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4W1X
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BU of 4w1x by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone
Descriptor: 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
6XGT
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BU of 6xgt by Molmil
Crystal structure of cyanase from the thermophilic fungus Thermomyces lanuginosus
Descriptor: Cyanate hydratase, FORMIC ACID, MALONATE ION
Authors:Choi, P.H, Ranjan, B, Tong, L.
Deposit date:2020-06-18
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a thermophilic fungal cyanase and its implications on the catalytic mechanism for bioremediation.
Sci Rep, 11, 2021
1W27
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BU of 1w27 by Molmil
Phenylalanine ammonia-lyase (PAL) from Petroselinum crispum
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, PHENYLALANINE AMMONIA-LYASE 1
Authors:Ritter, H, Schulz, G.E.
Deposit date:2004-06-29
Release date:2004-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for the Entrance Into the Phenylpropanoid Metabolism Catalyzed by Phenylalanine Ammonia-Lyase
Plant Cell, 16, 2004
5W6O
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BU of 5w6o by Molmil
Choline Kinase Alpha in Complex with TCD-717
Descriptor: 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kall, S.K, Lavie, A.
Deposit date:2017-06-16
Release date:2018-02-14
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of a Unique Inhibitor-Binding Site on Choline Kinase alpha.
Biochemistry, 57, 2018
3VIR
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BU of 3vir by Molmil
Crystal strcture of Swi5 from fission yeast
Descriptor: Mating-type switching protein swi5, octyl beta-D-glucopyranoside
Authors:Kuwabara, N, Yamada, N, Hashimoto, H, Sato, M, Iwasaki, H, Shimizu, T.
Deposit date:2011-10-06
Release date:2012-08-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanistic insights into the activation of Rad51-mediated strand exchange from the structure of a recombination activator, the Swi5-Sfr1 complex
Structure, 20, 2012
1MV8
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BU of 1mv8 by Molmil
1.55 A crystal structure of a ternary complex of GDP-mannose dehydrogenase from Psuedomonas aeruginosa
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, GDP-mannose 6-dehydrogenase, ...
Authors:Snook, C.F, Tipton, P.A, Beamer, L.J.
Deposit date:2002-09-24
Release date:2003-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The crystal structure of GDP-mannose dehydrogenase: A key enzyme in alginate biosynthesis of P. aeruginosa
Biochemistry, 42, 2003
4W5I
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BU of 4w5i by Molmil
Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one
Descriptor: 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2014-08-18
Release date:2015-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Bioorg.Med.Chem., 23, 2015
1MWA
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BU of 1mwa by Molmil
2C/H-2KBM3/DEV8 ALLOGENEIC COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2C T CELL RECEPTOR ALPHA CHAIN, ...
Authors:Luz, J.G, Huang, M.D, Garcia, K.C, Rudolph, M.G, Teyton, L, Wilson, I.A.
Deposit date:2002-09-27
Release date:2002-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially increasing V(beta) Interactions.
J.EXP.MED., 195, 2002
6XIP
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BU of 6xip by Molmil
The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2
Descriptor: 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8
Authors:Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
6XWB
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BU of 6xwb by Molmil
Crystal structure of an R-selective transaminase from Thermomyces stellatus.
Descriptor: 1,2-ETHANEDIOL, PYRIDOXAL-5'-PHOSPHATE, R-selective transaminase, ...
Authors:Gourlay, L.J.
Deposit date:2020-01-23
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An ( R )-Selective Transaminase From Thermomyces stellatus : Stabilizing the Tetrameric Form.
Front Bioeng Biotechnol, 8, 2020
6XWT
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BU of 6xwt by Molmil
drosophila melanogaster CENP-A/H4 bound to N-terminal CAL1 fragment
Descriptor: Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4
Authors:Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P.
Deposit date:2020-01-24
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1.
Embo J., 39, 2020
1W3I
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BU of 1w3i by Molmil
Sulfolobus solfataricus 2-keto-3-deoxygluconate (KDG) aldolase complex with pyruvate
Descriptor: 2-KETO-3-DEOXY GLUCONATE ALDOLASE, GLYCEROL, PYRUVIC ACID
Authors:Theodossis, A, Walden, H, Westwick, E.J, Connaris, H, Lamble, H.J, Hough, D.W, Danson, M.J, Taylor, G.L.
Deposit date:2004-07-15
Release date:2004-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structural basis for substrate promiscuity in 2-keto-3-deoxygluconate aldolase from the Entner-Doudoroff pathway in Sulfolobus solfataricus.
J. Biol. Chem., 279, 2004
4W2G
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BU of 4w2g by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with pactamycin (soaked), mRNA and three deacylated tRNAs in the A, P and E sites
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V.
Deposit date:2014-09-12
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
1MT5
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BU of 1mt5 by Molmil
CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE
Descriptor: Fatty-acid amide hydrolase, METHYL ARACHIDONYL FLUOROPHOSPHONATE
Authors:Bracey, M.H, Hanson, M.A, Masuda, K.R, Stevens, R.C, Cravatt, B.F.
Deposit date:2002-09-20
Release date:2002-12-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Adaptations in a Membrane Enzyme That Terminates Endocannabinoid Signaling
science, 298, 2002
6XY1
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BU of 6xy1 by Molmil
Crystal structure of a de novo designed parallel four-helix coiled coil, 4-KE-4.
Descriptor: 4-KE-4
Authors:Edgell, C.L, Savery, N.J, Woolfson, D.N.
Deposit date:2020-01-29
Release date:2020-03-18
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:RobustDe Novo-Designed Homotetrameric Coiled Coils.
Biochemistry, 59, 2020
6XYA
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BU of 6xya by Molmil
Cap-binding domain of SFTSV L protein
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, RNA-dependent RNA polymerase, SODIUM ION
Authors:Gogrefe, N, Guenther, S, Rosenthal, M.
Deposit date:2020-01-30
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein.
Nucleic Acids Res., 48, 2020
1N17
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BU of 1n17 by Molmil
Structure and Dynamics of Thioguanine-modified Duplex DNA
Descriptor: 5'-D(*GP*CP*TP*AP*AP*GP*(S6G)P*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3'
Authors:Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W.
Deposit date:2002-10-16
Release date:2002-10-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and dynamics of thioguanine-modified duplex DNA
J.Biol.Chem., 278, 2003
5VSK
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BU of 5vsk by Molmil
Structure of DUB complex
Descriptor: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
Authors:Seo, H.-Y, Dhe-Paganon, S.
Deposit date:2017-05-11
Release date:2017-12-20
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
4WAC
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BU of 4wac by Molmil
Crystal Structure of TarM
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Koc, C, Stehle, T, Xia, G, Peschel, A.
Deposit date:2014-08-29
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid.
J.Biol.Chem., 290, 2015
4ZWC
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BU of 4zwc by Molmil
Crystal structure of maltose-bound human GLUT3 in the outward-open conformation at 2.6 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ...
Authors:Deng, D, Sun, P.C, Yan, C.Y, Yan, N.
Deposit date:2015-05-19
Release date:2015-07-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of ligand recognition and transport by glucose transporters
Nature, 526, 2015
5VXH
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BU of 5vxh by Molmil
Crystal structure of Xanthomonas campestris OleA E117D
Descriptor: 3-oxoacyl-[ACP] synthase III, GLYCEROL, PHOSPHATE ION
Authors:Jensen, M.R, Wilmot, C.M.
Deposit date:2017-05-23
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:OleA Glu117 is key to condensation of two fatty-acyl coenzyme A substrates in long-chain olefin biosynthesis.
Biochem. J., 474, 2017
1W6Q
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BU of 1w6q by Molmil
X-RAY CRYSTAL STRUCTURE OF R111H HUMAN GALECTIN-1
Descriptor: BETA-MERCAPTOETHANOL, GALECTIN-1
Authors:Lopez-Lucendo, M.I.F, Gabius, H.J, Romero, A.
Deposit date:2004-08-21
Release date:2004-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Growth-Regulatory Human Galectin-1: Crystallographic Characterisation of the Structural Changes Induced by Single-Site Mutations and Their Impact on the Thermodynamics of Ligand Binding
J.Mol.Biol., 343, 2004
6RAI
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BU of 6rai by Molmil
Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
5VTE
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BU of 5vte by Molmil
Hetero antiparallel coiled coil hexamer formed by de novo peptides
Descriptor: de novo peptide 1, de novo peptide 2
Authors:Spencer, R.K, Hochbaum, A.I.
Deposit date:2017-05-16
Release date:2017-10-04
Last modified:2022-12-14
Method:X-RAY DIFFRACTION (2.023 Å)
Cite:The Phe-Ile Zipper: A Specific Interaction Motif Drives Antiparallel Coiled-Coil Hexamer Formation.
Biochemistry, 56, 2017
4ZXS
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BU of 4zxs by Molmil
HSV-1 nuclear egress complex
Descriptor: CHLORIDE ION, NICKEL (II) ION, SODIUM ION, ...
Authors:Bigalke, J.M, Heldwein, E.E.
Deposit date:2015-05-20
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.772 Å)
Cite:Structural basis of membrane budding by the nuclear egress complex of herpesviruses.
Embo J., 34, 2015

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