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3ZF6
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BU of 3zf6 by Molmil
Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase D81A D110C S168C mutant with dUpNHpp).
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DUTPASE, NICKEL (II) ION
Authors:Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
Deposit date:2012-12-10
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
6SGR
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BU of 6sgr by Molmil
Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc with cardiolipin
Descriptor: DARPin, Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrB
Authors:Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F.
Deposit date:2019-08-05
Release date:2020-05-13
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.
Structure, 28, 2020
2ONU
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BU of 2onu by Molmil
Plasmodium falciparum ubiquitin conjugating enzyme PF10_0330, putative homologue of human UBE2H
Descriptor: TETRAETHYLENE GLYCOL, Ubiquitin-conjugating enzyme, putative
Authors:Dong, A, Lew, J, Lin, L, Hassanali, A, Zhao, Y, Senisterra, G, Wasney, G, Vedadi, M, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Hui, R, Brokx, S.J, Structural Genomics Consortium (SGC)
Deposit date:2007-01-24
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Plasmodium falciparum ubiquitin conjugating enzyme PF10_0330, putative homologue of human UBE2H
To be Published
6PFN
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BU of 6pfn by Molmil
Succinyl-CoA synthase from Francisella tularensis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ...
Authors:Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-06-21
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Succinyl-CoA synthase from Francisella tularensis
to be published
2WTU
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BU of 2wtu by Molmil
Crystal structure of Escherichia coli MutS in complex with a 16 basepair oligo containing an A.A mismatch.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DNA, ...
Authors:Natrajan, G, Lebbink, J.H, Reumer, A, Fish, A, Winterwerp, H.H, Sixma, T.K.
Deposit date:2009-09-22
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Magnesium coordination controls the molecular switch function of DNA mismatch repair protein MutS.
J. Biol. Chem., 285, 2010
3ZF1
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BU of 3zf1 by Molmil
Phage dUTPases control transfer of virulence genes by a proto- oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase D81N mutant with dUpNHpp).
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, NICKEL (II) ION
Authors:Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R.
Deposit date:2012-12-10
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
7RR0
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BU of 7rr0 by Molmil
SARS-CoV-2 receptor binding domain bound to Fab PDI 222
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PDI 222 Fab Heavy Chain, PDI 222 Fab Light Chain, ...
Authors:Pymm, P, Glukhova, A, Black, K.A, Tham, W.H.
Deposit date:2021-08-08
Release date:2021-10-06
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
8P8H
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BU of 8p8h by Molmil
Crystal structure of HHD2 domain of hRTEL1
Descriptor: Regulator of telomere elongation helicase 1
Authors:Hegde, R.P, Kanade, M, Cortone, G, Graewert, M, Longo, A, Gonzalez, A, Chaves-Arquero, B, Blanco, F.J, Napolitano, L.M.R, Onesti, S.
Deposit date:2023-06-01
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of HHD2 domain of hRTEL1
To Be Published
8P3N
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BU of 8p3n by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
Descriptor: 9-METHYL-9H-PURIN-6-AMINE, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-18
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
To Be Published
1DBO
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BU of 1dbo by Molmil
CRYSTAL STRUCTURE OF CHONDROITINASE B
Descriptor: 4-deoxy-alpha-D-glucopyranose-(1-3)-[beta-D-glucopyranose-(1-4)]2-O-methyl-beta-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose, 4-deoxy-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CHONDROITINASE B
Authors:Huang, W, Matte, A, Li, Y, Kim, Y.S, Linhardt, R.J, Su, H, Cygler, M.
Deposit date:1999-11-03
Release date:2000-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of chondroitinase B from Flavobacterium heparinum and its complex with a disaccharide product at 1.7 A resolution.
J.Mol.Biol., 294, 1999
1DK9
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BU of 1dk9 by Molmil
SOLUTION STRUCTURE ANALYSIS OF THE DNA DUPLEX D(CATGAGTAC)D(GTACTCATG)
Descriptor: 5'-D(CP*AP*TP*GP*AP*GP*TP*AP*CP*)-3', 5'-D(GP*TP*AP*CP*TP*CP*AP*TP*GP*)-3'
Authors:Klewer, D.A, Hoskins, A, Davisson, V.J, Bergstrom, D.E, LiWang, A.C.
Deposit date:1999-12-06
Release date:1999-12-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of a DNA duplex containing nucleoside analog 1-(2'-deoxy-beta-D-ribofuranosyl)-3-nitropyrrole and the structure of the unmodified control.
Nucleic Acids Res., 28, 2000
1LTU
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BU of 1ltu by Molmil
CRYSTAL STRUCTURE OF CHROMOBACTERIUM VIOLACEUM, APO (NO IRON BOUND) STRUCTURE
Descriptor: PHENYLALANINE-4-HYDROXYLASE
Authors:Erlandsen, H, Kim, J.Y, Patch, M.G, Han, A, Volner, A, Abu-Omar, M.M, Stevens, R.C.
Deposit date:2002-05-20
Release date:2002-07-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural comparison of bacterial and human iron-dependent phenylalanine hydroxylases: similar fold, different stability and reaction rates.
J.Mol.Biol., 320, 2002
5WM8
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BU of 5wm8 by Molmil
Structure of the 10R (+)-cis-BP-dG modified Rev1 ternary complex
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K.
Deposit date:2017-07-28
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Nat Commun, 8, 2017
1KYT
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BU of 1kyt by Molmil
Crystal Structure of Thermoplasma acidophilum 0175 (APC014)
Descriptor: CALCIUM ION, hypothetical protein TA0175
Authors:Kim, Y, Joachimiak, A, Edwards, A, Xu, X, Pennycooke, M, Gu, J, Cheung, F, Christendat, D, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-02-05
Release date:2003-01-21
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Thermoplasma acidophilum 0175 (APC014)
To be published
1DLW
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BU of 1dlw by Molmil
X-RAY CRYSTAL STRUCTURE OF TRUNCATED HEMOGLOBIN FROM P.CAUDATUM.
Descriptor: HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pesce, A, Couture, M, Guertin, M, Dewilde, S, Moens, L, Bolognesi, M.
Deposit date:1999-12-13
Release date:2000-09-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A novel two-over-two alpha-helical sandwich fold is characteristic of the truncated hemoglobin family.
EMBO J., 19, 2000
6SEU
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BU of 6seu by Molmil
X-ray structure of the gold/lysozyme adduct formed upon 21h exposure of protein crystals to compound 2
Descriptor: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
Authors:Ferraro, G, Giorgio, A, Merlino, A.
Deposit date:2019-07-30
Release date:2019-09-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
2WNN
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BU of 2wnn by Molmil
Structure of wild type E. coli N-acetylneuraminic acid lyase in complex with pyruvate in space group P21
Descriptor: N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, SODIUM ION
Authors:Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A.
Deposit date:2009-07-13
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution.
J.Mol.Biol., 404, 2010
6V24
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BU of 6v24 by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate.
Descriptor: ASPARTIC ACID, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-11-22
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
1DI9
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BU of 1di9 by Molmil
THE STRUCTURE OF P38 MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE
Descriptor: 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE, P38 KINASE
Authors:Shewchuk, L, Hassell, A, Kuyper, L.F.
Deposit date:1999-11-29
Release date:2000-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase.
J.Med.Chem., 43, 2000
6P0Q
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BU of 6p0q by Molmil
Crystal Structure of Ubiquitin-like Domain of Human WDR12
Descriptor: 1,2-ETHANEDIOL, Ribosome biogenesis protein WDR12
Authors:Halabelian, L, Dong, A, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-05-17
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of Ubiquitin-like Domain of Human WDR12
to be published
6V2G
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BU of 6v2g by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate and tetrahedral intermediate.
Descriptor: L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-11-22
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
3P48
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BU of 3p48 by Molmil
Structure of the yeast dUTPase DUT1 in complex with dUMPNPP
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION
Authors:Petit, P, Singer, A.U, Evdokimova, E, Kudritska, M, Edwards, A.M, Yakunin, A.F, Savchenko, A, Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2010-10-06
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure and activity of the Saccharomyces cerevisiae dUTP pyrophosphatase DUT1, an essential housekeeping enzyme.
Biochem.J., 437, 2011
2OC7
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BU of 2oc7 by Molmil
Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696
Descriptor: BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ...
Authors:Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
6V25
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BU of 6v25 by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp
Descriptor: ASPARTIC ACID, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-11-22
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
2X1O
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BU of 2x1o by Molmil
Gelsolin Nanobody
Descriptor: GELSOLIN NANOBODY
Authors:Van Den Abbeele, A, Declercq, S, De Ganck, A, De Corte, V, Van Loo, B, Srinivasan, V, Steyaert, J, Van De Kerckhove, J, Gettemans, J.
Deposit date:2010-01-03
Release date:2011-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:A Llama-Derived Gelsolin Single-Domain Antibody Blocks Gelsolin-G-Actin Interaction.
Cell.Mol.Life Sci., 67, 2010

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