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1PDX
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BU of 1pdx by Molmil
PUTIDAREDOXIN
Descriptor: FE2/S2 (INORGANIC) CLUSTER, PROTEIN (PUTIDAREDOXIN)
Authors:Pochapsky, T.C, Jain, N.U, Kuti, M, Lyons, T.A, Heymont, J.
Deposit date:1999-02-15
Release date:1999-05-12
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A refined model for the solution structure of oxidized putidaredoxin.
Biochemistry, 38, 1999
4RG8
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BU of 4rg8 by Molmil
Structural and biochemical studies of a moderately thermophilic Exonuclease I from Methylocaldum szegediense
Descriptor: Exonuclease I, MAGNESIUM ION
Authors:Fei, L, Tian, S, Moysey, R, Misca, M, Barker, J.J, Smith, M.A, McEwan, P.A, Pilka, E.S, Crawley, L, Evans, T, Sun, D.
Deposit date:2014-09-29
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural and Biochemical Studies of a Moderately Thermophilic Exonuclease I from Methylocaldum szegediense.
Plos One, 10, 2015
3ZH8
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BU of 3zh8 by Molmil
A novel small molecule aPKC inhibitor
Descriptor: (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Kjaer, S, Purkiss, A.G, Kostelecky, B, Knowles, P.P, Soriano, E, Murray-Rust, J, McDonald, N.Q.
Deposit date:2012-12-20
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.739 Å)
Cite:Adenosine-Binding Motif Mimicry and Cellular Effects of a Thieno[2,3-D]Pyrimidine-Based Chemical Inhibitor of Atypical Protein Kinase C Isozymes.
Biochem.J., 451, 2013
4ISV
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BU of 4isv by Molmil
Crystal structure of the Fab FRAGMENT OF 1C2, A MONOCLONAL ANTIBODY SPECIFIC FOR POLY-GLUTAMINE
Descriptor: 1C2 FAB HEAVY CHAIN, 1C2 FAB LIGHT CHAIN
Authors:Klein, F.A.C, Zeder-Lutz, G, Cousido-Siah, A, Mitschler, A, Katz, A, Eberling, P, Mandel, J.L, Podjarny, A, Trottier, Y.
Deposit date:2013-01-17
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Linear and extended: a common polyglutamine conformation recognized by the three antibodies MW1, 1C2 and 3B5H10.
Hum.Mol.Genet., 22, 2013
1N09
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BU of 1n09 by Molmil
A minimal beta-hairpin peptide scaffold for beta-turn display
Descriptor: bhpW, disulfide cyclized beta-hairpin peptide
Authors:Russell, S.J, Blandl, T, Skelton, N.J, Cochran, A.G.
Deposit date:2002-10-11
Release date:2003-02-04
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Stability of cyclic beta-hairpins: asymmetric contributions from side chains of a hydrogen-bonded cross-strand residue pair
J.Am.Chem.Soc., 125, 2003
1ONG
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BU of 1ong by Molmil
SHV-1 beta-lactamase with a penem inhibitor
Descriptor: 7-(5,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]OXAZIN-2-YL)-6-FORMYL-2,7-DIHYDRO- [1,4]THIAZEPINE-3-CARBOXYLIC ACID, BETA-LACTAMASE SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Nukaga, M, Mayama, K, Bonomo, R.A, Knox, J.R.
Deposit date:2003-02-27
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Inhibition of Class A and Class C Beta-Lactamases by Penems: Crystallographic Structures of a Novel 1,4-Thiazepine Intermediate
Biochemistry, 42, 2003
6CHX
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BU of 6chx by Molmil
High Resolution Crystal Structure of the Hemagglutinin H1 Head Domain of Influenza A virus Solomon Islands
Descriptor: Hemagglutinin
Authors:Dong, J, Sevy, A.M, Crowe, J.E.
Deposit date:2018-02-23
Release date:2019-02-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High Resolution Crystal Structure of the Hemagglutinin H1 Head Domain of Influenza A virus Solomon Islands
To Be Published
1N49
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BU of 1n49 by Molmil
Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy
Descriptor: Protease, RITONAVIR
Authors:Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
Deposit date:2002-10-30
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant: Structural Insights for Better Antiviral Therapy
J.VIROL., 77, 2003
5AWL
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BU of 5awl by Molmil
CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025
Descriptor: A mutant of Chignolin, CLN025
Authors:Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S.
Deposit date:2015-07-05
Release date:2015-08-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Crystal structure of a ten-amino acid protein
J.Am.Chem.Soc., 130, 2008
5ZC9
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BU of 5zc9 by Molmil
Crystal structure of the human eIF4A1-ATP analog-RocA-polypurine RNA complex
Descriptor: (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ...
Authors:Iwasaki, W, Takahashi, M, Sakamoto, A, Iwasaki, S, Ito, T.
Deposit date:2018-02-16
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Translation Inhibitor Rocaglamide Targets a Bimolecular Cavity between eIF4A and Polypurine RNA.
Mol. Cell, 73, 2019
7X56
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BU of 7x56 by Molmil
A CBg-ParM filament with ADP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ParM/StbA family protein
Authors:Koh, A, Ali, S, Robinson, R, Narita, A.
Deposit date:2022-03-04
Release date:2023-03-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published
7X59
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BU of 7x59 by Molmil
A CBg-ParM filament with GTP or GDPPi
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, ParM/StbA family protein
Authors:Koh, A, Ali, S, Robinson, R, Narita, A.
Deposit date:2022-03-04
Release date:2023-03-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published
7X55
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BU of 7x55 by Molmil
A CBg-ParM filament with GTP and a short incubation time
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, ParM/StbA family protein
Authors:Koh, A, Ali, S, Robinson, R, Narita, A.
Deposit date:2022-03-04
Release date:2023-03-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published
1MBL
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BU of 1mbl by Molmil
A catalytically-impaired class A beta-lactamase: 2 Angstroms crystal structure and kinetics of the Bacillus licheniformis E166A mutant
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Knox, J.R, Moews, P.C.
Deposit date:1992-08-17
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A catalytically-impaired class A beta-lactamase: 2 A crystal structure and kinetics of the Bacillus licheniformis E166A mutant.
Protein Eng., 6, 1993
417D
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BU of 417d by Molmil
A THYMINE-LIKE BASE ANALOGUE FORMS WOBBLE PAIRS WITH ADENINE
Descriptor: DNA (5'-D(*CP*AP*CP*GP*(C46)P*G)-3')
Authors:Lin, P.K.T, Schuerman, M.H, Moore, G.S, Van Meervelt, L, Loakes, D, Brown, D.M, Moore, M.H.
Deposit date:1998-07-15
Release date:1998-09-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A thymine-like base analogue forms wobble pairs with adenine in a Z-DNA duplex.
J.Mol.Biol., 282, 1998
4AO7
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BU of 4ao7 by Molmil
Zinc bound structure of a novel cold-adapted esterase from an Arctic intertidal metagenomic library
Descriptor: ESTERASE, ZINC ION
Authors:Fu, J, Leiros, H.-K.S, Pascale, D.d, Johnson, K.A, Blencke, H.M, Landfald, B.
Deposit date:2012-03-23
Release date:2012-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Functional and Structural Studies of a Novel Cold-Adapted Esterase from an Arctic Intertidal Metagenomic Library.
Appl.Microbiol.Biotechnol., 97, 2013
7X54
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BU of 7x54 by Molmil
A CBg-ParM filament with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ParM/StbA family protein
Authors:Koh, A, Ali, S, Robinson, R, Narita, A.
Deposit date:2022-03-04
Release date:2023-03-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published
6CXN
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BU of 6cxn by Molmil
HRFLRH peptide NMR structure
Descriptor: Hexapeptide HRFLRH
Authors:Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
Deposit date:2018-04-03
Release date:2018-07-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018
4RUY
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BU of 4ruy by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide
Descriptor: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
2WP2
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BU of 2wp2 by Molmil
Structure of Brdt bromodomain BD1 bound to a diacetylated histone H4 peptide.
Descriptor: BROMODOMAIN TESTIS-SPECIFIC PROTEIN, HISTONE H4
Authors:Moriniere, J, Rousseaux, S, Steuerwald, U, Soler-Lopez, M, Curtet, S, Vitte, A.-L, Govin, J, Gaucher, J, Sadoul, K, Hart, D.J, Krijgsveld, J, Khochbin, S, Mueller, C.W, Petosa, C.
Deposit date:2009-08-02
Release date:2009-09-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Cooperative Binding of Two Acetylation Marks on a Histone Tail by a Single Bromodomain.
Nature, 461, 2009
3EHB
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BU of 3ehb by Molmil
A D-Pathway Mutation Decouples the Paracoccus Denitrificans Cytochrome c Oxidase by Altering the side chain orientation of a distant, conserved Glutamate
Descriptor: CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1-beta, ...
Authors:Koepke, J, Mueller, H, Peng, G.
Deposit date:2008-09-12
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A d-pathway mutation decouples the paracoccusdenitrificans cytochrome C oxidase by altering the side-chain orientation of a distant conserved glutamate
J.Mol.Biol., 384, 2008
6CXQ
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BU of 6cxq by Molmil
HRFLRH peptide NMR structure in the presence of CO2
Descriptor: Hexapeptide HRFLRH
Authors:Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
Deposit date:2018-04-03
Release date:2018-07-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018
4JJ5
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BU of 4jj5 by Molmil
CRYSTAL STRUCTURE OF THE Fab FRAGMENT OF 1C2, A MONOCLONAL ANTIBODY SPECIFIC for POLY-GLUTAMINE
Descriptor: 1C2 FAB HEAVY CHAIN, 1C2 FAB LIGHT CHAIN
Authors:Klein, F.A.C, Zeder-Lutz, G, Cousido-Siah, A, Mitschler, A, Katz, A, Eberling, P, Mandel, J.L, Podjarny, A, Trottier, Y.
Deposit date:2013-03-07
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Linear and extended: a common polyglutamine conformation recognized by the three antibodies MW1, 1C2 and 3B5H10.
Hum.Mol.Genet., 22, 2013
6HRT
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BU of 6hrt by Molmil
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 12-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-9-hydroxy-6-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,11,13-pentaen-5-one
Descriptor: (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Janson, C.
Deposit date:2018-09-28
Release date:2019-03-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.
Bioorg.Med.Chem.Lett., 29, 2019
4KBL
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BU of 4kbl by Molmil
Structure of HHARI, a RING-IBR-RING ubiquitin ligase: autoinhibition of an Ariadne-family E3 and insights into ligation mechanism
Descriptor: E3 ubiquitin-protein ligase ARIH1, ZINC ION
Authors:Duda, D.M, Olszewski, J.L, Schulman, B.A.
Deposit date:2013-04-23
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of HHARI, a RING-IBR-RING Ubiquitin Ligase: Autoinhibition of an Ariadne-Family E3 and Insights into Ligation Mechanism.
Structure, 21, 2013

224004

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