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5NCQ
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BU of 5ncq by Molmil
Structure of the (SR) Ca2+-ATPase bound to a Tetrahydrocarbazole and TNP-ATP
Descriptor: (1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM ION, ...
Authors:Bublitz, M, Kjellerup, L, O'Hanlon Cohrt, K, Gordon, S, Mortensen, A.L, Clausen, J.D, Pallin, D, Hansen, J.B, Brown, W.D, Fuglsang, A, Winther, A.-M.L.
Deposit date:2017-03-06
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Tetrahydrocarbazoles are a novel class of potent P-type ATPase inhibitors with antifungal activity.
PLoS ONE, 13, 2018
3BHD
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BU of 3bhd by Molmil
Crystal structure of human thiamine triphosphatase (THTPA)
Descriptor: CHLORIDE ION, CITRIC ACID, GLYCEROL, ...
Authors:Busam, R.D, Lehtio, L, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2007-11-28
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Human Thiamine Triphosphatase.
To be Published
3B72
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BU of 3b72 by Molmil
Crystal structure of lysozyme folded in SDS and 2-methyl-2,4-pentanediol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Michaux, C, Pouyez, J, Wouters, J, Prive, G.G.
Deposit date:2007-10-30
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protecting role of cosolvents in protein denaturation by SDS: a structural study.
Bmc Struct.Biol., 8, 2008
5NJS
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BU of 5njs by Molmil
Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 1HEW
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
Deposit date:2017-03-29
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
3B2S
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BU of 3b2s by Molmil
Crystal Structure of F. graminearum TRI101 complexed with Coenzyme A and Deoxynivalenol
Descriptor: (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, COENZYME A, ...
Authors:Garvey, G.S, Rayment, I.
Deposit date:2007-10-19
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural and Functional Characterization of the TRI101 Trichothecene 3-O-Acetyltransferase from Fusarium sporotrichioides and Fusarium graminearum: KINETIC INSIGHTS TO COMBATING FUSARIUM HEAD BLIGHT
J.Biol.Chem., 283, 2008
5NGL
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BU of 5ngl by Molmil
The endo-beta1,6-glucanase BT3312
Descriptor: 1-DEOXYNOJIRIMYCIN, Glucosylceramidase, SODIUM ION, ...
Authors:Basle, A, Temple, M, Cuskin, F, Lowe, E, Gilbert, H.
Deposit date:2017-03-17
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Bacteroidetes locus dedicated to fungal 1,6-beta-glucan degradation: Unique substrate conformation drives specificity of the key endo-1,6-beta-glucanase.
J. Biol. Chem., 292, 2017
5GLM
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BU of 5glm by Molmil
Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compost microbial metagenome in complex with xylotriose, calcium-free form.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Glycoside hydrolase family 43, ...
Authors:Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K.
Deposit date:2016-07-12
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium.
J. Biochem., 162, 2017
5NLS
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BU of 5nls by Molmil
Auxiliary activity 9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Lo Leggio, L.
Deposit date:2017-04-04
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
3AR7
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BU of 3ar7 by Molmil
Calcium pump crystal structure with bound TNP-ATP and TG in the absence of Ca2+
Descriptor: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ...
Authors:Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S.
Deposit date:2010-11-24
Release date:2011-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
3AR5
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BU of 3ar5 by Molmil
Calcium pump crystal structure with bound TNP-AMP and TG
Descriptor: 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
Authors:Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S.
Deposit date:2010-11-24
Release date:2011-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
6UFC
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BU of 6ufc by Molmil
Carbonic anhydrase 2 with inhibitor (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide (11d/D4)
Descriptor: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-09-24
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.325 Å)
Cite:Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action.
J.Med.Chem., 63, 2020
4RK4
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BU of 4rk4 by Molmil
Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound glucose
Descriptor: SODIUM ION, Transcriptional regulator, LacI family, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-10-11
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal Structure of LacI Transcriptional Regulator Lsei_2103 from Lactobacillus casei, Target EFI-512911
To be Published
5MB4
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BU of 5mb4 by Molmil
Crystal Structure of the Psathyrella asperospora lectin PAL in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GlcNAc specific lectin, ...
Authors:Ribeiro, J, Varrot, A.
Deposit date:2016-11-07
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biophysical characterization and structural determination of the potent cytotoxic Psathyrella asperospora lectin.
Proteins, 85, 2017
3ATN
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BU of 3atn by Molmil
Glycine ethyl ester shielding on the aromatic surfaces of lysozyme: Implication for suppression of protein aggregation
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Ito, L, Shiraki, K, Hasegawa, K, Kumasaka, T.
Deposit date:2011-01-06
Release date:2012-03-07
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Glycine ethyl ester shielding on the aromatic surfaces of lysozyme: Implication for suppression of protein aggregation
To be Published
3AR2
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BU of 3ar2 by Molmil
Calcium pump crystal structure with bound AMPPCP and Ca2+
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S.
Deposit date:2010-11-24
Release date:2011-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
5MU9
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BU of 5mu9 by Molmil
MOA-E-64 complex
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Agglutinin, ...
Authors:Cordara, G, Manna, D, Krengel, U.
Deposit date:2017-01-12
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Family of Papain-Like Fungal Chimerolectins with Distinct Ca(2+)-Dependent Activation Mechanism.
Biochemistry, 56, 2017
5MHX
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BU of 5mhx by Molmil
The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The sixth structure of the series with total exposition time 153 min.
Descriptor: CITRIC ACID, COPPER (II) ION, Laccase 2, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2016-11-26
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
5MJ3
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BU of 5mj3 by Molmil
INTERLEUKIN-23 COMPLEX WITH AN ANTAGONISTIC ALPHABODY, CRYSTAL FORM 1
Descriptor: ALPHABODY MA12, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
Authors:Desmet, J, Verstraete, K, Bloch, Y, Lorent, E, Wen, Y, Devreese, B, Vandenbroucke, K, Loverix, S, Hettmann, T, Deroo, S, Somers, K, Hendrikx, P, Lasters, I, Savvides, S.N.
Deposit date:2016-11-29
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural Basis Of Il-23 Antagonism By An Alphabody Protein Scaffold.
Nat Commun, 5, 2014
3C0S
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BU of 3c0s by Molmil
UVDE 3 metals
Descriptor: MANGANESE (II) ION, SODIUM ION, UV endonuclease
Authors:Meulenbroek, E.M, Paspaleva, K, Thomassen, E.A.J, Abrahams, J.P, Goosen, N, Pannu, N.S.
Deposit date:2008-01-21
Release date:2008-12-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Involvement of a carboxylated lysine in UV damage endonuclease
Protein Sci., 18, 2009
3C1Q
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BU of 3c1q by Molmil
The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, CHLORIDE ION, ...
Authors:Abendroth, J, Mitchell, D.D, Korotkov, K.V, Kreeger, A, Hol, W.G.J.
Deposit date:2008-01-24
Release date:2009-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The three-dimensional structure of the cytoplasmic domains of EpsF from the type 2 secretion system of Vibrio cholerae
J.Struct.Biol., 166, 2009
5MHY
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BU of 5mhy by Molmil
The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The seventh structure of the series with total exposition time 183 min.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2016-11-27
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
3BMO
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BU of 3bmo by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4)
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ...
Authors:Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B.
Deposit date:2007-12-13
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
6TKH
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BU of 6tkh by Molmil
Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 7keV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SODIUM ION, ...
Authors:Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B.
Deposit date:2019-11-28
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
5EIV
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BU of 5eiv by Molmil
Crystal structure of complex of osteoclast-associated immunoglobulin-like receptor (OSCAR) and a synthetic collagen consensus peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
Authors:Zhou, L, Blaszczyk, M, Chirgadze, D, Bihan, D, Farndale, R.W.
Deposit date:2015-10-30
Release date:2015-11-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.414 Å)
Cite:Structural basis for collagen recognition by the immune receptor OSCAR.
Blood, 127, 2016
3C3V
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BU of 3c3v by Molmil
Crystal structure of peanut major allergen ara h 3
Descriptor: Arachin Arah3 isoform, SODIUM ION
Authors:Jin, T, Zhang, Y.
Deposit date:2008-01-28
Release date:2009-02-24
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of Ara h 3, a major allergen in peanut.
Mol.Immunol., 46, 2009

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