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6HFS
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BU of 6hfs by Molmil
Human dihydroorotase mutant F1563Y co-crystallized with carbamoyl aspartate at pH 6.5
Descriptor: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ...
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34904516 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
3I0U
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BU of 3i0u by Molmil
Structure of the type III effector/phosphothreonine lyase OspF from Shigella flexneri
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphothreonine lyase ospF
Authors:Singer, A.U, Skarina, T, Nocek, B, Gordon, R, Lam, R, Kagan, O, Edwards, A.M, Joachimiak, A, Chirgadze, N.Y, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-06-25
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the type III effector/phosphothreonine lyase OspF from Shigella flexneri
TO BE PUBLISHED
3DAL
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BU of 3dal by Molmil
Methyltransferase domain of human PR domain-containing protein 1
Descriptor: PR domain zinc finger protein 1
Authors:Amaya, M.F, Zeng, H, Antoshenko, T, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2008-05-29
Release date:2008-08-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of methyltransferase domain of human PR domain-containing protein 1
To be Published
4KB4
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BU of 4kb4 by Molmil
Crystal structure of ribosome recycling factor mutant R31A from Mycobacterium tuberculosis
Descriptor: CADMIUM ION, Ribosome-recycling factor
Authors:Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M.
Deposit date:2013-04-23
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants.
J.Biosci., 38, 2013
8C8R
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BU of 8c8r by Molmil
In situ structure of the Nitrosopumilus maritimus S-layer - Composite map between C2 and C6
Descriptor: Cell surface protein
Authors:von Kuegelgen, A, Bharat, T.
Deposit date:2023-01-20
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Membraneless channels sieve cations in ammonia-oxidizing marine archaea.
Nature, 630, 2024
2WW2
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BU of 2ww2 by Molmil
Structure of the Family GH92 Inverting Mannosidase BT2199 from Bacteroides thetaiotaomicron VPI-5482
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, ALPHA-1,2-MANNOSIDASE, ...
Authors:Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
6H1B
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BU of 6h1b by Molmil
Structure of amide bond synthetase Mcba K483A mutant from Marinactinospora thermotolerans
Descriptor: 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid, ADENOSINE MONOPHOSPHATE, Fatty acid CoA ligase
Authors:Rowlinson, B, Petchey, M, Cuetos, A, Frese, A, Dannevald, S, Grogan, G.
Deposit date:2018-07-11
Release date:2018-09-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Broad Aryl Acid Specificity of the Amide Bond Synthetase McbA Suggests Potential for the Biocatalytic Synthesis of Amides.
Angew. Chem. Int. Ed. Engl., 57, 2018
8RKF
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BU of 8rkf by Molmil
Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2
Authors:Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L.
Deposit date:2023-12-25
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
6OY4
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BU of 6oy4 by Molmil
Crystal structure of complex between recombinant Der p 2.0103 and Fab fragment of 7A1
Descriptor: Der p 2 variant 3, Fab fragment of IgG, HEAVY CHAIN, ...
Authors:Kapingidza, A.B, Offermann, L.R, Glesner, J, Wunschmann, S, Vailes, L.D, Chapman, M.D.C, Pomes, A, Chruszcz, M.
Deposit date:2019-05-14
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A Human IgE Antibody Binding Site on Der p 2 for the Design of a Recombinant Allergen for Immunotherapy.
J Immunol., 203, 2019
1H8B
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BU of 1h8b by Molmil
EF-hands 3,4 from alpha-actinin / Z-repeat 7 from titin
Descriptor: ALPHA-ACTININ 2, SKELETAL MUSCLE ISOFORM, TITIN
Authors:Atkinson, R.A, Joseph, C, Kelly, G, Muskett, F.W, Frenkiel, T.A, Nietlispach, D, Pastore, A.
Deposit date:2001-02-01
Release date:2001-08-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ca2+-Independent Binding of an EF-Hand Domain to a Novel Motif in the Alpha-Actinin-Titin Complex
Nat.Struct.Biol., 8, 2001
6OYF
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BU of 6oyf by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FORMIC ACID, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-14
Release date:2019-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
3DAX
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BU of 3dax by Molmil
Crystal structure of human CYP7A1
Descriptor: Cytochrome P450 7A1, PROTOPORPHYRIN IX CONTAINING FE, UNKNOWN ATOM OR ION
Authors:Strushkevich, N.V, Tempel, W, Dombrovski, L, Dong, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-05-30
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human CYP7A1
To be Published
8CAT
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BU of 8cat by Molmil
The NADPH binding site on beef liver catalase
Descriptor: CATALASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Murthy, M.R.N, Reid III, T.J, Sicignano, A, Tanaka, N, Fita, I, Rossmann, M.G.
Deposit date:1984-11-15
Release date:1985-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The NADPH binding site on beef liver catalase.
Proc.Natl.Acad.Sci.USA, 82, 1985
6ON2
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BU of 6on2 by Molmil
Lon Protease from Yersinia pestis with Y2853 substrate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent protease La, ...
Authors:Shin, M, Asmita, A, Puchades, C, Adjei, E, Wiseman, R.L, Karzai, A.W, Lander, G.C.
Deposit date:2019-04-19
Release date:2019-05-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for distinct operational modes and protease activation in AAA+ protease Lon.
Sci Adv, 6, 2020
5NGQ
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BU of 5ngq by Molmil
Bicyclic antimicrobial peptides
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-PRO-ALD-CYS-TYD-ALA-CYD-LYS-ALA, ...
Authors:Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2017-03-20
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
2WUL
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BU of 2wul by Molmil
CRYSTAL STRUCTURE OF THE HUMAN GLUTAREDOXIN 5 WITH BOUND GLUTATHIONE IN AN FES CLUSTER
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Roos, A.K, Johansson, C, Guo, K, Yue, W.W, Pike, A.C.W, Cooper, C.D.O, Pilka, E.S, Kavanagh, K.L, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-10-06
Release date:2009-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of Human Glrx5: Iron Sulphur Cluster Coordination, Tetrameric Assembly and Monomer Activity.
Biochem.J., 433, 2011
6O5R
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BU of 6o5r by Molmil
Room temperature structure of binary complex of native hAChE with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, CHLORIDE ION
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
5LO9
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BU of 5lo9 by Molmil
Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ...
Authors:Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2016-08-08
Release date:2016-10-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase.
J.Biol.Chem., 291, 2016
1KGM
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BU of 1kgm by Molmil
SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI
Descriptor: SERINE PROTEASE INHIBITOR I
Authors:Gaspari, Z, Patthy, A, Graf, L, Perczel, A.
Deposit date:2001-11-28
Release date:2001-12-12
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002
6ONU
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BU of 6onu by Molmil
Complex structure of WhiB1 and region 4 of SigA in P21 space group.
Descriptor: DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ...
Authors:Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M.
Deposit date:2019-04-22
Release date:2019-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis.
Nucleic Acids Res., 48, 2020
6OOL
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BU of 6ool by Molmil
Structural elucidation of the Ectodomain of mouse UNC5H2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Netrin receptor UNC5B, ...
Authors:Stetefeld, J, McDougall, M.D, Loewen, P.C, Moya, A, Meier, M.
Deposit date:2019-04-23
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural elucidation of the Ectodomain of mouse UNC5H2
To be published
3DFA
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BU of 3dfa by Molmil
Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum
Descriptor: Calcium-dependent protein kinase cgd3_920
Authors:Wernimont, A.K, Lew, J, Lin, Y.H, Hassanali, A, Khuu, C, Alam, Z, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
Deposit date:2008-06-11
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of kinase domain of calcium-dependent protein kinase cgd3_920 from Cryptosporidium parvum.
To be Published
6GL2
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BU of 6gl2 by Molmil
Structure of ZgEngAGH5_4 wild type at 1.2 Angstrom resolution
Descriptor: Endoglucanase, family GH5, IMIDAZOLE
Authors:Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S.
Deposit date:2018-05-22
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
1KS2
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BU of 1ks2 by Molmil
Crystal Structure Analysis of the rpiA, Structural Genomics, protein EC1268.
Descriptor: protein EC1268, RPIA
Authors:Zhang, R, Joachimiak, A, Edwards, A.M, Skarina, T, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-01-10
Release date:2002-08-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Escherichia coli ribose-5-phosphate isomerase: a ubiquitous enzyme of the pentose phosphate pathway and the Calvin cycle.
STRUCTURE, 11, 2003
1HFR
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BU of 1hfr by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998

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