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6DQ0
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BU of 6dq0 by Molmil
sfGFP D133 mutated to 4-nitro-L-phenylalanine
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, superfolder green fluorescent protein
Authors:Phillips-Piro, C.M, Maurici, N, Lee, B.
Deposit date:2018-06-10
Release date:2018-10-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:Crystal structures of green fluorescent protein with the unnatural amino acid 4-nitro-L-phenylalanine.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6H9A
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BU of 6h9a by Molmil
Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in complex with natural substrate trimethyl histidine.
Descriptor: CHLORIDE ION, N,N,N-trimethyl-histidine, SODIUM ION, ...
Authors:Leisinger, F, Burn, R, Meury, M, Lukat, P, Seebeck, F.P.
Deposit date:2018-08-03
Release date:2019-06-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.831 Å)
Cite:Structural and Mechanistic Basis for Anaerobic Ergothioneine Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6HAC
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BU of 6hac by Molmil
Crystal structure of [Fe]-hydrogenase (Hmd) holoenzyme from Methanococcus aeolicus (open form)
Descriptor: 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, PENTAETHYLENE GLYCOL, ...
Authors:Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S.
Deposit date:2018-08-07
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
4Z0K
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BU of 4z0k by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-26
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
3PRU
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BU of 3pru by Molmil
Crystal Structure of Phycobilisome 32.1 kDa linker polypeptide, phycocyanin-associated, rod 1 (fragment 14-158) from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR182A
Descriptor: CHLORIDE ION, Phycobilisome 32.1 kDa linker polypeptide, phycocyanin-associated, ...
Authors:Kuzin, A, Su, M, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-11-30
Release date:2010-12-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.677 Å)
Cite:Northeast Structural Genomics Consortium Target SgR182A
To be Published
6HUX
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BU of 6hux by Molmil
HmdII from Methanocaldococcus jannaschii reconstitued with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydromethanopterin at 2.5 A resolution
Descriptor: 1,2-ETHANEDIOL, 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, ACETATE ION, ...
Authors:Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S.
Deposit date:2018-10-09
Release date:2019-01-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates.
Angew. Chem. Int. Ed. Engl., 58, 2019
6DLH
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BU of 6dlh by Molmil
Endo-fucoidan hydrolase MfFcnA4 from glycoside hydrolase family 107
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-endofucoidanase, CALCIUM ION, ...
Authors:Vickers, C, Abe, K, Salama-Alber, O, Boraston, A.B.
Deposit date:2018-06-01
Release date:2018-10-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29.
J. Biol. Chem., 293, 2018
4ZAV
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BU of 4zav by Molmil
UbiX in complex with a covalent adduct between dimethylallyl monophosphate and reduced FMN
Descriptor: 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, PHOSPHATE ION, SODIUM ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-14
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
3HZO
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BU of 3hzo by Molmil
Rv0554 from Mycobacterium tuberculosis - the structure solved from the tetragonal crystal form
Descriptor: 1,2-ETHANEDIOL, MALONIC ACID, SODIUM ION, ...
Authors:Johnston, J.M, Baker, E.N.
Deposit date:2009-06-23
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of Rv0554 from Mycobacterium tuberculosis
To be Published
6I45
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BU of 6i45 by Molmil
Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation
Descriptor: DI(HYDROXYETHYL)ETHER, Protease, SODIUM ION
Authors:Sherry, D, Pandian, R, Achilonu, I.A, Dirr, H.W, Sayed, Y.
Deposit date:2018-11-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Non-active site mutations in the HIV protease: Diminished drug binding affinity is achieved through modulating the hydrophobic sliding mechanism.
Int.J.Biol.Macromol., 217, 2022
3HYJ
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BU of 3hyj by Molmil
Crystal structure of the N-terminal LAGLIDADG domain of DUF199/WhiA
Descriptor: CHLORIDE ION, GLYCEROL, Protein DUF199/WhiA, ...
Authors:Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease.
Structure, 17, 2009
1I0B
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BU of 1i0b by Molmil
HIGH RESOLUTION STRUCTURE OF THE MANGANESE-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA
Descriptor: 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, FORMIC ACID, ...
Authors:Holden, H.M, Benning, M.M, Raushel, F.M, Shim, H.
Deposit date:2001-01-29
Release date:2001-04-04
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta.
Biochemistry, 40, 2001
6DV0
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BU of 6dv0 by Molmil
HIV-1 wild type protease with GRL-02815A, a thiochroman heterocycle with (S)-Boc-amine functionality as the P2 ligand
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2018-06-22
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands.
Eur J Med Chem, 160, 2018
4ZKE
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BU of 4zke by Molmil
Crystal structure of the S. cerevisiae Ski7 GTPase-like domain, bound to GTP.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ...
Authors:Kowalinski, E, Conti, E.
Deposit date:2015-04-30
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Saccharomyces cerevisiae Ski7 Is a GTP-Binding Protein Adopting the Characteristic Conformation of Active Translational GTPases.
Structure, 23, 2015
2YIG
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BU of 2yig by Molmil
MMP13 in complex with a novel selective non zinc binding inhibitor
Descriptor: 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE, CALCIUM ION, COLLAGENASE 3, ...
Authors:Gerhardt, S, Hargreaves, D.
Deposit date:2011-05-13
Release date:2011-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective Non Zinc Binding Inhibitors of Mmp13.
Bioorg.Med.Chem.Lett., 21, 2011
4Z5Y
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BU of 4z5y by Molmil
The 1.56-angstrom crystal structure of copper(II)-bound PqqB from Pseudomonas Putida
Descriptor: COPPER (II) ION, Coenzyme PQQ synthesis protein B, SODIUM ION, ...
Authors:Tu, X, Wilmot, C.M.
Deposit date:2015-04-03
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:Crystal structures reveal metal-binding plasticity at the active site of PqqB
To Be Published
4Z67
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BU of 4z67 by Molmil
The 1.5-angstrom crystal structure of Mn(2+)-bound PqqB from Pseudomonas Putida
Descriptor: Coenzyme PQQ synthesis protein B, D-MALATE, MANGANESE (II) ION, ...
Authors:Tu, X, Wilmot, C.M.
Deposit date:2015-04-03
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures reveal metal-binding plasticity at the active site of PqqB
To Be Published
6I4F
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BU of 6i4f by Molmil
Crystal Structure of Plasmodium falciparum actin I (A272W mutant) in the Mg-K-ATP/ADP state
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
Deposit date:2018-11-09
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
6ILM
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BU of 6ilm by Molmil
Cryo-EM structure of Echovirus 6 complexed with its uncoating receptor FcRn at PH 7.4
Descriptor: Beta-2-microglobulin, Capsid protein VP1, Capsid protein VP2, ...
Authors:Gao, G.F, Liu, S, Zhao, X, Peng, R.
Deposit date:2018-10-19
Release date:2019-05-15
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
3HYI
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BU of 3hyi by Molmil
Crystal structure of full-length DUF199/WhiA from Thermatoga maritima
Descriptor: GLYCEROL, Protein DUF199/WhiA, SODIUM ION
Authors:Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease
Structure, 17, 2009
6DZD
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BU of 6dzd by Molmil
Crystal structure of Bacillus licheniformis hypothetical protein YfiH
Descriptor: CHLORIDE ION, POTASSIUM ION, SODIUM ION, ...
Authors:Almeida, L.R, Grejo, M.P, Mulinari, E.J, Santos, J.C, Camargo, S, Bernardes, A, Muniz, J.R.C.
Deposit date:2018-07-03
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structure of Bacillus licheniformis hypothetical protein YfiH
To Be Published
6IPG
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BU of 6ipg by Molmil
Post-catalytic Complex of Human DNA Polymerase Mu with Templating Cytosine and Mg-8oxodGMP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*CP*TP*AP*CP*G)-3'), ...
Authors:Chang, Y.K, Wu, W.J, Tsai, M.D.
Deposit date:2018-11-03
Release date:2019-05-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions.
J.Am.Chem.Soc., 141, 2019
2YOI
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BU of 2yoi by Molmil
Crystal Structure of Ancestral Thioredoxin Relative to Last Eukaryotes Common Ancestor (LECA) from the Precambrian Period
Descriptor: ACETATE ION, CHLORIDE ION, LECA THIOREDOXIN, ...
Authors:Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2012-10-24
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Conservation of protein structure over four billion years.
Structure, 21, 2013
3I0X
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BU of 3i0x by Molmil
Crystal structure of Clostridium acetobutylicum 8-oxoguanine glycosylase/lyase in complex with dsDNA containing adenine opposite to 8-oxoG
Descriptor: 5'-D(*AP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*AP*TP*GP*GP*A)-3', 8-oxoguanine-DNA-glycosylase, ...
Authors:Faucher, F, Doublie, S.
Deposit date:2009-06-25
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the lack of opposite base specificity of Clostridium acetobutylicum 8-oxoguanine DNA glycosylase.
Dna Repair, 8, 2009
4ZQC
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BU of 4zqc by Molmil
Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution.
Descriptor: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2015-05-08
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016

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數據於2024-07-10公開中

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