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5FG7
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BU of 5fg7 by Molmil
Yeast 20S proteasome beta2-T1A mutant
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-12-20
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
3BT6
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BU of 3bt6 by Molmil
Crystal Structure of Influenza B Virus Hemagglutinin
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Q, Cheng, F, Lu, M, Tian, X, Ma, J.
Deposit date:2007-12-27
Release date:2008-05-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of unliganded influenza B virus hemagglutinin.
J.Virol., 82, 2008
5FG9
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BU of 5fg9 by Molmil
Yeast 20S proteasome beta2-T(-2)V mutant
Descriptor: MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-12-20
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
2XFF
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BU of 2xff by Molmil
Crystal structure of Barley Beta-Amylase complexed with acarbose
Descriptor: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, BETA-AMYLASE
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-05-28
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.309 Å)
Cite:Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
5FHS
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BU of 5fhs by Molmil
Yeast 20S proteasome beta5-K33A mutant (propeptide expressed in trans) in complex with Carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-12-22
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Nat Commun, 7, 2016
3EBS
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BU of 3ebs by Molmil
Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Phenacetin
Descriptor: Cytochrome P450 2A6, N-(4-ethoxyphenyl)acetamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2008-08-28
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Key residues controlling phenacetin metabolism by human cytochrome P4502A enzymes.
Drug Metab.Dispos., 36, 2008
1Q25
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BU of 1q25 by Molmil
Crystal structure of N-terminal 3 domains of CI-MPR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Olson, L.J, Dahms, N.M, Kim, J.-J.P.
Deposit date:2003-07-23
Release date:2004-06-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of uPAR, plasminogen, and sugar-binding sites of the 300 kDa mannose 6-phosphate receptor
Embo J., 23, 2004
1Q2S
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BU of 1q2s by Molmil
Chemical trapping and crystal structure of a catalytic tRNA guanine transglycosylase covalent intermediate
Descriptor: 5'-R(*AP*GP*CP*AP*CP*GP*GP*CP*UP*(PQ1)P*UP*AP*AP*AP*CP*CP*GP*UP*GP*C)-3', 9-DEAZAGUANINE, Queuine tRNA-ribosyltransferase, ...
Authors:Xie, W, Liu, X, Huang, R.H.
Deposit date:2003-07-25
Release date:2003-09-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Chemical trapping and crystal structure of a catalytic tRNA guanine transglycosylase covalent intermediate
Nat.Struct.Biol., 10, 2003
1Q44
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BU of 1q44 by Molmil
Crystal Structure of an Arabidopsis Thaliana Putative Steroid Sulfotransferase
Descriptor: MALONIC ACID, Steroid Sulfotransferase
Authors:Phillips Jr, G.N, Smith, D.W, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2003-08-01
Release date:2003-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of At2g03760, a putative steroid sulfotransferase from Arabidopsis thaliana
Proteins, 57, 2004
2XGI
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BU of 2xgi by Molmil
Crystal structure of Barley Beta-Amylase complexed with 3,4- epoxybutyl alpha-D-glucopyranoside
Descriptor: (3R)-3-hydroxybutyl alpha-D-glucopyranoside, (3S)-3-hydroxybutyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, ...
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-06-04
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Chemical genetics and cereal starch metabolism: structural basis of the non-covalent and covalent inhibition of barley beta-amylase.
Mol Biosyst, 7, 2011
3EIN
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BU of 3ein by Molmil
Delta class GST
Descriptor: GLUTATHIONE, Glutathione S-transferase 1-1
Authors:Feil, S.C.
Deposit date:2008-09-17
Release date:2009-09-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.126 Å)
Cite:Probing insect detoxification systems
To be Published
3E8P
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BU of 3e8p by Molmil
Crystal structure of the protein Q8E9M7 from Shewanella oneidensis related to thioesterase superfamily. Northeast Structural Genomics Consortium target SoR246.
Descriptor: uncharacterized protein
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Janjua, H, Ciccosanti, C, Foote, E.L, Wang, H, Xiao, R, Nair, R, Everett, J, Acton, T.B, Rost, B, Tong, S.N, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-08-20
Release date:2008-09-02
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the protein Q8E9M7 from Shewanella oneidensis related to thioesterase superfamily. Northeast Structural Genomics Consortium target SoR246.
To be Published
3C6L
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BU of 3c6l by Molmil
Crystal structure of mouse MHC class II I-Ab/3K peptide complexed with mouse TCR 2W20
Descriptor: 3K peptide, Linker,and H-2 class II histocompatibility antigen (A beta chain), CALCIUM ION, ...
Authors:Dai, S.
Deposit date:2008-02-04
Release date:2008-04-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crossreactive T Cells spotlight the germline rules for alphabeta T cell-receptor interactions with MHC molecules.
Immunity, 28, 2008
4O1K
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BU of 4o1k by Molmil
Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
Descriptor: Carbonic anhydrase, ZINC ION
Authors:Lehneck, R, Neumann, P, Vullo, D, Elleuche, S, Supuran, C.T, Ficner, R, Poggeler, S.
Deposit date:2013-12-16
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
Febs J., 281, 2014
3E9Y
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BU of 3e9y by Molmil
Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron
Descriptor: 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ...
Authors:Guddat, L.W, Duggleby, R.G, Wang, J.-G, Li, Z.-M.
Deposit date:2008-08-24
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of two novel sulfonylurea herbicides in complex with Arabidopsis thaliana acetohydroxyacid synthase.
Febs J., 276, 2009
4NE6
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BU of 4ne6 by Molmil
Human MHF1-MHF2 complex
Descriptor: Centromere protein S, Centromere protein X
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2013-12-25
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.1001 Å)
Cite:The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
3EKB
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BU of 3ekb by Molmil
Crystal structure of the A264C mutant heme domain of cytochrome P450 BM3
Descriptor: Cytochrome P450(BM-3), PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2008-09-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel haem co-ordination variants of flavocytochrome P450BM3.
Biochem.J., 417, 2009
2XG9
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BU of 2xg9 by Molmil
Crystal structure of Barley Beta-Amylase complexed with 4-O-alpha-D- glucopyranosylmoranoline
Descriptor: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, BETA-AMYLASE, ...
Authors:Rejzek, M, Stevenson, C.E.M, Southard, A.M, Stanley, D, Denyer, K, Smith, A.M, Naldrett, M.J, Lawson, D.M, Field, R.A.
Deposit date:2010-06-02
Release date:2010-12-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Chemical Genetics and Cereal Starch Metabolism: Structural Basis of the Non-Covalent and Covalent Inhibition of Barley Beta-Amylase.
Mol.Biosyst., 7, 2011
5HIQ
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BU of 5hiq by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(1H-pyrrol-1-yl)benzoic acid
Descriptor: 2-pyrrol-1-ylbenzoic acid, FE (III) ION, PqsE
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2016-01-12
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
2XCL
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BU of 2xcl by Molmil
Nucleotide-bound Structures of Bacillus subtilis Glycinamide Ribonucleotide Synthetase
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHORIBOSYLAMINE--GLYCINE LIGASE
Authors:Bertrand, J.A, Chen, S, Zalkin, H, Smith, J.L.
Deposit date:2010-04-23
Release date:2011-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nucleotide-Bound Structures of Bacillus Subtilis Glycinamide Ribonucleotide Synthetase
To be Published
4NO8
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BU of 4no8 by Molmil
yCP in complex with Z-Leu-Leu-Leu-ketoamide
Descriptor: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ...
Authors:Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M.
Deposit date:2013-11-19
Release date:2014-02-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
5HAV
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BU of 5hav by Molmil
Sperm whale myoglobin mutant L29H F33Y F43H (F33Y CuBMb) with oxygen bound
Descriptor: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Petrik, I.D, Lu, Y.
Deposit date:2015-12-31
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:Spectroscopic and Crystallographic Evidence for the Role of a Water-Containing H-Bond Network in Oxidase Activity of an Engineered Myoglobin.
J.Am.Chem.Soc., 138, 2016
3FEQ
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BU of 3feq by Molmil
Crystal structure of uncharacterized protein eah89906
Descriptor: PUTATIVE AMIDOHYDROLASE, ZINC ION
Authors:Patskovsky, Y, Bonanno, J, Romero, R, Freeman, J, Lau, C, Smith, D, Bain, K, Wasserman, S.R, Raushel, F, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-11-30
Release date:2008-12-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Functional identification and structure determination of two novel prolidases from cog1228 in the amidohydrolase superfamily .
Biochemistry, 49, 2010
3C5Z
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BU of 3c5z by Molmil
Crystal structure of mouse MHC class II I-Ab/3K peptide complexed with mouse TCR B3K506
Descriptor: 3K peptide, Linker, and H-2 class II histocompatibility antigen (A beta chain), ...
Authors:Dai, S, Kappler, J.
Deposit date:2008-02-01
Release date:2008-04-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crossreactive T Cells spotlight the germline rules for alphabeta T cell-receptor interactions with MHC molecules.
Immunity, 28, 2008
3BV9
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BU of 3bv9 by Molmil
Structure of Thrombin Bound to the Inhibitor FM19
Descriptor: FM19 inhibitor, GLYCEROL, IODIDE ION, ...
Authors:Nieman, M.T, Burke, F, Warnock, M, Zhou, Y, Sweigert, J, Chen, A, Ricketts, D, Lucchesi, B.R, Chen, Z, Di Cera, E, Hilfinger, J, Mosberg, H.I, Schmaier, A.H.
Deposit date:2008-01-05
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thrombostatin FM compounds: direct thrombin inhibitors - mechanism of action in vitro and in vivo.
J.Thromb.Haemost., 6, 2008

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