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5KFI
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BU of 5kfi by Molmil
Human DNA polymerase eta-DNA ternary complex: reaction with 10 mM Mn2+ for 120s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
Authors:Gao, Y, Yang, W.
Deposit date:2016-06-12
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
5KFT
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BU of 5kft by Molmil
Human DNA polymerase eta R61A-DNA ternary complex: reaction with 1 mM Mg2+ for 40s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Gao, Y, Yang, W.
Deposit date:2016-06-12
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
5KG5
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BU of 5kg5 by Molmil
Human DNA polymerase eta-DNA ternary complex: reaction first with 1 mM Mn2+ for 1800s then with 10 mM Cd2+ for 60s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), ...
Authors:Gao, Y, Yang, W.
Deposit date:2016-06-12
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
5KFB
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BU of 5kfb by Molmil
Human DNA polymerase eta-DNA ternary complex: reaction with 1 mM Mn2+ for 90s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Gao, Y, Yang, W.
Deposit date:2016-06-12
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
5KFM
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BU of 5kfm by Molmil
Human DNA polymerase eta-DNA ternary complex with Sp-dATP-alpha-S: ground state at pH7.0 (K+ MES) with 1 Ca2+ ion
Descriptor: 2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE), CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Gao, Y, Yang, W.
Deposit date:2016-06-12
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
5KFW
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BU of 5kfw by Molmil
Human DNA polymerase eta R61A-DNA ternary complex: reaction with 1 mM Mg2+ for 200s
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ...
Authors:Gao, Y, Yang, W.
Deposit date:2016-06-12
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Capture of a third Mg2+ is essential for catalyzing DNA synthesis.
Science, 352, 2016
3LSQ
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BU of 3lsq by Molmil
Trypanosoma brucei seryl-tRNA synthetase
Descriptor: MALONATE ION, SODIUM ION, Seryl-tRNA synthetase
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-02-12
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of Seryl-tRNA synthetase from the eukaryotic parasite Trypanosoma brucei.
to be published
5KN7
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BU of 5kn7 by Molmil
Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii
Descriptor: DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ...
Authors:Dovala, D.L, Hu, Q, Metzger IV, L.E.
Deposit date:2016-06-27
Release date:2016-09-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KJ2
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BU of 5kj2 by Molmil
The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer
Descriptor: Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION
Authors:Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C.
Deposit date:2016-06-17
Release date:2017-09-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
5KLH
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BU of 5klh by Molmil
Crystal Structure of Trypanosoma brucei Procyclic Specific Surface Antigen-2
Descriptor: SULFATE ION, Surface glycoprotein
Authors:Ramaswamy, R, Parker, M.L, Boulanger, M.J.
Deposit date:2016-06-24
Release date:2017-07-05
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.646 Å)
Cite:Structural characterization reveals a novel bilobed architecture for the ectodomains of insect stage expressed Trypanosoma brucei PSSA-2 and Trypanosoma congolense ISA.
Protein Sci., 25, 2016
7WNZ
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BU of 7wnz by Molmil
CryoEM structure of human alpha-synuclein A53T fibril
Descriptor: Alpha-synuclein
Authors:Wu, K.-P, Huang, J.Y.-C.
Deposit date:2022-01-20
Release date:2023-01-25
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Calcium abolishes intramolecular long-range contacts and promotes hereditary alpha-synuclein A53T aggregation
To Be Published
2D32
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BU of 2d32 by Molmil
Crystal Structure of Michaelis Complex of gamma-Glutamylcysteine Synthetase
Descriptor: CYSTEINE, GLUTAMIC ACID, Glutamate--cysteine ligase, ...
Authors:Hibi, T, Nakayama, M, Nii, H, Kurokawa, Y, Katano, H, Oda, J.
Deposit date:2005-09-25
Release date:2006-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of efficient coupling peptide ligation and ATP hydrolysis by gamma-gluatamylcysteine synthetase
To be Published
6GQ4
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BU of 6gq4 by Molmil
Neisseria gonorrhoeae Adhesin Complex Protein
Descriptor: Adhesin, SODIUM ION
Authors:Orr, C.M, Tews, I.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of the RecombinantNeisseria gonorrhoeaeAdhesin Complex Protein (rNg-ACP) and Generation of Murine Antibodies with Bactericidal Activity against Gonococci.
mSphere, 3, 2018
1WTU
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BU of 1wtu by Molmil
TRANSCRIPTION FACTOR 1, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: TRANSCRIPTION FACTOR 1
Authors:Jia, X, Grove, A, Ivancic, M, Hsu, V.L, Geiduschek, E.P, Kearns, D.R.
Deposit date:1996-07-29
Release date:1997-02-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the Bacillus subtilis phage SPO1-encoded type II DNA-binding protein TF1 in solution.
J.Mol.Biol., 263, 1996
7WWO
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BU of 7wwo by Molmil
Dimer form of hypothetical protein TTHA1873 from Thermus thermophilus
Descriptor: CALCIUM ION, hypothetical protein TTHA1873
Authors:Yuvaraj, I, Sekar, K.
Deposit date:2022-02-14
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of the hypothetical protein TTHA1873 from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 78, 2022
7WWN
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BU of 7wwn by Molmil
Structure of hypothetical protein TTHA1873 from Thermus thermophilus with Potassium mercuric iodide
Descriptor: CALCIUM ION, hypothetical protein TTHA1873, tetraiodomercurate(2-)
Authors:Yuvaraj, I, Sekar, K.
Deposit date:2022-02-14
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the hypothetical protein TTHA1873 from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 78, 2022
5KNK
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BU of 5knk by Molmil
Lipid A secondary acyltransferase LpxM from Acinetobacter baumannii with catalytic residue substitution (E127A)
Descriptor: DODECYL-BETA-D-MALTOSIDE, GLYCEROL, Lipid A biosynthesis lauroyl acyltransferase, ...
Authors:Dovala, D.L, Hu, Q, Metzger IV, L.E.
Deposit date:2016-06-28
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided enzymology of the lipid A acyltransferase LpxM reveals a dual activity mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
2D33
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BU of 2d33 by Molmil
Crystal Structure of gamma-Glutamylcysteine Synthetase Complexed with Aluminum Fluoride
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CYSTEINE, ...
Authors:Hibi, T, Nakayama, M, Nii, H, Kurokawa, Y, Katano, H, Oda, J.
Deposit date:2005-09-25
Release date:2006-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of efficient coupling between peptide ligation and ATP hydrolysis by gamma-gluatamylcysteine synthetase
To be Published
3LIM
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BU of 3lim by Molmil
Crystal structure of the pore forming toxin frac from sea anemone actinia fragacea
Descriptor: Fragaceatoxin C, LAURYL DIMETHYLAMINE-N-OXIDE
Authors:Mechaly, A.E, Bellomio, A, Morante, K, Gonzalez-Manas, J.M, Guerin, D.M.A.
Deposit date:2010-01-25
Release date:2010-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the oligomerization and architecture of eukaryotic membrane pore-forming toxins.
Structure, 19, 2011
4TPP
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BU of 4tpp by Molmil
2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors
Descriptor: 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ...
Authors:Chmait, S.
Deposit date:2014-06-09
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
6UEX
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BU of 6uex by Molmil
Crystal structure of S. aureus LcpA in complex with octaprenyl-pyrophosphate-GlcNAc
Descriptor: 2-(acetylamino)-2-deoxy-1-O-[(S)-hydroxy{[(S)-hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-D-glucopyranose, GLYCEROL, Regulatory protein MsrR, ...
Authors:Li, F.K.K, Strynadka, N.C.J.
Deposit date:2019-09-23
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic analysis ofStaphylococcus aureusLcpA, the primary wall teichoic acid ligase.
J.Biol.Chem., 295, 2020
7X5V
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BU of 7x5v by Molmil
NaVEh Sodium channel, and NaVEh from the coccolithophore Emiliania huxleyi
Descriptor: ion channel, ion channel,GFP-TwinStrep
Authors:Jiang, D, Zhang, J.
Deposit date:2022-03-05
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:N-type fast inactivation of a eukaryotic voltage-gated sodium channel.
Nat Commun, 13, 2022
5KMX
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BU of 5kmx by Molmil
Structure of Trypanosoma congolense Insect Stage Antigen
Descriptor: GLYCEROL, Putative uncharacterized protein TCIL3000_10_9440, SULFATE ION
Authors:Ramaswamy, R, Parker, M.L, Boulanger, M.J.
Deposit date:2016-06-27
Release date:2017-07-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Structural characterization reveals a novel bilobed architecture for the ectodomains of insect stage expressed Trypanosoma brucei PSSA-2 and Trypanosoma congolense ISA.
Protein Sci., 25, 2016
4Z9O
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BU of 4z9o by Molmil
Crystal Structure of human GGT1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Terzyan, S.S, Hanigan, M.H.
Deposit date:2015-04-10
Release date:2015-06-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
6H8S
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BU of 6h8s by Molmil
CRYSTAL STRUCTURE OF THE MOUSE PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND BI-0314
Descriptor: 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine, Tyrosine-protein phosphatase non-receptor type 5
Authors:Fiegen, D, Schnapp, G.
Deposit date:2018-08-03
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019

223532

數據於2024-08-07公開中

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