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PDB: 89111 results

5SA3
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BU of 5sa3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434874
Descriptor: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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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BU of 4x8n by Molmil
Crystal structure of Ash2L SPRY domain in complex with phosphorylated RbBP5
Descriptor: Retinoblastoma-binding protein 5, Set1/Ash2 histone methyltransferase complex subunit ASH2
Authors:Zhang, P, Chaturvedi, C.P, Brunzelle, J.S, Skiniotis, G, Brand, M, Shilatifard, A, Couture, J.-F.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A phosphorylation switch on RbBP5 regulates histone H3 Lys4 methylation.
Genes Dev., 29, 2015
5S9W
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BU of 5s9w by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z26769872
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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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BU of 5s9t by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1614545742
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite: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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BU of 7wf4 by Molmil
Composite map of human Kv1.3 channel in dalazatide-bound state with beta subunits
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 3, ...
Authors: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.
Deposit date:2021-12-25
Release date:2022-02-09
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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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BU of 7qrw by Molmil
Crystal structure of NHL domain of TRIM3
Descriptor: GLYCEROL, Isoform 4 of Tripartite motif-containing protein 3, SULFATE ION
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-12
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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)
Descriptor: 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
Authors:Glukhova, A, Tesmer, J.J.G.
Deposit date:2014-12-11
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (8.69 Å)
Cite:Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
5S9Z
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BU of 5s9z by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434884
Descriptor: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: CHOLESTEROL, CSC1-like protein HYP1, PALMITIC ACID
Authors:Jojoa-Cruz, S, Burendei, B, Lee, W.H, Ward, A.B.
Deposit date:2023-06-12
Release date:2023-12-27
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of mechanically activated ion channel OSCA2.3 reveals mobile elements in the transmembrane domain.
Structure, 32, 2024
5S9Y
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BU of 5s9y by Molmil
PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z24758179
Descriptor: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Fiorillo, A, Ilari, A.
Deposit date:2021-05-18
Release date:2022-06-15
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 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
Authors:Vallee, F, Dupuy, A.
Deposit date:2016-08-22
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Capsid protein p24, ISOFORM 2 OF CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6
Authors:Battacharya, A, Taylor, A.B, Hart, P.J, Ivanov, D.N.
Deposit date:2014-11-17
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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
Authors:Mathea, S, Preuss, F, Chatterjee, D, Niininen, W, Ungureanu, D, Shin, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2020-01-04
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: (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
Authors:Banner, D, Benz, J, Stihle, M, Kuglstatter, A.
Deposit date:2015-11-27
Release date:2016-02-24
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.43 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ...
Authors:Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A.
Deposit date:2020-04-22
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Liu, B, Zuo, Y, Steitz, T.A.
Deposit date:2016-03-09
Release date:2016-03-30
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (4.2 Å)
Cite: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
Descriptor: DNA (5'-D(*GP*CP*CP*GP*CP*CP*AP*AP*CP*AP*TP*A)-3'), DNA primase large subunit, IRON/SULFUR CLUSTER, ...
Authors:Tahirov, T.H, Baranovskiy, A.G, Babayeva, N.D.
Deposit date:2015-11-28
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase PEP5
Authors:Port, S.A, Baker, R.W, Jeffrey, P.D, Hughson, F.M.
Deposit date:2022-05-17
Release date:2022-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:X-ray Structure of the WD40 domain of HOPS subunit Vps11 from Yeast
to be published
5F2T
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BU of 5f2t by Molmil
Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group
Descriptor: MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase
Authors:Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E.
Deposit date:2015-12-02
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite: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
Descriptor: 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ...
Authors:Wang, C.-J, Laurieri, N, Abuhammad, A, Lowe, E, Westwood, I, Ryan, A, Sim, E.
Deposit date:2009-10-26
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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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BU of 8czc by Molmil
AT from first module of the pikromycin synthase
Descriptor: Narbonolide/10-deoxymethynolide synthase PikA1, modules 1 and 2
Authors:Keatinge-Clay, A.T, Dickinson, M.S, Miyazawa, T, McCool, R.S.
Deposit date:2022-05-24
Release date:2022-06-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Nucleoporin NUP145
Authors: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)
Deposit date:2009-10-26
Release date:2009-12-22
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Conserved domain protein
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-11-19
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite: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
Descriptor: Putative formate transporter 1, octyl beta-D-glucopyranoside
Authors:Waight, A.B, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2009-11-09
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of a pentameric formate channel
Nat.Struct.Mol.Biol., 17, 2010

224931

数据于2024-09-11公开中

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