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8ER7
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FKBP12-FRB in Complex with Compound 12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8EGK
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Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120
分子名称: AZIDE ION, All4481 protein
著者Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M.
登録日2022-09-12
公開日2023-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
8EGZ
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Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
分子名称: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8EH0
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Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide
分子名称: 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8EH1
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Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline
分子名称: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
7P4O
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Crystal structure of Autotaxin and 9(R)-delta6a,10a-THC
分子名称: (9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ...
著者Eymery, M.C, McCarthy, A.A, Hausmann, J.
登録日2021-07-12
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling.
Life Sci Alliance, 6, 2023
7P4J
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Crystal structure of Autotaxin and tetrahydrocannabinol
分子名称: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ...
著者Eymery, M.C, McCarthy, A.A, Hausmann, J.
登録日2021-07-11
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling.
Life Sci Alliance, 6, 2023
7PQE
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Structure of SidJ/CaM bound to SdeA in post-catalysis state
分子名称: CALCIUM ION, Calmodulin, Calmodulin-dependent glutamylase SidJ, ...
著者Adams, M, Bhogaraju, S.
登録日2021-09-17
公開日2021-10-06
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis for protein glutamylation by the Legionella pseudokinase SidJ.
Nat Commun, 12, 2021
7Q1C
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Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with a hydroxamate inhibitor
分子名称: (E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide, Histone deacetylase DAC2, POTASSIUM ION, ...
著者Ramos-Morales, E, Marek, M, Romier, C.
登録日2021-10-18
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2.
Cell Rep, 37, 2021
7PV9
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Listeria monocytogene InlB (internalin B) residues 36-392 (internalin domain and B-repeat)
分子名称: Internalin B
著者Geerds, C, Niemann, H.H.
登録日2021-10-01
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
7PV8
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InlB392_T332E: T332E variant of Listeria monocytogenes InlB (internalin B) residues 36-392
分子名称: 1,2-ETHANEDIOL, Internalin B, POTASSIUM ION
著者Geerds, C, Niemann, H.H.
登録日2021-10-01
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A recurring packing contact in crystals of InlB pinpoints functional binding sites in the internalin domain and the B repeat.
Acta Crystallogr D Struct Biol, 78, 2022
7PEK
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Crystal structure of Triosephosphate Isomerase C216A mutant from Schizosaccharomyces pombe (SpTIM C216A)
分子名称: GLYCEROL, PHOSPHATE ION, SODIUM ION, ...
著者Romero-Romero, S, Garza-Ramos, G.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of Triosephosphate Isomerase from Schizosaccharomyces pombe (SpTIM C216A)
To Be Published
7PEJ
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Crystal structure of Triosephosphate Isomerase from Schizosaccharomyces pombe (SpTIM wt)
分子名称: ACETATE ION, PHOSPHATE ION, SULFATE ION, ...
著者Romero-Romero, S, Garza-Ramos, G.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of Triosephosphate Isomerase from Schizosaccharomyces pombe (SpTIM wt)
To Be Published
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
分子名称: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPN
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SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
分子名称: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPL
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SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636)
分子名称: ETHANOL, GLYCEROL, Insulin receptor substrate 1, ...
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7QB4
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BU of 7qb4 by Molmil
Mus Musculus Acetylcholinesterase in complex with 7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
著者Ekstrom, F.J, Forsgren, N.
登録日2021-11-18
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.500011 Å)
主引用文献Dual Reversible Coumarin Inhibitors Mutually Bound to Monoamine Oxidase B and Acetylcholinesterase Crystal Structures.
Acs Med.Chem.Lett., 13, 2022
7QFX
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Crystal structure of Old Yellow Enzyme AnOYE8 from Aspergillus niger
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN MONONUCLEOTIDE, NADH-dependent flavin oxidoreductase, ...
著者Robescu, M.S, Loprete, G, Vascon, F, Gasparotto, M, Filippini, F, Bergantino, E, Cendron, L.
登録日2021-12-06
公開日2022-04-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Family Keeps on Growing: Four Novel Fungal OYEs Characterized.
Int J Mol Sci, 23, 2022
7Q7F
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Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7N
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Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 120 MPa helium gas pressure in a sapphire capillary
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7G
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Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 30 MPa helium gas pressure in a sapphire capillary
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7O
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Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure after high helium gas pressure release
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7H
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Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 51 MPa helium gas pressure in a sapphire capillary
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7M
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Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 100 MPa helium gas pressure in a sapphire capillary
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
7Q7J
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Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 75 MPa helium gas pressure in a sapphire capillary
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published

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件を2024-08-28に公開中

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