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1FAV
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BU of 1fav by Molmil
THE STRUCTURE OF AN HIV-1 SPECIFIC CELL ENTRY INHIBITOR IN COMPLEX WITH THE HIV-1 GP41 TRIMERIC CORE
Descriptor: HIV-1 ENVELOPE PROTEIN CHIMERA, PROTEIN (TRANSMEMBRANE GLYCOPROTEIN)
Authors:Zhou, G, Ferrer, M, Chopra, R, Strassmaier, T, Weissenhorn, W, Skehel, J.J, Oprian, D, Schreiber, S.L, Harrison, S.C, Wiley, D.C.
Deposit date:2000-07-13
Release date:2000-08-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core.
Bioorg.Med.Chem., 8, 2000
2EUY
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BU of 2euy by Molmil
Solution structure of the internal loop of human U65 H/ACA snoRNA 3' hairpin
Descriptor: U65 box H/ACA snoRNA
Authors:Feigon, J, Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M.
Deposit date:2005-10-30
Release date:2006-01-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA.
Rna, 12, 2006
6YPE
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BU of 6ype by Molmil
Crystal structure of the human neuronal pentraxin 1 (NP1) pentraxin (PTX) domain.
Descriptor: CACODYLATE ION, CALCIUM ION, Neuronal pentraxin-1
Authors:Elegheert, J, Clayton, A.J, Aricescu, A.R.
Deposit date:2020-04-15
Release date:2020-06-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A synthetic synaptic organizer protein restores glutamatergic neuronal circuits.
Science, 369, 2020
5K1I
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BU of 5k1i by Molmil
PDE4 crystal structure in complex with small molecule inhibitor
Descriptor: 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid, MAGNESIUM ION, ZINC ION, ...
Authors:Segarra, V, Hernandez, B, Ferrer-Miralles, N, Korndoerfer, I, Aymami, J.
Deposit date:2016-05-18
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 59, 2016
8PC7
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BU of 8pc7 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2023-06-09
Release date:2023-07-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Transforming an esterase into an enantioselective catecholase through bioconjugation of a versatile metal-chelating inhibitor.
Chem.Commun.(Camb.), 59, 2023
8B2D
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BU of 8b2d by Molmil
CRYSTAL STRUCTURE OF BACTERIAL FLAVIN CONTAINING MONOOXYGENASE THERMORESISTANT MUTANT, IN COMPLEX WITH NADP+
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J, Ferrer Martinez, M, Goris, M, Bjerga, G.
Deposit date:2022-09-13
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Increased Thermostability of an Engineered Flavin-Containing Monooxygenase to Remediate Trimethylamine in Fish Protein Hydrolysates.
Appl.Environ.Microbiol., 89, 2023
7PU6
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BU of 7pu6 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF OCTYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: Esterase, GLYCEROL, hexyl(octoxy)phosphinic acid
Authors:Cea Rama, I, Sanz-Aparicio, J.
Deposit date:2021-09-28
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
7PP3
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BU of 7pp3 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Esterase, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2021-09-13
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
7PP8
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BU of 7pp8 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: DI(HYDROXYETHYL)ETHER, Esterase, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2021-09-13
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
7ALZ
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BU of 7alz by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
7AM0
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BU of 7am0 by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
7ZR3
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BU of 7zr3 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH0 FROM THE METAGENOME OF SORGHUM BICOLOR RHIZOSPHERE FROM THE HENFAES RESEARCH CENTRE (GWYNEDD, WALES)
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2022-05-03
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Mobility of the Cap Domain Is Essential for the Substrate Promiscuity of a Family IV Esterase from Sorghum Rhizosphere Microbiome.
Appl.Environ.Microbiol., 89, 2023
3VCR
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BU of 3vcr by Molmil
Crystal structure of a putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase from Oleispira antarctica
Descriptor: PYRUVIC ACID, putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase
Authors:Stogios, P.J, Kagan, O, Di Leo, R, Yim, V, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-01-04
Release date:2012-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
6I8F
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BU of 6i8f by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO
Descriptor: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2018-11-20
Release date:2019-11-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
3V77
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BU of 3v77 by Molmil
Crystal structure of a putative fumarylacetoacetate isomerase/hydrolase from Oleispira antarctica
Descriptor: ACETATE ION, D(-)-TARTARIC ACID, Putative fumarylacetoacetate isomerase/hydrolase, ...
Authors:Stogios, P.J, Kagan, O, Di Leo, R, Bochkarev, A, Edwards, A.M, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-12-20
Release date:2012-01-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3IRU
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BU of 3iru by Molmil
Crystal structure of phoshonoacetaldehyde hydrolase like protein from Oleispira antarctica
Descriptor: SODIUM ION, phoshonoacetaldehyde hydrolase like protein
Authors:Chang, C, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-08-24
Release date:2009-09-01
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3I4Q
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BU of 3i4q by Molmil
Structure of a putative inorganic pyrophosphatase from the oil-degrading bacterium Oleispira antarctica
Descriptor: APC40078, SODIUM ION
Authors:Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-07-02
Release date:2009-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3LMB
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BU of 3lmb by Molmil
The crystal structure of the protein OLEI01261 with unknown function from Chlorobaculum tepidum TLS
Descriptor: Uncharacterized protein
Authors:Zhang, R, Evdokimova, E, Egorova, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-01-29
Release date:2010-03-16
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3LNP
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BU of 3lnp by Molmil
Crystal Structure of Amidohydrolase family Protein OLEI01672_1_465 from Oleispira antarctica
Descriptor: ACETIC ACID, Amidohydrolase family Protein OLEI01672_1_465, CALCIUM ION, ...
Authors:Kim, Y, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-02-02
Release date:2010-02-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3M16
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BU of 3m16 by Molmil
Structure of a Transaldolase from Oleispira antarctica
Descriptor: Transaldolase
Authors:Singer, A.U, Kagan, O, Zhang, R, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-04
Release date:2010-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3HHU
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BU of 3hhu by Molmil
Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819}
Descriptor: Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate
Authors:Adler, M, Whitlow, M.
Deposit date:2009-05-17
Release date:2009-07-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Potent triazolothione inhibitor of heat-shock protein-90.
Chem.Biol.Drug Des., 74, 2009
3QVM
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BU of 3qvm by Molmil
The structure of olei00960, a hydrolase from Oleispira antarctica
Descriptor: CALCIUM ION, CHLORIDE ION, Olei00960, ...
Authors:Singer, A.U, Kagan, O, Kim, Y, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-02-25
Release date:2011-04-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
5EZS
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BU of 5ezs by Molmil
Venezuelan Equine Encephalitis Virus (VEEV) Nonstructural Protein 2 (nsP2) Cysteine Protease Inhibited by E64d
Descriptor: Non-structural Protein 2 Cysteine Protease, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Legler, P.M.
Deposit date:2015-11-26
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Kinetic, Mutational, and Structural Studies of the Venezuelan Equine Encephalitis Virus Nonstructural Protein 2 Cysteine Protease.
Biochemistry, 55, 2016
5EZQ
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BU of 5ezq by Molmil
Venezuelan Equine Encephalitis Virus (VEEV) Nonstructural protein 2 (nsP2) Cysteine Protease
Descriptor: Non-structural Protein 2 Cysteine Protease
Authors:Compton, J.R, Legler, P.M.
Deposit date:2015-11-26
Release date:2016-04-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Kinetic, Mutational, and Structural Studies of the Venezuelan Equine Encephalitis Virus Nonstructural Protein 2 Cysteine Protease.
Biochemistry, 55, 2016
5K32
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BU of 5k32 by Molmil
PDE4D crystal structure in complex with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ...
Authors:Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J.
Deposit date:2016-05-19
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 61, 2018

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