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7P04
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BU of 7p04 by Molmil
Cryo-EM structure of Pdr5 from Saccharomyces cerevisiae in inward-facing conformation with ADP/ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Pleiotropic ABC efflux transporter of multiple drugs
Authors:Szewczak-Harris, A, Wagner, M, Du, D, Schmitt, L, Luisi, B.F.
Deposit date:2021-06-29
Release date:2021-11-10
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5.
Nat Commun, 12, 2021
3A7A
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BU of 3a7a by Molmil
Crystal structure of E. coli lipoate-protein ligase A in complex with octyl-amp and apoH-protein
Descriptor: ADENOSINE MONOPHOSPHATE, Glycine cleavage system H protein, Lipoate-protein ligase A, ...
Authors:Fujiwara, K, Hosaka, H, Nakagawa, A.
Deposit date:2009-09-20
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A.
J.Biol.Chem., 285, 2010
2NBC
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BU of 2nbc by Molmil
Resonance assignments and structure determination of poneritoxin, omega-PONTX-Ae1a, from Anochetus emarginatus
Descriptor: poneritoxin
Authors:Chin, Y.K.-Y, Touchard, A, King, G.F.
Deposit date:2016-02-03
Release date:2017-01-11
Method:SOLUTION NMR
Cite:Isolation and characterization of a structurally unique beta-hairpin venom peptide from the predatory ant Anochetus emarginatus.
Biochim.Biophys.Acta, 1860, 2016
8JTD
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BU of 8jtd by Molmil
BJOX2000.664 trimer in complex with Fab fragment of broadly neutralizing HIV antibody PGT145
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ...
Authors:Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V.
Deposit date:2023-06-21
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
3A7U
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BU of 3a7u by Molmil
Crystal structure of the bovine lipoyltransferase in its unliganded form
Descriptor: Lipoyltransferase 1, mitochondrial
Authors:Fujiwara, K, Hosaka, H, Nakagawa, A.
Deposit date:2009-10-05
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A.
J.Biol.Chem., 285, 2010
8JZ0
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BU of 8jz0 by Molmil
Crystal structure of a single-chain monellin mutant C41A
Descriptor: Monellin chain B,Monellin chain A
Authors:Yasui, N, Ohnuma, K, Yamashita, A.
Deposit date:2023-07-04
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.229 Å)
Cite:Investigating the Effect of Substituting a Single Cysteine Residue on the Thermal Stability of an Engineered Sweet Protein, Single-Chain Monellin.
Protein J., 42, 2023
8JTM
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BU of 8jtm by Molmil
CNE55.664 trimer in complex with broadly neutralizing HIV antibody PGT145
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PGT145 antibody fragment, ...
Authors:Chatterjee, A, Chen, C, Lee, K, Mangala Prasad, V.
Deposit date:2023-06-22
Release date:2023-10-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (5.14 Å)
Cite:An HIV-1 broadly neutralizing antibody overcomes structural and dynamic variation through highly focused epitope targeting.
Npj Viruses, 1, 2023
8JZ1
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BU of 8jz1 by Molmil
Crystal structure of a single-chain monellin mutant C41V
Descriptor: Monellin chain B,Monellin chain A
Authors:Yasui, N, Ohnuma, K, Yamashita, A.
Deposit date:2023-07-04
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.239 Å)
Cite:Investigating the Effect of Substituting a Single Cysteine Residue on the Thermal Stability of an Engineered Sweet Protein, Single-Chain Monellin.
Protein J., 42, 2023
3AE5
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BU of 3ae5 by Molmil
Crystal structure of porcine heart mitochondrial complex II bound with 2-Methyl-N-(3-isopropoxy-phenyl)-benzamide
Descriptor: 2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K.
Deposit date:2010-02-04
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Crystal structure of porcine heart mitochondrial complex II bound with 2-Methyl-N-(3-isopropoxy-phenyl)-benzamide
To be Published
3II7
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BU of 3ii7 by Molmil
Crystal structure of the kelch domain of human KLHL7
Descriptor: 1,2-ETHANEDIOL, Kelch-like protein 7
Authors:Chaikuad, A, Thangaratnarajah, C, Cooper, C.D.O, Ugochukwu, E, Muniz, J.R.C, Krojer, T, Sethi, R, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2009-07-31
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases.
J.Biol.Chem., 288, 2013
8K4R
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BU of 8k4r by Molmil
Structure of VinM-VinL complex
Descriptor: Acyl-carrier-protein, Non-ribosomal peptide synthetase, SODIUM ION, ...
Authors:Miyanaga, A, Nagata, K, Nakajima, J, Chisuga, T, Kudo, F, Eguchi, T.
Deposit date:2023-07-20
Release date:2023-11-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Amide-Forming Adenylation Enzyme VinM in Vicenistatin Biosynthesis.
Acs Chem.Biol., 18, 2023
4J0S
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BU of 4j0s by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-31
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
2NP3
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BU of 2np3 by Molmil
Crystal structure of TetR-family regulator (SCO0857) from Streptomyces coelicolor A3.
Descriptor: Putative TetR-family regulator
Authors:Koclega, K.D, Xu, X, Chruszcz, M, Gu, J, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-10-26
Release date:2006-11-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of TetR-family regulator (SCO0857) from Streptomyces coelicolor A3.
To be Published
2VWA
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BU of 2vwa by Molmil
Crystal structure of a sporozoite protein essential for liver stage development of malaria parasite
Descriptor: PHOSPHATIDYLETHANOLAMINE, PUTATIVE UNCHARACTERIZED PROTEIN PF13_0012
Authors:Sharma, A, Sharma, A, Yogavel, M, Gill, J, Akhouri, R.R.
Deposit date:2008-06-20
Release date:2008-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Soluble Domain of Malaria Sporozoite Protein Uis3 in Complex with Lipid.
J.Biol.Chem., 283, 2008
6HB8
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BU of 6hb8 by Molmil
Crystal structure of OXA-517 beta-lactamase
Descriptor: 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, Beta-lactamase, ...
Authors:Raczynska, J.E, Dabos, L, Zavala, A, Retailleau, P, Iorga, B, Jaskolski, M, Naas, T.
Deposit date:2018-08-09
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Genetic, biochemical and structural characterization of OXA-517, an OXA-48-like extended-spectrum cephalosporins and carbapenems-hydrolyzing beta-lactamase
To Be Published
4IV3
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BU of 4iv3 by Molmil
Crystal structure of recombinant foot-and-mouth-disease virus A22-H2093C empty capsid
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Porta, C, Kotecha, A, Burman, A, Jackson, T, Ren, J, Loureiro, S, Jones, I.M, Fry, E.E, Stuart, D.I, Charleston, B.
Deposit date:2013-01-22
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rational engineering of recombinant picornavirus capsids to produce safe, protective vaccine antigen.
Plos Pathog., 9, 2013
4DJ2
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BU of 4dj2 by Molmil
Unwinding the Differences of the Mammalian PERIOD Clock Proteins from Crystal Structure to Cellular Function
Descriptor: Period circadian protein homolog 1
Authors:Kucera, N, Schmalen, I, Hennig, S, Oellinger, R, Strauss, H.M, Grudziecki, A, Wieczorek, C, Kramer, A, Wolf, E.
Deposit date:2012-02-01
Release date:2012-02-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Unwinding the differences of the mammalian PERIOD clock proteins from crystal structure to cellular function.
Proc.Natl.Acad.Sci.USA, 109, 2012
4IW0
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BU of 4iw0 by Molmil
Crystal structure and mechanism of activation of TBK1
Descriptor: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Larabi, A, Devos, J.M, Ng, S.-L, Nanao, M.H, Round, A, Maniatis, T, Panne, D.
Deposit date:2013-01-23
Release date:2013-03-13
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
6HHE
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BU of 6hhe by Molmil
Crystal structure of the medfly Odorant Binding Protein CcapOBP22/CcapOBP69a
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Odorant binding protein OBP69a, SULFATE ION
Authors:Falchetto, M, Ciossani, G, Nenci, S, Mattevi, A, Gasperi, G, Forneris, F.
Deposit date:2018-08-28
Release date:2018-12-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:Structural and biochemical evaluation of Ceratitis capitata odorant-binding protein 22 affinity for odorants involved in intersex communication.
Insect Mol.Biol., 28, 2019
4IWS
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BU of 4iws by Molmil
Putative Aromatic Acid Decarboxylase
Descriptor: PA0254, SULFATE ION
Authors:Jacewicz, A, Izumi, A, Brunner, K, Schneider, G.
Deposit date:2013-01-24
Release date:2013-05-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into the UbiD Protein Family from the Crystal Structure of PA0254 from Pseudomonas aeruginosa.
Plos One, 8, 2013
6HHN
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BU of 6hhn by Molmil
Crystal structure of L-rhamnose mutarotase FA22100 from Formosa agariphila
Descriptor: L-rhamnose mutarotase
Authors:Roret, T, Prechoux, A, Michel, G, Czjzek, M.
Deposit date:2018-08-28
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A marine bacterial enzymatic cascade degrades the algal polysaccharide ulvan.
Nat.Chem.Biol., 15, 2019
6HIE
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BU of 6hie by Molmil
The ATAD2 bromodomain in complex with compound 17
Descriptor: (2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2018-08-29
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
3ICT
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BU of 3ict by Molmil
Crystal structure of reduced Bacillus anthracis CoADR-RHD
Descriptor: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, Coenzyme A-Disulfide Reductase, ...
Authors:Wallen, J.R, Claiborne, A.
Deposit date:2009-07-18
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and catalytic properties of Bacillus anthracis CoADR-RHD: implications for flavin-linked sulfur trafficking.
Biochemistry, 48, 2009
2NP5
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BU of 2np5 by Molmil
Crystal structure of a transcriptional regulator (RHA1_ro04179) from Rhodococcus sp. Rha1.
Descriptor: DODECYL-BETA-D-MALTOSIDE, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, Transcriptional regulator
Authors:Chruszcz, M, Evdokimova, E, Kagan, O, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-10-26
Release date:2006-11-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a transcriptional regulator (RHA1_ro04179) from Rhodococcus sp. Rha1.
TO BE PUBLISHED
6HNO
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BU of 6hno by Molmil
17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant H93A
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Bertoletti, N, Heine, A, Klebe, G, Marchais-Oberwinkler, S.
Deposit date:2018-09-17
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14.
J.Steroid Biochem.Mol.Biol., 189, 2019

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