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5TGD
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BU of 5tgd by Molmil
Crystal structure of FolM Alternative dihydrofolate reductase 1 from Brucella suis in complex with NADP
Descriptor: 1,2-ETHANEDIOL, FolM Alternative dihydrofolate reductase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-09-27
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of FolM alternative dihydrofolate reductase 1 from Brucella suis and Brucella canis.
Acta Crystallogr.,Sect.F, 78, 2022
2OO8
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BU of 2oo8 by Molmil
Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors
Descriptor: Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
Authors:Bellon, S.F, Kim, J.
Deposit date:2007-01-25
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2OME
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BU of 2ome by Molmil
Crystal structure of human CTBP2 dehydrogenase complexed with NAD(H)
Descriptor: C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Pilka, E.S, Guo, K, Rojkova, A, Debreczeni, J.E, Kavanagh, K.L, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-01-22
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human CTBP2 dehydrogenase complexed with NAD(H)
To be Published
5HCC
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BU of 5hcc by Molmil
Ternary complex of human Complement C5 with Ornithodoros moubata OmCI and Dermacentor andersoni RaCI3.
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jore, M.M, Johnson, S, Lea, S.M.
Deposit date:2016-01-04
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for therapeutic inhibition of complement C5.
Nat.Struct.Mol.Biol., 23, 2016
1R4N
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BU of 1r4n by Molmil
APPBP1-UBA3-NEDD8, an E1-ubiquitin-like protein complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like protein NEDD8, ZINC ION, ...
Authors:Walden, H, Podgorski, M.S, Holton, J.M, Schulman, B.A.
Deposit date:2003-10-07
Release date:2003-12-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The structure of the APPBP1-UBA3-NEDD8-ATP complex reveals the basis for selective ubiquitin-like protein activation by an E1.
Mol.Cell, 12, 2003
2OMV
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BU of 2omv by Molmil
Crystal structure of InlA S192N Y369S/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
1RD5
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BU of 1rd5 by Molmil
Crystal structure of Tryptophan synthase alpha chain homolog BX1: a member of the chemical plant defense system
Descriptor: MALONIC ACID, Tryptophan synthase alpha chain, chloroplast
Authors:Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I.
Deposit date:2003-11-05
Release date:2004-12-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes.
J.Mol.Biol., 352, 2005
5TIG
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BU of 5tig by Molmil
CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY BrHPD
Descriptor: (3E)-5-hydroxy-2-oxopent-3-enoic acid, 2-hydroxymuconate tautomerase
Authors:Zhang, Y, Li, W, Stack, T.
Deposit date:2016-10-02
Release date:2018-02-21
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Biochemistry, 57, 2018
2Q9G
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BU of 2q9g by Molmil
Crystal structure of human cytochrome P450 46A1
Descriptor: Cytochrome P450 46A1, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:White, M.A, Mast, N.V, Johnson, E.F, Stout, C.D, Pikuleva, I.A.
Deposit date:2007-06-12
Release date:2008-06-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5TJ5
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BU of 5tj5 by Molmil
Atomic model for the membrane-embedded motor of a eukaryotic V-ATPase
Descriptor: V-type proton ATPase subunit a, V-type proton ATPase subunit c, V-type proton ATPase subunit c', ...
Authors:Mazhab-Jafari, M.T, Rohou, A, Schmidt, C, Bueler, S.A, Benlekbir, S, Robinson, C.V, Rubinstein, J.L.
Deposit date:2016-10-03
Release date:2016-10-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Atomic model for the membrane-embedded VO motor of a eukaryotic V-ATPase.
Nature, 539, 2016
2ZMK
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BU of 2zmk by Molmil
Crystl structure of Basic Winged bean lectin in complex with Gal-alpha-1,4-Gal-Beta-Ethylene
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Basic agglutinin, ...
Authors:Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M.
Deposit date:2008-04-19
Release date:2008-07-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and sugar-specificity of basic winged-bean lectin: structures of new disaccharide complexes and a comparative study with other known disaccharide complexes of the lectin.
Acta Crystallogr.,Sect.D, 64, 2008
2ZUP
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BU of 2zup by Molmil
Updated crystal structure of DsbB-DsbA complex from E. coli
Descriptor: Disulfide bond formation protein B, Thiol:disulfide interchange protein dsbA, UBIQUINONE-1, ...
Authors:Inaba, K, Suzuki, M, Murakami, S, Nakagawa, A.
Deposit date:2008-10-28
Release date:2009-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Dynamic nature of disulphide bond formation catalysts revealed by crystal structures of DsbB
Embo J., 28, 2009
2ZNK
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BU of 2znk by Molmil
Thrombin Inhibition
Descriptor: D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
Authors:Baum, B, Heine, A, Klebe, G.
Deposit date:2008-04-26
Release date:2009-04-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.
J.Mol.Biol., 397, 2010
2Q99
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BU of 2q99 by Molmil
Crystal Structure of Saccharopine Dehydrogenase from Saccharomyces cerevisiae
Descriptor: Saccharopine dehydrogenase [NAD+, L-lysine-forming
Authors:Berghuis, A.M, Burk, D.L.
Deposit date:2007-06-12
Release date:2007-11-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Studies of the Final Enzyme in the alpha-Aminoadipate Pathway-Saccharopine Dehydrogenase from Saccharomyces cerevisiae
J.Mol.Biol., 373, 2007
3HUP
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BU of 3hup by Molmil
High-resolution structure of the extracellular domain of human CD69
Descriptor: CHLORIDE ION, Early activation antigen CD69, SODIUM ION
Authors:Kolenko, P, Dohnalek, J, Skalova, T, Hasek, J, Duskova, J, Vanek, O, Bezouska, K.
Deposit date:2009-06-15
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.371 Å)
Cite:The high-resolution structure of the extracellular domain of human CD69 using a novel polymer
Acta Crystallogr.,Sect.F, 65, 2009
3I39
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BU of 3i39 by Molmil
NI,FE-CODH-320 MV+CN state
Descriptor: CYANIDE ION, Carbon monoxide dehydrogenase 2, FE (II) ION, ...
Authors:Jeoung, J.-H, Dobbek, H.
Deposit date:2009-06-30
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural basis of cyanide inhibition of Ni, Fe-containing carbon monoxide dehydrogenase
J.Am.Chem.Soc., 131, 2009
1RCO
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BU of 1rco by Molmil
SPINACH RUBISCO IN COMPLEX WITH THE INHIBITOR D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE
Descriptor: D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE, RIBULOSE BISPHOSPHATE CARBOXYLASE/OXYGENASE
Authors:Taylor, T.C, Andersson, I.
Deposit date:1996-10-31
Release date:1997-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A common structural basis for the inhibition of ribulose 1,5-bisphosphate carboxylase by 4-carboxyarabinitol 1,5-bisphosphate and xylulose 1,5-bisphosphate.
J.Biol.Chem., 271, 1996
2Z39
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BU of 2z39 by Molmil
Crystal structure of Brassica juncea chitinase catalytic module Glu234Ala mutant (Bjchi3-E234A)
Descriptor: CHLORIDE ION, Chitinase
Authors:Ubhayasekera, W, Bergfors, T, Mowbray, S.L.
Deposit date:2007-06-02
Release date:2007-06-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a family 19 chitinase from Brassica juncea show flexibility of binding cleft loops
Febs J., 274, 2007
3I5J
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BU of 3i5j by Molmil
Diferric Resting State Toluene 4-Monooxygenase HD complex
Descriptor: FE (III) ION, Toluene-4-monooxygenase system protein A, Toluene-4-monooxygenase system protein B, ...
Authors:Bailey, L.J, Fox, B.G.
Deposit date:2009-07-05
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic and catalytic studies of the peroxide-shunt reaction in a diiron hydroxylase.
Biochemistry, 48, 2009
3I69
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BU of 3i69 by Molmil
Apo Glutathione Transferase A1-1 GIMF-helix mutant
Descriptor: GLUTATHIONE, Glutathione S-transferase A1
Authors:Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M.
Deposit date:2009-07-06
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
1RJX
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BU of 1rjx by Molmil
Human PLASMINOGEN CATALYTIC DOMAIN, K698M MUTANT
Descriptor: Plasminogen, SULFATE ION
Authors:Terzyan, S, Wakeham, N, Zhai, P, Rodgers, K, Zhang, X.C.
Deposit date:2003-11-20
Release date:2003-12-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Lys-698 to met substitution in human plasminogen catalytic domain
Proteins, 56, 2004
5TCR
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BU of 5tcr by Molmil
Atomic model of the Salmonella SPI-1 type III secretion injectisome basal body proteins InvG, PrgH, and PrgK
Descriptor: Lipoprotein PrgK, Protein InvG, Protein PrgH
Authors:Worrall, L.J, Hong, C, Vuckovic, M, Bergeron, J.R.C, Huang, R.K, Yu, Z, Strynadka, N.C.J.
Deposit date:2016-09-15
Release date:2016-12-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Near-atomic-resolution cryo-EM analysis of the Salmonella T3S injectisome basal body.
Nature, 540, 2016
2QBR
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BU of 2qbr by Molmil
Crystal structure of ptp1b-inhibitor complex
Descriptor: 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QC8
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BU of 2qc8 by Molmil
Crystal structure of human glutamine synthetase in complex with ADP and methionine sulfoximine phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamine synthetase, ...
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-06-19
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design.
J.Mol.Biol., 375, 2008
3HXB
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BU of 3hxb by Molmil
Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 6)
Descriptor: Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine, ...
Authors:Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W.
Deposit date:2009-06-20
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009

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