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5K33
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BU of 5k33 by Molmil
Crystal structure of extracellular domain of HER2 in complex with Fcab STAB19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ig gamma-1 chain C region, ...
Authors:Humm, A, Lobner, E, Goritzer, K, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-19
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies.
Structure, 25, 2017
5KWG
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BU of 5kwg by Molmil
Crystal structure of extracellular domain of HER2 in complex with Fcab H10-03-6
Descriptor: Ig gamma-1 chain C region, Receptor tyrosine-protein kinase erbB-2
Authors:Humm, A, Lobner, E, Goritzer, K, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-07-18
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies.
Structure, 25, 2017
5JIH
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BU of 5jih by Molmil
Crystal structure of HER2 binding IgG1-Fc (Fcab STAB19)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Humm, A, Lobner, E, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-04-22
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.663 Å)
Cite:Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies.
Structure, 25, 2017
5K65
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BU of 5k65 by Molmil
Crystal structure of VEGF binding IgG1-Fc (Fcab CT6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, 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:Humm, A, Lobner, E, Kitzmuller, M, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-24
Release date:2017-09-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
5K64
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BU of 5k64 by Molmil
Crystal structure of VEGF binding IgG1-Fc (Fcab 448)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Humm, A, Lobner, E, Kitzmuller, M, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-24
Release date:2017-09-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
6QBA
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BU of 6qba by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold
Descriptor: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Mlynek, G, Brey, C.U, Djinovic-Carugo, K, Puehringer, D.
Deposit date:2018-12-20
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A conformation-specific ON-switch for controlling CAR T cells with an orally available drug.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RHV
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BU of 6rhv by Molmil
Crystal structure of mouse CD11b I-domain (CD11b-I) in complex with Staphylococcus aureus octameric bi-component leukocidin LukGH (LukH K319A mutant)
Descriptor: Beta-channel forming cytolysin, DIMETHYL SULFOXIDE, Integrin alpha-M, ...
Authors:Trstenjak, N, Milic, D, Djinovic-Carugo, K, Badarau, A.
Deposit date:2019-04-23
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Molecular mechanism of leukocidin GH-integrin CD11b/CD18 recognition and species specificity.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RWV
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BU of 6rwv by Molmil
Structure of apo-LmCpfC
Descriptor: Ferrochelatase, GLYCEROL, PHOSPHATE ION, ...
Authors:Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G.
Deposit date:2019-06-06
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6386379 Å)
Cite:Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase.
Febs J., 287, 2020
6RHW
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BU of 6rhw by Molmil
Crystal structure of human CD11b I-domain (CD11b-I) in complex with Staphylococcus aureus octameric bi-component leukocidin LukGH
Descriptor: Beta-channel forming cytolysin, DIMETHYL SULFOXIDE, Integrin alpha-M, ...
Authors:Trstenjak, N, Milic, D, Djinovic-Carugo, K, Badarau, A.
Deposit date:2019-04-23
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular mechanism of leukocidin GH-integrin CD11b/CD18 recognition and species specificity.
Proc.Natl.Acad.Sci.USA, 117, 2020
5JWG
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BU of 5jwg by Molmil
Crystal structure of Porphyromonas endodontalis DPP11 in complex with dipeptide Arg-Asp
Descriptor: 1,2-ETHANEDIOL, ARGININE, ASPARTIC ACID, ...
Authors:Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K.
Deposit date:2016-05-12
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5JXF
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BU of 5jxf by Molmil
Crystal structure of Flavobacterium psychrophilum DPP11 in complex with dipeptide Arg-Asp
Descriptor: ARGININE, ASPARTIC ACID, Asp/Glu-specific dipeptidyl-peptidase, ...
Authors:Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5JXK
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BU of 5jxk by Molmil
Crystal structure of Porphyromonas endodontalis DPP11
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
Authors:Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5K8Z
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BU of 5k8z by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 8.5)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Chlorite dismutase, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-31
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5JY0
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BU of 5jy0 by Molmil
Crystal structure of Porphyromonas endodontalis DPP11 in complex with substrate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Asp/Glu-specific dipeptidyl-peptidase, LEU-ASP-VAL
Authors:Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5JWF
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BU of 5jwf by Molmil
Crystal structure of Porphyromonas gingivalis DPP11
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, GLYCEROL, S-1,2-PROPANEDIOL
Authors:Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K.
Deposit date:2016-05-12
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5JXP
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BU of 5jxp by Molmil
Crystal structure of Porphyromonas endodontalis DPP11 in alternate conformation
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CALCIUM ION, CHLORIDE ION
Authors:Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5K91
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BU of 5k91 by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with fluoride
Descriptor: Chlorite dismutase, FLUORIDE ION, GLYCEROL, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-31
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5K90
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BU of 5k90 by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with isothiocyanate
Descriptor: Chlorite dismutase, GLYCEROL, MAGNESIUM ION, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-05-31
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5JWI
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BU of 5jwi by Molmil
Crystal structure of Porphyromonas endodontalis DPP11 in complex with dipeptide Arg-Glu
Descriptor: ARGININE, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, ...
Authors:Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K.
Deposit date:2016-05-12
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5LOQ
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BU of 5loq by Molmil
Structure of coproheme bound HemQ from Listeria monocytogenes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Putative heme-dependent peroxidase lmo2113, ...
Authors:Puehringer, D, Mlynek, G, Hofbauer, S, Djinovic-Carugo, K, Obinger, C.
Deposit date:2016-08-09
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Hydrogen peroxide-mediated conversion of coproheme to heme b by HemQ-lessons from the first crystal structure and kinetic studies.
FEBS J., 283, 2016
5MAU
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BU of 5mau by Molmil
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 6.5)
Descriptor: Chlorite dismutase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-11-04
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
ACS Catal, 7, 2017
5MFA
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BU of 5mfa by Molmil
Crystal structure of human promyeloperoxidase (proMPO)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Grishkovskaya, I, Furtmueller, P.G, Obinger, C, Djinovic-Carugo, K.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of human promyeloperoxidase (proMPO) and the role of the propeptide in processing and maturation.
J. Biol. Chem., 292, 2017
8C0H
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BU of 8c0h by Molmil
Crystal structure of guanidinase from Nitrospira inopinata
Descriptor: NICKEL (II) ION, Putative agmatinase 2, SULFATE ION
Authors:Puehringer, D.
Deposit date:2022-12-16
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Growth of complete ammonia oxidizers on guanidine
To Be Published
4WV8
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BU of 4wv8 by Molmil
Crystal structure of a recombinant Vatairea macrocarpa seed lectin complexed with lactose
Descriptor: CALCIUM ION, MANGANESE (II) ION, Seed lectin, ...
Authors:Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Cunha, R.M.S, Nagano, C.S, Gruber, K, Cavada, B.S.
Deposit date:2014-11-04
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural characterization of a Vatairea macrocarpa lectin in complex with a tumor-associated antigen: A new tool for cancer research.
Int.J.Biochem.Cell Biol., 72, 2016
6GJH
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BU of 6gjh by Molmil
Human Hsp27 (HspB1) alpha-crystallin domain in complex with a peptide mimic of its phosphorylatable N-terminal region
Descriptor: ALA-LEU-SER-ARG, ALA-LEU-SER-ARG-GLN, GLYCEROL, ...
Authors:Collier, M.P, Benesch, J.L.P.
Deposit date:2018-05-16
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:HspB1 phosphorylation regulates its intramolecular dynamics and mechanosensitive molecular chaperone interaction with filamin C.
Sci Adv, 5, 2019

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