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6P1I
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BU of 6p1i by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ...
著者Bertoletti, N, Anderson, K.S.
登録日2019-05-19
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
5OF1
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BU of 5of1 by Molmil
The structural versatility of TasA in B. subtilis biofilm formation
分子名称: 2-HYDROXYBENZOIC ACID, Spore coat-associated protein N, ethane-1,2-diol
著者Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H.
登録日2017-07-10
公開日2018-03-21
最終更新日2018-04-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural changes of TasA in biofilm formation ofBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5O3M
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BU of 5o3m by Molmil
Crystal structure of apo Klebsiella pneumoniae 3,4-dihydroxybenzoic acid decarboxylase (AroY)
分子名称: Protocatechuate decarboxylase, pentane-1,5-diol
著者Marshall, S.A, Leys, D.
登録日2017-05-24
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
6P26
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BU of 6p26 by Molmil
Escherichia coli tRNA synthetase in complex with compound 1
分子名称: N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-05-21
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
6P2S
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BU of 6p2s by Molmil
Structure of a nested set of N-terminally extended MHC I-peptides provide novel insights into antigen processing and presentation
分子名称: Beta-2-microglobulin, MHC I-peptide, MHC class I antigen
著者Li, L, Batliwala, M, Bouvier, M.
登録日2019-05-22
公開日2019-10-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献ERAP1 enzyme-mediated trimming and structural analyses of MHC I-bound precursor peptides yield novel insights into antigen processing and presentation.
J.Biol.Chem., 294, 2019
6PFY
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BU of 6pfy by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I at synchrotron to 2.9 A
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Fromme, R.
登録日2019-06-23
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
6P3E
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BU of 6p3e by Molmil
Mobile loops and electrostatic interactions maintain the flexible lambda tail tube
分子名称: Tail tube protein
著者Campbell, P, Duda, R.L, Nassur, J, Hendrix, R.W, Conway, J.F, Huet, A.
登録日2019-05-23
公開日2019-11-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Mobile Loops and Electrostatic Interactions Maintain the Flexible Tail Tube of Bacteriophage Lambda.
J.Mol.Biol., 432, 2020
5OFN
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BU of 5ofn by Molmil
Crystal structure of the heterotrimeric PriSLX primase from S. solfataricus.
分子名称: DNA primase large subunit PriL,PriL-X fusion protein, DNA primase small subunit PriS, ZINC ION
著者Pellegrini, L, Holzer, S.
登録日2017-07-11
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Primer synthesis by a eukaryotic-like archaeal primase is independent of its Fe-S cluster.
Nat Commun, 8, 2017
6POD
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BU of 6pod by Molmil
ClpX-ClpP complex bound to substrate and ATP-gamma-S, class 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ...
著者Fei, X, Jenni, S, Harrison, S.C, Sauer, R.T.
登録日2019-07-03
公開日2020-03-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.05 Å)
主引用文献Structures of the ATP-fueled ClpXP proteolytic machine bound to protein substrate.
Elife, 9, 2020
6P5T
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BU of 6p5t by Molmil
Surface-layer (S-layer) RsaA protein from Caulobacter crescentus bound to strontium and iodide
分子名称: IODIDE ION, S-layer protein, STRONTIUM ION
著者Chan, A.C, Herrmann, J, Smit, J, Wakatsuki, S, Murphy, M.E.
登録日2019-05-30
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A bacterial surface layer protein exploits multistep crystallization for rapid self-assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PLI
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BU of 6pli by Molmil
Crystal Structure of EcDsbA in a complex with purified oxadiazole 11
分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-07-01
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
5OGP
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BU of 5ogp by Molmil
Metalacarborane inhibitors of Carbonic Anhydrase IX
分子名称: Carbonic anhydrase 2, ZINC ION, cobaltcarborane
著者Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V.
登録日2017-07-13
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
6PNA
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BU of 6pna by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6PNY
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BU of 6pny by Molmil
X-ray Structure of Flpp3
分子名称: Flpp3
著者Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P.
登録日2019-07-03
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
6P9S
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BU of 6p9s by Molmil
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 7
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Ma, X, Shia, S, Ornelas, E.
登録日2019-06-10
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6P0X
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BU of 6p0x by Molmil
Structure of the N-terminal domain of effector protein SpvB from Salmonella typhimurium strain LT2
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACRYLIC ACID, GLYCEROL, ...
著者Xu, C, Boniecki, M, Cygler, M.
登録日2019-05-17
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the N-terminal domain of effector protein SpvB from Salmonella typhimurium strain LT2
To Be Published
5O8E
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BU of 5o8e by Molmil
Mutant of class II CPD photolyase from Methanosarcina mazei
分子名称: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Ignatz, E, Geisselbrecht, Y, Essen, L.-O.
登録日2017-06-13
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nicotinamide Adenine Dinucleotides Arrest Photoreduction of Class II DNA Photolyases in FADH ̇ State.
Photochem. Photobiol., 94, 2018
6P1X
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BU of 6p1x by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and L-ddCTP
分子名称: DNA Primer 20-mer, DNA template 27-mer, MAGNESIUM ION, ...
著者Bertoletti, N, Anderson, K.S.
登録日2019-05-20
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
6P2H
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BU of 6p2h by Molmil
Structural basis for 2'-deoxyguanosine recognition by the 2'-dG-II class of riboswitches
分子名称: 2'-DEOXY-GUANOSINE, COBALT HEXAMMINE(III), MAGNESIUM ION, ...
著者Matyjasik, M.M, Batey, R.T.
登録日2019-05-21
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Structural basis for 2'-deoxyguanosine recognition by the 2'-dG-II class of riboswitches.
Nucleic Acids Res., 47, 2019
5OKI
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BU of 5oki by Molmil
Crystal structure of the Ctf18-1-8 module from Ctf18-RFC in complex with a 63 kDa fragment of DNA Polymerase epsilon
分子名称: Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, DNA polymerase epsilon catalytic subunit A, ...
著者Grabarczyk, D.B, Kisker, C.
登録日2017-07-25
公開日2017-12-20
最終更新日2018-01-10
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structural Basis for the Recruitment of Ctf18-RFC to the Replisome.
Structure, 26, 2018
7WIM
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BU of 7wim by Molmil
Crystal structure of Arabidopsis thaliana FKBP43 N-terminal domain
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP43
著者Singh, A.K, Saharan, K, Baral, S, Vasudevan, D.
登録日2022-01-03
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The plant nucleoplasmin AtFKBP43 needs its extended arms for histone interaction.
Biochim Biophys Acta Gene Regul Mech, 1865, 2022
7WCV
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BU of 7wcv by Molmil
Co-crystal structure of FTO bound to 6e
分子名称: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ...
著者Yang, C.-G, Gan, J.H.
登録日2021-12-20
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Activity Relationships and Antileukemia Effects of the Tricyclic Benzoic Acid FTO Inhibitors.
J.Med.Chem., 65, 2022
6P4X
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BU of 6p4x by Molmil
Crystal Structure of the S. cerevisiae glucokinase, Glk1
分子名称: Glucokinase-1, PHOSPHATE ION
著者Stoddard, P.R, Garner, E.C, Murray, A.W.
登録日2019-05-28
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Polymerization in the actin ATPase clan regulates hexokinase activity in yeast.
Science, 367, 2020
5NXR
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BU of 5nxr by Molmil
Trimeric structure of Omp-Pst1, the major porin from Providencia stuartii
分子名称: CALCIUM ION, CHLORIDE ION, LAURYL DIMETHYLAMINE-N-OXIDE, ...
著者Colletier, J.P, Nasrallah, C.
登録日2017-05-10
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Porin self-association enables cell-to-cell contact in
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6P6Z
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BU of 6p6z by Molmil
HCV NS3/4A protease domain of genotype 4a with an extended linker in complex with glecaprevir
分子名称: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, Non-structural protein 4A,Serine protease NS3, ...
著者Timm, J, Schiffer, C.A.
登録日2019-06-04
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published

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件を2024-09-25に公開中

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