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2FZ9
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BU of 2fz9 by Molmil
Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking.
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
Authors:Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G.
Deposit date:2006-02-09
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
6SD0
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BU of 6sd0 by Molmil
Structure of beta-galactosidase from Thermotoga maritima.
Descriptor: Beta-galactosidase, MAGNESIUM ION
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-07-26
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The cryo-EM Structure ofThermotoga maritimabeta-Galactosidase: Quaternary Structure Guides Protein Engineering.
Acs Chem.Biol., 15, 2020
7AM0
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BU of 7am0 by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
6SHY
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BU of 6shy by Molmil
Structure of L320A/H321S double mutant of Rex8A from Paenibacillus barcinonensis
Descriptor: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-08-08
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6SEB
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BU of 6seb by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB in complex with IPTG
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, ACETATE ION, Beta-galactosidase, ...
Authors:Rutkiewicz, M, Bujacz, A, Kaminska, P, Bujacz, G.
Deposit date:2019-07-29
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.272 Å)
Cite:Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 20, 2019
5C7I
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BU of 5c7i by Molmil
Mouse sperm Glyceraldehyde-3-phosphate dehydrogenase: apo enzyme
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, testis-specific
Authors:Danshina, P, Betts, L, O'Brien, D.
Deposit date:2015-06-24
Release date:2016-03-09
Last modified:2016-06-15
Method:X-RAY DIFFRACTION (2.0098 Å)
Cite:Structural analyses to identify selective inhibitors of glyceraldehyde 3-phosphate dehydrogenase-S, a sperm-specific glycolytic enzyme.
Mol. Hum. Reprod., 22, 2016
6GZ3
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BU of 6gz3 by Molmil
tRNA translocation by the eukaryotic 80S ribosome and the impact of GTP hydrolysis, Translocation-intermediate-POST-1 (TI-POST-1)
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ...
Authors:Flis, J, Holm, M, Rundlet, E.J, Loerke, J, Hilal, T, Dabrowski, M, Buerger, J, Mielke, T, Blanchard, S.C, Spahn, C.M.T, Budkevich, T.V.
Deposit date:2018-07-03
Release date:2018-12-05
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:tRNA Translocation by the Eukaryotic 80S Ribosome and the Impact of GTP Hydrolysis.
Cell Rep, 25, 2018
7AP7
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BU of 7ap7 by Molmil
Structure of the W64R amyloidogenic variant of human lysozyme
Descriptor: Lysozyme C, SULFATE ION
Authors:Vettore, N, Herman, R, Kerff, F, Charlier, P, Sauvage, E, Brans, A, Morray, J, Dobson, C, Kumita, J, Dumoulin, M.
Deposit date:2020-10-16
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Characterisation of the structural, dynamic and aggregation properties of the W64R amyloidogenic variant of human lysozyme.
Biophys.Chem., 271, 2021
7ASZ
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BU of 7asz by Molmil
L-2-haloacid dehalogenase H190A mutant from Zobellia galactanivorans
Descriptor: (S)-2-haloacid dehalogenase, PHOSPHATE ION, THIOCYANATE ION
Authors:Grigorian, E, Roret, T, Czjzek, M, Leblanc, C, Delage, L.
Deposit date:2020-10-28
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:X-ray structure and mechanism of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans.
Protein Sci., 2022
2BXP
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BU of 2bxp by Molmil
Human serum albumin complexed with myristate and phenylbutazone
Descriptor: 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, MYRISTIC ACID, SERUM ALBUMIN
Authors:Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
Deposit date:2005-07-26
Release date:2005-09-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
2VM5
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BU of 2vm5 by Molmil
HUMAN BIR2 DOMAIN OF BACULOVIRAL INHIBITOR OF APOPTOSIS REPEAT- CONTAINING 1 (BIRC1)
Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 1, GLYCEROL, ZINC ION
Authors:Herman, M.D, Welin, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2008-01-23
Release date:2008-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
7ARP
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BU of 7arp by Molmil
Native L-2-haloacid dehalogenase from Zobellia galactanivorans
Descriptor: (S)-2-haloacid dehalogenase, PHOSPHATE ION, THIOCYANATE ION
Authors:Grigorian, E, Roret, T, Czjzek, M, Leblanc, C, Delage, L.
Deposit date:2020-10-26
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:X-ray structure and mechanism of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans.
Protein Sci., 2022
2V2W
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BU of 2v2w by Molmil
T CELL CROSS-REACTIVITY AND CONFORMATIONAL CHANGES DURING TCR ENGAGEMENT
Descriptor: BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Lee, J.K, Stewart-Jones, G, Dong, T, Harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, Van Der Merwe, P.A, Jones, E.Y, Mcmichael, A.J.
Deposit date:2007-06-07
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement.
J.Exp.Med., 200, 2004
7AWT
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BU of 7awt by Molmil
E. coli NADH quinone oxidoreductase hydrophilic arm
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Schimpf, J, Grishkovskaya, I, Haselbach, D, Friedrich, T.
Deposit date:2020-11-09
Release date:2021-09-15
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structure of the peripheral arm of a minimalistic respiratory complex I.
Structure, 30, 2022
2J6Y
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BU of 2j6y by Molmil
Structural and Functional Characterisation of partner switching regulating the environmental stress response in Bacillus subtilis
Descriptor: PHOSPHOSERINE PHOSPHATASE RSBU
Authors:Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J.
Deposit date:2006-10-05
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis.
J. Biol. Chem., 282, 2007
2J5V
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BU of 2j5v by Molmil
GLUTAMATE 5-KINASE FROM ESCHERICHIA COLI COMPLEXED WITH GLUTAMYL-5-PHOSPHATE AND PYROGLUTAMIC ACID
Descriptor: GAMMA-GLUTAMYL PHOSPHATE, GLUTAMATE 5-KINASE, MAGNESIUM ION, ...
Authors:Marco-Marin, C, Gil-Ortiz, F, Perez-Arellano, I, Cervera, J, Fita, I, Rubio, V.
Deposit date:2006-09-19
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Novel Two-Domain Architecture within the Amino Acid Kinase Enzyme Family Revealed by the Crystal Structure of Escherichia Coli Glutamate 5-Kinase.
J.Mol.Biol., 367, 2007
7AQS
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BU of 7aqs by Molmil
Crystal structure of E. coli DPS in space group P1
Descriptor: DNA protection during starvation protein, FE (III) ION
Authors:Jakob, R.P, Pipercevic, J, Righetto, R, Goldie, K, Stahlberg, H, Maier, T, Hiller, S.
Deposit date:2020-10-22
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a Dps contamination in Mitomycin-C-induced expression of Colicin Ia.
Biochim Biophys Acta Biomembr, 1863, 2021
7AWI
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BU of 7awi by Molmil
Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate
Descriptor: 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Goral, I, Wieckowska, A.
Deposit date:2020-11-08
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
2J12
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BU of 2j12 by Molmil
Ad37 fibre head in complex with CAR D1
Descriptor: CALCIUM ION, COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBER PROTEIN
Authors:Seiradake, E, Lortat-Jacob, H, Billet, O, Kremer, E.J, Cusack, S.
Deposit date:2006-08-08
Release date:2006-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Mutational Analysis of Human Ad37 and Canine Adenovirus 2 Fiber Heads in Complex with the D1 Domain of Coxsackie and Adenovirus Receptor.
J.Biol.Chem., 281, 2006
5BX4
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BU of 5bx4 by Molmil
Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with Glucoimidazole
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLUCOIMIDAZOLE, ...
Authors:Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-06-08
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
2V2X
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BU of 2v2x by Molmil
T cell cross-reactivity and conformational changes during TCR engagement.
Descriptor: BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Lee, J.K, Stewart-Jones, G, Dong, T, harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, van der Merwe, P.A, Jones, E.Y, McMichael, A.J.
Deposit date:2007-06-07
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement.
J.Exp.Med., 200, 2004
7AWG
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BU of 7awg by Molmil
Crystal structure of human butyrylcholinesterase in complex with (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Wichur, T, Wieckowska, A.
Deposit date:2020-11-08
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
2BXL
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BU of 2bxl by Molmil
Human serum albumin complexed with myristate and 3,5-diiodosalicylic acid
Descriptor: 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, MYRISTIC ACID, SERUM ALBUMIN
Authors:Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
Deposit date:2005-07-26
Release date:2005-09-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
7AWH
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BU of 7awh by Molmil
Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Wichur, T, Wieckowska, A.
Deposit date:2020-11-08
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
2BXB
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BU of 2bxb by Molmil
Human serum albumin complexed with oxyphenbutazone
Descriptor: 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE, SERUM ALBUMIN
Authors:Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
Deposit date:2005-07-26
Release date:2005-09-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005

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