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6TJZ
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BU of 6tjz by Molmil
Crystal structure of the SVS_A2 protein (W156Y mutant) from ancestral sequence reconstruction at 2.4 A resolution
Descriptor: SVS_variant_AS3
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-27
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6TIV
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BU of 6tiv by Molmil
Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ...
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6THU
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BU of 6thu by Molmil
Crystal structure of the SVS_A2 protein (A224I mutant) from ancestral sequence reconstruction at 2.6 A resolution
Descriptor: SVS_AS10 variant
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-21
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6L05
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BU of 6l05 by Molmil
Crystal structure of uPA_H99Y in complex with 50F
Descriptor: 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator
Authors:Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M.
Deposit date:2019-09-26
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Crystal structure of uPA_H99Y in complex with 50F
To Be Published
6L04
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BU of 6l04 by Molmil
Crystal structure of uPA_H99Y in complex with 31F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator
Authors:Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M.
Deposit date:2019-09-26
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of uPA_H99Y in complex with 31F
To Be Published
6TJA
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BU of 6tja by Molmil
Crystal structure of the SVS_A2 protein (W79F,G83L mutant) from ancestral sequence reconstruction at 2.27 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, SVS_variant_AS1
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-25
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
4UWT
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BU of 4uwt by Molmil
Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, COBALT (II) ION, ...
Authors:Nutt, A, Momeni, M.H, Johansson, G, Stahlberg, J.
Deposit date:2014-08-14
Release date:2015-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 2022
4UR6
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BU of 4ur6 by Molmil
Structure of the type III fish antifreeze protein from Zoarces viviparus ZvAFP6
Descriptor: SULFATE ION, TYPE III ANTIFREEZE PROTEIN 6
Authors:Wilkens, C, Poulsen, J.-C.N, Ramloev, H, Lo Leggio, L.
Deposit date:2014-06-26
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Purification, Crystal Structure Determination and Functional Characterization of Type III Antifreeze Proteins from the European Eelpout Zoarces Viviparus.
Cryobiology, 69, 2014
2UVL
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BU of 2uvl by Molmil
Human BIR3 domain of Baculoviral Inhibitor of Apoptosis Repeat- Containing 3 (BIRC3)
Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 3, GLYCEROL, ZINC ION
Authors:Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Upsten, M, Van Den Berg, S, Weigelt, J, Nordlund, P.
Deposit date:2007-03-12
Release date:2007-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
2UXZ
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BU of 2uxz by Molmil
Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic
Descriptor: HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
Authors:Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K.
Deposit date:2007-04-02
Release date:2008-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic.
J.Med.Chem., 51, 2008
2UY0
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BU of 2uy0 by Molmil
Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic
Descriptor: HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
Authors:Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K.
Deposit date:2007-04-02
Release date:2008-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic.
J.Med.Chem., 51, 2008
2VG7
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BU of 2vg7 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
Descriptor: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
Authors:Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
Deposit date:2007-11-08
Release date:2007-12-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
4WML
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BU of 4wml by Molmil
Crystal structure of Saccharomyces cerevisiae OMP synthase in complex with PRP(CH2)P
Descriptor: 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, Orotate phosphoribosyltransferase 1
Authors:Bang, M.B, Molich, U, Hansen, M.R, Grubmeyer, C, Harris, P.
Deposit date:2014-10-09
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of Saccharomyces cerevisia OMP synthase in complex with PRP(CH2)P
To Be Published
2VN7
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BU of 2vn7 by Molmil
Glycoside Hydrolase Family 15 Glucoamylase from Hypocrea jecorina
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Bott, R, Sandgren, M, Hansson, H.
Deposit date:2008-01-31
Release date:2008-05-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Three-Dimensional Structure of an Intact Glycoside Hydrolase Family 15 Glucoamylase from Hypocrea Jecorina.
Biochemistry, 47, 2008
3D48
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BU of 3d48 by Molmil
Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin receptor
Descriptor: CARBONATE ION, Prolactin, Prolactin receptor
Authors:Svensson, L.A, Breinholt, J.
Deposit date:2008-05-14
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin receptor
J.Biol.Chem., 283, 2008
4KA7
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BU of 4ka7 by Molmil
Structure of Organellar OligoPeptidase (E572Q) in complex with an endogenous substrate
Descriptor: CHLORIDE ION, GLYCEROL, Oligopeptidase A, ...
Authors:Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P.
Deposit date:2013-04-22
Release date:2013-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
6Q3R
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BU of 6q3r by Molmil
ASPERGILLUS ACULEATUS GALACTANASE
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, ...
Authors:Muderspach, S.J, Torpenholt, S, Lo Leggio, L, Poulsen, J.C.N.
Deposit date:2018-12-04
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structure of Aspergillus aculeatus beta-1,4-galactanase in complex with galactobiose.
Acta Crystallogr.,Sect.F, 75, 2019
1S46
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BU of 1s46 by Molmil
Covalent intermediate of the E328Q amylosucrase mutant
Descriptor: amylosucrase, beta-D-glucopyranose
Authors:Jensen, M.H, Mirza, O, Albenne, C, Remaud-Simeon, M, Monsan, P, Gajhede, M, Skov, L.K.
Deposit date:2004-01-15
Release date:2004-03-23
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the covalent intermediate of amylosucrase from Neisseria polysaccharea.
Biochemistry, 43, 2004
1S7X
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BU of 1s7x by Molmil
Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 index peptide and three of its escape variants
Descriptor: Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ...
Authors:Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A.
Deposit date:2004-01-30
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
1SI8
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BU of 1si8 by Molmil
Crystal structure of E. faecalis catalase
Descriptor: CHLORIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hakansson, K.O, Brugna, M, Tasse, L.
Deposit date:2004-02-28
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The three-dimensional structure of catalase from Enterococcus faecalis.
Acta Crystallogr.,Sect.D, 60, 2004
1RXG
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BU of 1rxg by Molmil
DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE
Descriptor: 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION, ...
Authors:Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Shofield, C.J, Hajdu, J, Andersson, I.
Deposit date:1998-06-05
Release date:1999-06-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a cephalosporin synthase.
Nature, 394, 1998
4UOZ
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BU of 4uoz by Molmil
beta-(1,6)-galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 nucleophile mutant E324A in complex with galactose
Descriptor: BETA-GALACTOSIDASE, TRIETHYLENE GLYCOL, ZINC ION, ...
Authors:Viborg, A.H, Fredslund, F, Katayama, T, Nielsen, S.K, Svensson, B, Kitaoka, M, Lo Leggio, L, Abou Hachem, M.
Deposit date:2014-06-11
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A beta 1-6/ beta 1-3 galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 gives insight into sub-specificities of beta-galactoside catabolism within Bifidobacterium.
Mol. Microbiol., 2014
4UOE
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BU of 4uoe by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L.
Deposit date:2014-06-03
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
4UR4
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BU of 4ur4 by Molmil
Structure of the type III fish antifreeze protein from Zoarces viviparus ZvAFP13
Descriptor: ANTIFREEZE PROTEIN 13
Authors:Wilkens, C, Poulsen, J.-C.N, Ramloev, H, Lo Leggio, L.
Deposit date:2014-06-26
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Purification, Crystal Structure Determination and Functional Characterization of Type III Antifreeze Proteins from the European Eelpout Zoarces Viviparus.
Cryobiology, 69, 2014
6XWE
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BU of 6xwe by Molmil
Crystal structure of LYK3 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETONITRILE, LysM domain receptor-like kinase 3, ...
Authors:Gysel, K, Blaise, M, Andersen, K.R.
Deposit date:2020-01-23
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Ligand-recognizing motifs in plant LysM receptors are major determinants of specificity.
Science, 369, 2020

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