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PDB: 89111 件

5SA3
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434874
分子名称: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
4X8N
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Crystal structure of Ash2L SPRY domain in complex with phosphorylated RbBP5
分子名称: Retinoblastoma-binding protein 5, Set1/Ash2 histone methyltransferase complex subunit ASH2
著者Zhang, P, Chaturvedi, C.P, Brunzelle, J.S, Skiniotis, G, Brand, M, Shilatifard, A, Couture, J.-F.
登録日2014-12-10
公開日2015-01-28
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A phosphorylation switch on RbBP5 regulates histone H3 Lys4 methylation.
Genes Dev., 29, 2015
5S9W
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z26769872
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5SA1
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BU of 5sa1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434944
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9T
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1614545742
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
7WF4
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Composite map of human Kv1.3 channel in dalazatide-bound state with beta subunits
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, ...
著者Tyagi, A, Ahmed, T, Jian, S, Bajaj, S, Ong, S.T, Goay, S.S.M, Zhao, Y, Vorobyov, I, Tian, C, Chandy, K.G, Bhushan, S.
登録日2021-12-25
公開日2022-02-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Rearrangement of a unique Kv1.3 selectivity filter conformation upon binding of a drug.
Proc.Natl.Acad.Sci.USA, 119, 2022
7QRW
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Crystal structure of NHL domain of TRIM3
分子名称: GLYCEROL, Isoform 4 of Tripartite motif-containing protein 3, SULFATE ION
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-01-12
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
4X96
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Low resolution crystal structure of Lecithin:Cholesterol Acyltransferase (LCAT; residues 21-397)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylcholine-sterol acyltransferase, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Glukhova, A, Tesmer, J.J.G.
登録日2014-12-11
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (8.69 Å)
主引用文献Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
5S9Z
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434884
分子名称: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
8T57
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BU of 8t57 by Molmil
Structure of mechanically activated ion channel OSCA2.3 in peptidiscs
分子名称: CHOLESTEROL, CSC1-like protein HYP1, PALMITIC ACID
著者Jojoa-Cruz, S, Burendei, B, Lee, W.H, Ward, A.B.
登録日2023-06-12
公開日2023-12-27
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure of mechanically activated ion channel OSCA2.3 reveals mobile elements in the transmembrane domain.
Structure, 32, 2024
5S9Y
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z24758179
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5LRZ
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BU of 5lrz by Molmil
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501
分子名称: 6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide, Heat shock protein HSP 90-alpha
著者Vallee, F, Dupuy, A.
登録日2016-08-22
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501
To Be Published
4WYM
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BU of 4wym by Molmil
Structural basis of HIV-1 capsid recognition by CPSF6
分子名称: Capsid protein p24, ISOFORM 2 OF CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6
著者Battacharya, A, Taylor, A.B, Hart, P.J, Ivanov, D.N.
登録日2014-11-17
公開日2014-12-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of HIV-1 capsid recognition by PF74 and CPSF6.
Proc.Natl.Acad.Sci.USA, 111, 2014
6TU9
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BU of 6tu9 by Molmil
The ROR1 Pseudokinase Domain Bound To Ponatinib
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Inactive tyrosine-protein kinase transmembrane receptor ROR1
著者Mathea, S, Preuss, F, Chatterjee, D, Niininen, W, Ungureanu, D, Shin, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
登録日2020-01-04
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases.
Mol.Cell, 79, 2020
5F02
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BU of 5f02 by Molmil
CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide
分子名称: (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, Cathepsin L1, GLYCEROL
著者Banner, D, Benz, J, Stihle, M, Kuglstatter, A.
登録日2015-11-27
公開日2016-02-24
最終更新日2016-05-25
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
6YSJ
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BU of 6ysj by Molmil
Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ...
著者Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A.
登録日2020-04-22
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
To be published
5IPM
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BU of 5ipm by Molmil
SigmaS-transcription initiation complex with 4-nt nascent RNA
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, B, Zuo, Y, Steitz, T.A.
登録日2016-03-09
公開日2016-03-30
最終更新日2016-06-22
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Structures of E. coli sigma S-transcription initiation complexes provide new insights into polymerase mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
5F0S
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BU of 5f0s by Molmil
Crystal structure of C-terminal domain of the human DNA primase large subunit with bound DNA template/RNA primer and manganese ion
分子名称: DNA (5'-D(*GP*CP*CP*GP*CP*CP*AP*AP*CP*AP*TP*A)-3'), DNA primase large subunit, IRON/SULFUR CLUSTER, ...
著者Tahirov, T.H, Baranovskiy, A.G, Babayeva, N.D.
登録日2015-11-28
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mechanism of Concerted RNA-DNA Primer Synthesis by the Human Primosome.
J.Biol.Chem., 291, 2016
8CUK
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BU of 8cuk by Molmil
X-ray Structure of the WD40 domain of HOPS subunit Vps11 from Yeast
分子名称: E3 ubiquitin-protein ligase PEP5
著者Port, S.A, Baker, R.W, Jeffrey, P.D, Hughson, F.M.
登録日2022-05-17
公開日2022-05-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献X-ray Structure of the WD40 domain of HOPS subunit Vps11 from Yeast
to be published
5F2T
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Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group
分子名称: MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase
著者Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E.
登録日2015-12-02
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
3KEG
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BU of 3keg by Molmil
X-ray Crystallographic Structure of a Y131F mutant of Pseudomonas Aeruginosa Azoreductase in complex with Methyl RED
分子名称: 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ...
著者Wang, C.-J, Laurieri, N, Abuhammad, A, Lowe, E, Westwood, I, Ryan, A, Sim, E.
登録日2009-10-26
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Role of tyrosine 131 in the active site of paAzoR1, an azoreductase with specificity for the inflammatory bowel disease prodrug balsalazide
Acta Crystallogr.,Sect.F, 66, 2010
8CZC
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AT from first module of the pikromycin synthase
分子名称: Narbonolide/10-deoxymethynolide synthase PikA1, modules 1 and 2
著者Keatinge-Clay, A.T, Dickinson, M.S, Miyazawa, T, McCool, R.S.
登録日2022-05-24
公開日2022-06-08
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Priming enzymes from the pikromycin synthase reveal how assembly-line ketosynthases catalyze carbon-carbon chemistry.
Structure, 30, 2022
3KES
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BU of 3kes by Molmil
Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae in the Hexagonal, P61 space group
分子名称: 1,2-ETHANEDIOL, Nucleoporin NUP145
著者Sampathkumar, P, Ozyurt, S.A, Do, J, Bain, K, Dickey, M, Gheyi, T, Sali, A, Kim, S.J, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Rout, M, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-10-26
公開日2009-12-22
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145.
Proteins, 78, 2010
5EV7
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BU of 5ev7 by Molmil
The crystal structure of a functionally unknown conserved protein mutant from Bacillus anthracis str. Ames
分子名称: Conserved domain protein
著者Tan, K, Zhou, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-11-19
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献The crystal structure of a functionally unknown conserved protein mutant from Bacillus anthracis str. Ames.
To Be Published
3KLY
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BU of 3kly by Molmil
Pentameric formate channel
分子名称: Putative formate transporter 1, octyl beta-D-glucopyranoside
著者Waight, A.B, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2009-11-09
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanism of a pentameric formate channel
Nat.Struct.Mol.Biol., 17, 2010

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件を2024-09-11に公開中

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