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6YAX
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BU of 6yax by Molmil
Crystal structure of CD32b (Fc Gamma Receptor IIb) in complex with Human IgG1 Fab fragment (5C05)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5C05 F(ab) heavy chain, ...
著者Fisher, H, Tews, I, Orr, C.
登録日2020-03-14
公開日2021-10-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of CD32b (Fc Gamma Receptor IIb) in complex with Human IgG1 Fab fragment (5C05)
To Be Published
7ZVF
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BU of 7zvf by Molmil
Crystal structure of human cathepsin L in complex with covalently bound CLIK148
分子名称: (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide, 1,2-ETHANEDIOL, Cathepsin L, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Tsuge, H, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-05-15
公開日2023-11-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
6YD3
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BU of 6yd3 by Molmil
X-ray structure of furin in complex with the canavanine derived inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba
分子名称: 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O.
登録日2020-03-20
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
6LJM
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BU of 6ljm by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13
分子名称: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-SER-LEU-GLY-SLL, NAD-dependent protein deacylase sirtuin-5, ...
著者Chen, Q, Yu, Y.
登録日2019-12-17
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
7T21
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BU of 7t21 by Molmil
E. coli DnaB bound to ssDNA and ADP-AlF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
著者Oakley, A.J, Xu, Z.Q.
登録日2021-12-02
公開日2023-01-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
6HOY
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BU of 6hoy by Molmil
Human Sirt6 in complex with ADP-ribose and the inhibitor trichostatin A
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
著者You, W, Steegborn, C.
登録日2018-09-18
公開日2018-11-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development.
J.Med.Chem., 61, 2018
7T23
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BU of 7t23 by Molmil
E. coli DnaB bound to two DnaG C-terminal domains, ssDNA, ADP and AlF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA primase, ...
著者Oakley, A.J, Xu, Z.Q.
登録日2021-12-02
公開日2023-01-18
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
7T22
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BU of 7t22 by Molmil
E. coli DnaB bound to three DnaG C-terminal domains, ssDNA, ADP and AlF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA primase, ...
著者Oakley, A.J, Xu, Z.Q.
登録日2021-12-02
公開日2023-01-18
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
6RNC
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BU of 6rnc by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 - 100ms diffusion time.
分子名称: 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, CHLORIDE ION, Lysozyme C, ...
著者Mehrabi, P, Schulz, E.C, Miller, R.J.D.
登録日2019-05-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
7TAY
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Bos Taurus Mitochondrial BC1 in complex with Pyramoxadone
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ...
著者Xia, D, Zhou, F, Esser, L.
登録日2021-12-21
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformation Switch of Rieske ISP subunit is revealed by the Crystal Structure of Bacterial Cytochrome bc1 in Complex with Azoxystrobin
to be published
6RM9
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BU of 6rm9 by Molmil
Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Hamann, F, Neumann, P, Ficner, R.
登録日2019-05-06
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RNB
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BU of 6rnb by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 50ms diffusion time
分子名称: 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, CHLORIDE ION, Lysozyme C, ...
著者Mehrabi, P, Schulz, E.C, Miller, R.J.D.
登録日2019-05-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
7SPQ
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BU of 7spq by Molmil
Crystal structure of Burkholderia glumae toxoflavin biosynthesis protein ToxD
分子名称: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
著者Fenwick, M.K, Philmus, B, Ealick, S.E.
登録日2021-11-03
公開日2023-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Burkholderia glumae toxoflavin biosynthesis protein ToxD
To Be Published
8Q3L
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BU of 8q3l by Molmil
Human Gamma-D Crystallin R36S fresh serial crystallographic structure
分子名称: Gamma-crystallin D
著者Yorke, B.A, Hill, J.A.
登録日2023-08-04
公開日2024-04-17
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An ultraviolet-driven rescue pathway for oxidative stress to eye lens protein human gamma-D crystallin.
Commun Chem, 7, 2024
5IX0
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BU of 5ix0 by Molmil
HDAC2 WITH LIGAND BRD7232
分子名称: (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ...
著者Steinbacher, S.
登録日2016-03-23
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors.
Bioorg.Med.Chem., 24, 2016
1AFC
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BU of 1afc by Molmil
STRUCTURAL STUDIES OF THE BINDING OF THE ANTI-ULCER DRUG SUCROSE OCTASULFATE TO ACIDIC FIBROBLAST GROWTH FACTOR
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR
著者Zhu, X, Hsu, B.T, Rees, D.C.
登録日1993-07-13
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of the binding of the anti-ulcer drug sucrose octasulfate to acidic fibroblast growth factor.
Structure, 1, 1993
5IWG
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BU of 5iwg by Molmil
HDAC2 WITH LIGAND BRD4884
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Steinbacher, S.
登録日2016-03-22
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors.
Bioorg.Med.Chem., 24, 2016
5LPK
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BU of 5lpk by Molmil
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
分子名称: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
著者Huegle, M, Wohlwend, D.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
6HKR
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BU of 6hkr by Molmil
Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271.
分子名称: 1,2-ETHANEDIOL, 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2, ...
著者Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E.
登録日2018-09-07
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins.
ACS Med Chem Lett, 9, 2018
6RMB
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BU of 6rmb by Molmil
Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative mRNA splicing factor, ...
著者Hamann, F, Neumann, P, Ficner, R.
登録日2019-05-06
公開日2020-02-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Proc.Natl.Acad.Sci.USA, 117, 2020
5J5Y
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BU of 5j5y by Molmil
Translation initiation factor 4E in complex with m2(7,2'O)GppCCl2ppG mRNA 5' cap analog
分子名称: 2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate, Eukaryotic translation initiation factor 4E, GLYCEROL
著者Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M.
登録日2016-04-04
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Nucleic Acids Res., 45, 2017
5LK4
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BU of 5lk4 by Molmil
Structure of the Red Fluorescent Protein mScarlet at pH 7.8
分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, TETRAETHYLENE GLYCOL, ...
著者Aumonier, S, Gotthard, G, Royant, A.
登録日2016-07-20
公開日2016-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献mScarlet: a bright monomeric red fluorescent protein for cellular imaging.
Nat. Methods, 14, 2017
5LYP
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BU of 5lyp by Molmil
Crystal structure of the Tpr Domain of Sgt2.
分子名称: BORATE ION, Small glutamine-rich tetratricopeptide repeat-containing protein 2
著者Krysztofinska, E.M, Morgan, R.M.L, Thapaliya, A, Evans, N.J, Murray, J.W, Martinez-Lumbreras, S, Isaacson, R.L.
登録日2016-09-28
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
7TQ7
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BU of 7tq7 by Molmil
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c
分子名称: N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL
著者Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2022-01-26
公開日2022-02-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
5LZ9
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Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ...
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016

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