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PDB: 53266 件

7NF3
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Structure of A. niger Fdc T395M variant (AnFdcI) in complex with prFMN
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Saaret, A, Leys, D.
登録日2021-02-05
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production.
Nat Commun, 12, 2021
6OJD
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A high-resolution crystal structure of covalent complex of NocB thioesterase domain with fluorophosphonate nocardicin G analog
分子名称: (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid, CALCIUM ION, GLYCEROL, ...
著者Patel, K.D, Gulick, A.M.
登録日2019-04-11
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
7NEY
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Structure of T. atroviride Fdc wild-type (TaFdc) in complex with prFMN
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Saaret, A, Leys, D.
登録日2021-02-05
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production.
Nat Commun, 12, 2021
8TDU
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STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha
分子名称: N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J.
登録日2023-07-05
公開日2023-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
7NJ1
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CryoEM structure of the human Separase-Securin complex
分子名称: Securin, Separin
著者Yu, J, Raia, P, Ghent, C.M, Raisch, T, Sadian, Y, Barford, D, Raunser, S, Morgan, D.O, Boland, A.
登録日2021-02-14
公開日2021-08-04
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of human separase regulation by securin and CDK1-cyclin B1.
Nature, 596, 2021
7NLD
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Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
分子名称: N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide, Programmed cell death 1 ligand 1
著者Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A.
登録日2021-02-22
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
6XG4
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X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim
分子名称: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
著者Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
登録日2020-06-16
公開日2021-03-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
6XG5
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X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim
分子名称: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
著者Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
登録日2020-06-16
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
6X6F
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The structure of Pf6r from the filamentous phage Pf6 of Pseudomonas aeruginosa PA01
分子名称: NITRATE ION, Pf6r
著者Michie, K.A, Norrian, P, Duggin, I.G, McDougald, D, Rice, S.A.
登録日2020-05-28
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献The Repressor C Protein, Pf4r, Controls Superinfection of Pseudomonas aeruginosa PAO1 by the Pf4 Filamentous Phage and Regulates Host Gene Expression.
Viruses, 13, 2021
5LRC
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Crystal structure of Glycogen Phosphorylase in complex with KS114
分子名称: (1S)-1,5-anhydro-1-(5-phenyl-4H-1,2,4-triazol-3-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ...
著者Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D.
登録日2016-08-18
公開日2017-06-14
最終更新日2020-08-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献van der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase.
J. Struct. Biol., 199, 2017
8T27
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Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 6'-Sialyllactose (only Neu5Ac visible)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ...
著者Clark, N.D, Malkowski, M.G.
登録日2023-06-05
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8T26
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Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352) D219A mutant bound to 3'-Sialyllactose (only Neu5Ac visible)
分子名称: DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, Sialidase, ...
著者Clark, N.D, Malkowski, M.G.
登録日2023-06-05
公開日2023-10-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
8EZX
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BU of 8ezx by Molmil
Lysozyme Anomalous Dataset at 293 K and 7.1 keV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Doukov, T, Yabukarski, F, Herschlag, D.
登録日2022-11-01
公開日2023-03-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8F0B
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BU of 8f0b by Molmil
Lysozyme Anomalous Dataset at 240 K and 7.1 keV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Doukov, T, Yabukarski, F, Herschlag, D.
登録日2022-11-02
公開日2023-03-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
6ZW8
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BU of 6zw8 by Molmil
Isopenicillin N synthase in complex with Cd and ACV.
分子名称: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-07-27
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
4Y2D
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BU of 4y2d by Molmil
Crystal structure of the mCD1d/7DW8-5/iNKTCR ternary complex
分子名称: 11-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]undecanamide, 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Zajonc, D.M, Yu, E.D.
登録日2015-02-09
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells
To Be Published
8F00
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BU of 8f00 by Molmil
Lysozyme Anomalous Dataset at 293 K and 12 keV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Doukov, T, Yabukarski, F, Herschlag, D.
登録日2022-11-01
公開日2023-03-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8EZU
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BU of 8ezu by Molmil
Lysozyme Anomalous Dataset at 273 K and 7.1 keV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Doukov, T, Yabukarski, F, Herschlag, D.
登録日2022-11-01
公開日2023-03-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
8EZP
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BU of 8ezp by Molmil
Lysozyme Anomalous Dataset at 260 K and 7.1 keV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Doukov, T, Yabukarski, F, Herschlag, D.
登録日2022-11-01
公開日2023-03-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
6OP2
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BU of 6op2 by Molmil
Selenium incorporated FeMo-cofactor of nitrogenase from azotobacter vinelandii at high concentration of selenium
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
著者Arias, R.J, Rees, D.C.
登録日2019-04-24
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Localized Electronic Structure of Nitrogenase FeMoco Revealed by Selenium K-Edge High Resolution X-ray Absorption Spectroscopy.
J.Am.Chem.Soc., 141, 2019
6RUS
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BU of 6rus by Molmil
Structure of a functional properdin monomer
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, Properdin, SULFATE ION, ...
著者Pedersen, D.V, Andersen, G.R.
登録日2019-05-29
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Properdin Oligomerization and Convertase Stimulation in the Human Complement System.
Front Immunol, 10, 2019
7Q21
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BU of 7q21 by Molmil
III2-IV2 respiratory supercomplex from Corynebacterium glutamicum
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Kovalova, T, Moe, A, Krol, S, Yanofsky, D.J, Bott, M, Sjostrand, D, Rubinstein, J.L, Hogbom, M, Brzezinski, P.
登録日2021-10-22
公開日2022-02-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The respiratory supercomplex from C. glutamicum.
Structure, 30, 2022
6XLC
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BU of 6xlc by Molmil
Full-length Hsc82 bound to AMPPNP
分子名称: ATP-dependent molecular chaperone HSC82, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A.
登録日2020-06-28
公開日2021-06-30
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Full-length Hsc82 bound to AMPPNP
To Be Published
6XLB
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BU of 6xlb by Molmil
Apo full-length Hsc82 in complex with Aha1
分子名称: ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1
著者Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A.
登録日2020-06-28
公開日2021-06-30
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Apo full-length Hsc82 in complex with Aha1
To Be Published
5LMA
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BU of 5lma by Molmil
HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Tyrosine-protein kinase SYK, ...
著者Somers, D.O, Neu, M.
登録日2016-07-29
公開日2016-09-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016

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件を2024-09-04に公開中

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