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PDB: 12920 件

8H4R
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The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, G1/S-specific cyclin-E1, ...
著者Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y, Ouyang, Z.
登録日2022-10-11
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus
To Be Published
2V87
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Crystal structure of RAG2-PHD finger in complex with H3R2me2sK4me3 peptide
分子名称: HISTONE H3.2, VDJ RECOMBINATION-ACTIVATING PROTEIN 2, ZINC ION
著者Ramon-Maiques, S, Yang, W.
登録日2007-08-02
公開日2007-12-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Plant Homeodomain Finger of Rag2 Recognizes Histone H3 Methylated at Both Lysine-4 and Arginine-2.
Proc.Natl.Acad.Sci.USA, 104, 2007
5QPH
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PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000315a
分子名称: 4-(4-ethylcyclohexyl)morpholine, ACETATE ION, Farnesyl diphosphate synthase, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-04-04
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QPU
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PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000733a
分子名称: ACETATE ION, Farnesyl diphosphate synthase, N-[(4-phenyloxan-4-yl)methyl]acetamide, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QR2
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PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854
分子名称: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6FNT
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BU of 6fnt by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with pyrrolidinohistidine
分子名称: Histidine N-alpha-methyltransferase, Pyrrolidinohistidine
著者Vit, A, Blankenfeldt, W, Seebeck, F.P.
登録日2018-02-05
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
8CMZ
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BU of 8cmz by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, ZINC ION, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-21
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
6SI5
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T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one
分子名称: 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION
著者Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W.
登録日2019-08-08
公開日2020-08-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
8CN0
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BU of 8cn0 by Molmil
Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, ZINC ION, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-21
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
To Be Published
6SII
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BU of 6sii by Molmil
T. brucei FPPS in complex with 1-((1H-indol-3-yl)methyl)-N-(3-chlorobenzyl)piperidin-4-amine
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, ~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-08-09
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献T. brucei FPPS
To Be Published
8CNA
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BU of 8cna by Molmil
Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
分子名称: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.463 Å)
主引用文献Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
8CNC
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Structure of compound 1 bound KMT9
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein
著者Sheng, W.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure of compound 1 bound KMT9
To Be Published
5O2Y
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BU of 5o2y by Molmil
NMR structure of the calcium bound form of PulG, major pseudopilin from Klebsiella oxytoca T2SS
分子名称: CALCIUM ION, General secretion pathway protein G
著者Lopez-Castilla, A, Bardiaux, B, Vitorge, B, Thomassin, J.-L, Zheng, W, Yu, X, Egelman, E.H, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
登録日2017-05-23
公開日2017-10-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the calcium-dependent type 2 secretion pseudopilus.
Nat Microbiol, 2, 2017
6SKS
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BU of 6sks by Molmil
Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH1)
分子名称: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ...
著者Groves, M.R, Wang, W, van Oosterwijk, N.
登録日2019-08-16
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Target diazotransfer reagents to label metalloenzymes
To Be Published
8CND
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BU of 8cnd by Molmil
Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
分子名称: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
6FPK
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BU of 6fpk by Molmil
Co-translational folding intermediate dictates membrane targeting of the signal recognition particle (SRP)- receptor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Signal recognition particle receptor FtsY
著者Karniel, A, Mrusek, D, Steinchen, W, Dym, O, Bange, G, Bibi, E.
登録日2018-02-11
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Co-translational Folding Intermediate Dictates Membrane Targeting of the Signal Recognition Particle Receptor.
J. Mol. Biol., 430, 2018
8CNB
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BU of 8cnb by Molmil
Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, ZINC ION, histone acetyltransferase
著者Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F.
登録日2023-02-22
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
5YTK
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BU of 5ytk by Molmil
Crystal structure of SIRT3 bound to a leucylated AceCS2
分子名称: AceCS2-KLeu, LEUCINE, LYSINE, ...
著者Li, J, Gong, W, Xu, Y.
登録日2017-11-18
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Sensing and Transmitting Intracellular Amino Acid Signals through Reversible Lysine Aminoacylations
Cell Metab., 27, 2018
4L16
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BU of 4l16 by Molmil
Crystal structure of FIGL-1 AAA domain in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Fidgetin-like protein 1
著者Peng, W, Lin, Z, Li, W, Lu, J, Shen, Y, Wang, C.
登録日2013-06-02
公開日2013-09-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the unusually strong ATPase activity of the AAA domain of the Caenorhabditis elegans fidgetin-like 1 (FIGL-1) protein.
J.Biol.Chem., 288, 2013
8CNO
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Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2023-02-23
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
7BP2
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Structural mechanism directing nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
8CNM
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BU of 8cnm by Molmil
Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose
分子名称: 1,2-ETHANEDIOL, 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2023-02-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
4L7J
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BU of 4l7j by Molmil
Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1)
分子名称: 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M.
登録日2013-06-13
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
8CRO
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Cryo-EM structure of Pyrococcus furiosus transcription elongation complex
分子名称: DNA Non-Template Strand, DNA Template Strand, DNA-directed RNA polymerase subunit Rpo10, ...
著者Tarau, D.M, Grunberger, F, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D.
登録日2023-03-08
公開日2024-04-17
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
6FPR
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Co-translational folding intermediate dictates membrane targeting of the signal recognition particle (SRP)- receptor
分子名称: Signal recognition particle receptor FtsY
著者Karniel, A, Mrusek, D, Steinchen, W, Dym, O, Bange, G, Bibi, E.
登録日2018-02-12
公開日2018-05-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Co-translational Folding Intermediate Dictates Membrane Targeting of the Signal Recognition Particle Receptor.
J. Mol. Biol., 430, 2018

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件を2024-07-31に公開中

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