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PDB: 215 件
6SRR
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Crystal structure of human SHIP2 catalytic domain
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
著者Whitfield, H, Brearley, C.A, Hemmings, A.M.
登録日2019-09-05
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Allosteric Site on SHIP2 Identified Through Fluorescent Ligand Screening and Crystallography: A Potential New Target for Intervention.
J.Med.Chem., 64, 2021
7PUP
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BU of 7pup by Molmil
INOSITOL 1,3,4-TRISPHOSPHATE 5/6-KINASE 4 from Arabidopsis thaliana (AtITPK4) in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Inositol 1,3,4-trisphosphate 5/6-kinase 4
著者Whitfield, H, He, S, Brearley, C.A, Hemmings, A.M.
登録日2021-09-30
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Diversification in the inositol tris/tetrakisphosphate kinase (ITPK) family: crystal structure and enzymology of the outlier AtITPK4.
Biochem.J., 480, 2023
6GFG
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Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with D-chiro-IP6 and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Inositol-pentakisphosphate 2-kinase, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-04-30
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
6GFH
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BU of 6gfh by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-04-30
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
6GIZ
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BU of 6giz by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - SUBSTRATE COMPLEX
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-15
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6GJ2
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PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - COMPLEX WITH INOSITOL HEXASULPHATE
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-15
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6GJ9
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BU of 6gj9 by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - REGENERATION COMPLEX
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-16
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of a cereal purple acid phytase provides insights to phytate degradation in plants
To Be Published
6GIT
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BU of 6git by Molmil
PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - PRODUCT COMPLEX
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-15
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.418 Å)
主引用文献Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
7R5Y
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Crystal Structure of Prevotella sp. CAG:617 Multiple Inositol Polyphosphate Phosphatase, complex with myo-inositol hexakissulfate
分子名称: D-MYO-INOSITOL-HEXASULPHATE, Histidine acid phosphatase, SULFATE ION
著者Acquistapace, I.M, Brearley, C.A, Hemmings, A.M.
登録日2022-02-12
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal Structure of Prevotella sp. CAG:617 Multiple Inositol Polyphosphate Phosphatase, complex with myo-inositol hexakissulfate
To Be Published
5IU1
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BU of 5iu1 by Molmil
N-terminal PAS domain homodimer of PpANR MAP3K from Physcomitrella patens.
分子名称: CTR1-like protein, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Stevenson, R.R, Trinh, C.H, Edwards, T.A, Cuming, A.C.
登録日2016-03-17
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Genetic Analysis of Physcomitrella patens Identifies ABSCISIC ACID NON-RESPONSIVE, a Regulator of ABA Responses Unique to Basal Land Plants and Required for Desiccation Tolerance.
Plant Cell, 28, 2016
6GJA
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PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - H229A MUTANT
分子名称: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M.
登録日2018-05-16
公開日2019-11-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
6FL8
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BU of 6fl8 by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP
分子名称: 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-01-25
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
7SCD
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BU of 7scd by Molmil
Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-1 octasaccharide substrate and co-factor product PAP
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5
著者Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C.
登録日2021-09-27
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate
Acs Catalysis, 11, 2021
7SCE
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BU of 7sce by Molmil
Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-2 octasaccharide substrate and co-factor product PAP
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5
著者Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C.
登録日2021-09-27
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate
Acs Catalysis, 11, 2021
6FL3
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BU of 6fl3 by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-01-25
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
6FJK
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BU of 6fjk by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ...
著者Whitfield, H.L, Brearley, C.A, Hemmings, A.M.
登録日2018-01-22
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.025 Å)
主引用文献A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
8EZR
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BU of 8ezr by Molmil
Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, native protein
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, HipS(Lp), ...
著者Stogios, P.J, Skarina, T, Michalska, K, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-11-01
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, native protein
To Be Published
4JOA
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BU of 4joa by Molmil
Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor
分子名称: 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor
著者Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A.
登録日2013-03-18
公開日2013-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode
Bioorg.Med.Chem.Lett., 23, 2013
6SQU
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BU of 6squ by Molmil
Crystal structure of human SHIP2 catalytic domain in complex with 1,2,4 Dimer
分子名称: 5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
著者Whitfield, H, Brearley, C.A, Hemmings, A.M.
登録日2019-09-04
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Allosteric Site on SHIP2 Identified Through Fluorescent Ligand Screening and Crystallography: A Potential New Target for Intervention.
J.Med.Chem., 64, 2021
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
5ZXI
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BU of 5zxi by Molmil
Co-crystal structure of an Inhibitor in complex with human PPARdelta LBD
分子名称: 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta
著者Rani, S.T, Laxminarasimhan, A, Senaiar, R.S, Krishnamurthy, N.
登録日2018-05-21
公開日2019-04-03
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective PPAR delta Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD).
ACS Med Chem Lett, 9, 2018
6U9I
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BU of 6u9i by Molmil
Crystal structure of BvnE pinacolase from Penicillium brevicompactum
分子名称: BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S.
登録日2019-09-09
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Fungal-derived brevianamide assembly by a stereoselective semipinacolase.
Nat Catal, 3, 2020
6AH9
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BU of 6ah9 by Molmil
Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and Triclosan
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Rani, S.T, Nataraj, V, Laxminarasimhan, A, Thomas, A, Krishnamurthy, N.
登録日2018-08-17
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and Triclosan
To Be Published
8EZT
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BU of 8ezt by Molmil
Crystal structure of HipB(Lp) from Legionella pneumophila
分子名称: CHLORIDE ION, HipB(Lp)
著者Stogios, P.J, Skarina, T, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-11-01
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of HipB(Lp) from Legionella pneumophila
To Be Published
8EZS
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BU of 8ezs by Molmil
Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein
分子名称: CHLORIDE ION, HipS(Lp), HipT(Lp)
著者Stogios, P.J, Skarina, T, Michalska, K, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-11-01
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein
To Be Published

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