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3BR1
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BU of 3br1 by Molmil
Crystal Structure of the Complex of Dequalinium Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor
Descriptor: DEQUALINIUM, HTH-type transcriptional regulator qacR, SULFATE ION
Authors:Brooks, B.E.
Deposit date:2007-12-20
Release date:2008-12-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
1S5S
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BU of 1s5s by Molmil
Porcine trypsin complexed with guanidine-3-propanol inhibitor
Descriptor: CALCIUM ION, GLYCEROL, GUANIDINE-3-PROPANOL, ...
Authors:Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E.
Deposit date:2004-01-21
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
6C41
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BU of 6c41 by Molmil
The clavanin peptide in the presence of TFE (2,2,2-trifluoroethanol), presented a amphipathic alpha-helices from Phe-2 to Val-22 residues
Descriptor: Clavanin-A
Authors:Alves, E.S.F, Liao, L.M.
Deposit date:2018-01-11
Release date:2018-02-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Studies of a Lipid-Binding Peptide from Tunicate Hemocytes with Anti-Biofilm Activity.
Sci Rep, 6, 2016
8OWX
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BU of 8owx by Molmil
Crystal Structure of METTL6 bound to SAH
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA N(3)-methylcytidine methyltransferase METTL6
Authors:Throll, P, Basu, S, Dolce, L.G, Kowalinski, E.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural basis of tRNA recognition by the m 3 C RNA methyltransferase METTL6 in complex with SerRS seryl-tRNA synthetase.
Nat.Struct.Mol.Biol., 2024
8OVG
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BU of 8ovg by Molmil
Human Mitochondrial Lon Y186E Mutant ADP Bound
Descriptor: Lon protease homolog, mitochondrial
Authors:Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
Deposit date:2023-04-26
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.47 Å)
Cite:Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8I9W
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BU of 8i9w by Molmil
Cryo-EM structure of a Chaetomium thermophilum pre-60S ribosomal subunit - Dbp10-3
Descriptor: 60S ribosomal protein L12-like protein, 60S ribosomal protein L13, 60S ribosomal protein L14-like protein, ...
Authors:Lau, B, Huang, Z, Beckmann, R, Hurt, E, Cheng, J.
Deposit date:2023-02-07
Release date:2023-05-17
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanism of 5S RNP recruitment and helicase-surveilled rRNA maturation during pre-60S biogenesis.
Embo Rep., 24, 2023
8ACL
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BU of 8acl by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14
Descriptor: (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
Authors:Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
Deposit date:2022-07-05
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
5NRX
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BU of 5nrx by Molmil
Cys-Gly dipeptidase GliJ in complex with Fe2+
Descriptor: CHLORIDE ION, Dipeptidase gliJ, FE (III) ION
Authors:Groll, M, Huber, E.M.
Deposit date:2017-04-25
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
8I9Y
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BU of 8i9y by Molmil
Cryo-EM structure of a Chaetomium thermophilum pre-60S ribosomal subunit - Ytm1-2
Descriptor: 60S ribosomal protein L12-like protein, 60S ribosomal protein L13, 60S ribosomal protein L14-like protein, ...
Authors:Lau, B, Huang, Z, Beckmann, R, Hurt, E, Cheng, J.
Deposit date:2023-02-07
Release date:2023-05-17
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanism of 5S RNP recruitment and helicase-surveilled rRNA maturation during pre-60S biogenesis.
Embo Rep., 24, 2023
6FUU
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BU of 6fuu by Molmil
Transcriptional regulator LmrR with bound heme
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Transcriptional regulator PadR family
Authors:Reddem, E.R, Thunnissen, A.M.W.H.
Deposit date:2018-02-27
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An Artificial Heme Enzyme for Cyclopropanation Reactions.
Angew. Chem. Int. Ed. Engl., 57, 2018
2G21
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BU of 2g21 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
Descriptor: 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-15
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
1S00
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BU of 1s00 by Molmil
PHOTOSYNTHETIC REACTION CENTER DOUBLE MUTANT FROM RHODOBACTER SPHAEROIDES WITH ASP L213 REPLACED WITH ASN AND ARG M233 REPLACED WITH CYS IN THE CHARGE-SEPARATED D+QAQB- STATE
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ...
Authors:Xu, Q, Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G.
Deposit date:2003-12-29
Release date:2004-04-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-Ray Structure Determination of Three Mutants of the Bacterial Photosynthetic Reaction Centers from Rb. sphaeroides; Altered Proton Transfer Pathways.
STRUCTURE, 12, 2004
6TOR
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BU of 6tor by Molmil
human O-phosphoethanolamine phospho-lyase
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Ethanolamine-phosphate phospho-lyase, GLYCEROL
Authors:Vettraino, C, Donini, S, Parisini, E.
Deposit date:2019-12-11
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterization of human O-phosphoethanolamine phospho-lyase.
Acta Crystallogr.,Sect.F, 76, 2020
6N90
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BU of 6n90 by Molmil
YoeB/ParE toxin from Agrobacterium tumefaciens
Descriptor: 6-tungstotellurate(VI), Uncharacterized protein
Authors:Bourne, C.R, Reddem, E.R.
Deposit date:2018-11-30
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Identifying a Molecular Mechanism That Imparts Species-Specific Toxicity to YoeB Toxins.
Front Microbiol, 11, 2020
5D3I
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BU of 5d3i by Molmil
Crystal structure of the SSL3-TLR2 complex
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feitsma, L.J, Huizinga, E.G.
Deposit date:2015-08-06
Release date:2015-08-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3).
Proc.Natl.Acad.Sci.USA, 112, 2015
6T2R
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BU of 6t2r by Molmil
Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown
Descriptor: Beta-glycosidase, SULFATE ION
Authors:Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N.
Deposit date:2019-10-09
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
2CNI
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BU of 2cni by Molmil
Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B
Descriptor: MAGNESIUM ION, METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}-6-HYDROXYBENZOATE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
Authors:Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R.
Deposit date:2006-05-21
Release date:2006-09-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
5TXV
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BU of 5txv by Molmil
HslU P21 cell with 4 hexamers
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU
Authors:Grant, R.A, Chen, J, Glynn, S.E, Sauer, R.T.
Deposit date:2016-11-17
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (7.086 Å)
Cite:Covalently linked HslU hexamers support a probabilistic mechanism that links ATP hydrolysis to protein unfolding and translocation.
J. Biol. Chem., 292, 2017
8AQ3
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BU of 8aq3 by Molmil
In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with PE
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2022-08-11
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
8AQ4
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BU of 8aq4 by Molmil
In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with TITC and lyso-PE
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2022-08-11
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
8QX0
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BU of 8qx0 by Molmil
Ligninolytic manganese peroxidase Ape-MnP1 from Agaricales mushrooms in complex with a manganese ion
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Santillana, E, Romero, A.
Deposit date:2023-10-20
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.247 Å)
Cite:Structure-function characterization of two enzymes from novel subfamilies of manganese peroxidases secreted by the lignocellulose-degrading Agaricales fungi Agrocybe pediades and Cyathus striatus.
Biotechnol Biofuels Bioprod, 17, 2024
7JPJ
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BU of 7jpj by Molmil
Crystal Structure of the essential dimeric LYSA from Phaeodactylum tricornutum
Descriptor: D-LYSINE, Diaminopimelate decarboxylase, SULFATE ION
Authors:Fedorov, E, Belinski, V.A, Brunson, J.K, Almo, S.C, Dupont, C.L, Ghosh, A.
Deposit date:2020-08-08
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The Phaeodactylum tricornutum diaminopimelate decarboxylase was acquired via horizontal gene transfer from bacteria and displays substrate promiscuity
Biorxiv, 2020
5NGJ
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BU of 5ngj by Molmil
Crystal structure of pb6, major tail tube protein of bacteriophage T5
Descriptor: CHLORIDE ION, Tail tube protein
Authors:Arnaud, C.-A, Effantin, G, Vives, C, Engilberge, S, Bacia, M, Boulanger, P, Girard, E, Schoehn, G, Breyton, C.
Deposit date:2017-03-17
Release date:2018-01-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bacteriophage T5 tail tube structure suggests a trigger mechanism for Siphoviridae DNA ejection.
Nat Commun, 8, 2017
4LKP
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BU of 4lkp by Molmil
Crystal Structure of Apo Human Epidermal Fatty Acid Binding Protein (FABP5)
Descriptor: AMMONIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Armstrong, E.H, Ortlund, E.A.
Deposit date:2013-07-08
Release date:2014-03-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor beta / delta (FABP5-PPAR beta / delta ) signaling pathway.
J.Biol.Chem., 289, 2014
1S82
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BU of 1s82 by Molmil
PORCINE TRYPSIN COMPLEXED WITH BORATE AND ETHYLENE GLYCOL
Descriptor: 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, CALCIUM ION, ...
Authors:Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E.
Deposit date:2004-01-30
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004

223790

数据于2024-08-14公开中

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