著者Shevtsov, M.B, Streeter, S.D, Thresh, S.J, Mcgeehan, J.E, Kneale, G.G.
登録日2013-02-22
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of DNA binding by C.Csp231I, a member of a novel class of R-M controller proteins regulating gene expression.
Acta Crystallogr.,Sect.D, 71, 2015
5CF6
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BU of 5cf6 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
分子名称: N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Sack, J.S.
登録日2015-07-08
公開日2015-08-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015

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