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4OR7
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BU of 4or7 by Molmil
Klebsiella pneumoniae dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
Descriptor: 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lamb, K.M, Anderson, A.C.
Deposit date:2014-02-11
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structures of Klebsiella pneumoniae Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal Features for Potency and Selectivity.
Antimicrob.Agents Chemother., 58, 2014
4IC2
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BU of 4ic2 by Molmil
Crystal structure of the XIAP RING domain
Descriptor: E3 ubiquitin-protein ligase XIAP, NICKEL (II) ION, ZINC ION
Authors:Linke, K, Nakatani, Y, Day, C.L.
Deposit date:2012-12-09
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Regulation of ubiquitin transfer by XIAP, a dimeric RING E3 ligase
Biochem.J., 450, 2013
4O7J
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BU of 4o7j by Molmil
Crystal structure of CarG
Descriptor: CarG, SODIUM ION
Authors:Tichy, E.M, Luisi, B.F, Salmond, G.P.C.
Deposit date:2013-12-24
Release date:2014-03-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the carbapenem intrinsic resistance protein CarG
J.Mol.Biol., 426, 2014
4IBP
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BU of 4ibp by Molmil
Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione
Descriptor: GLUTATHIONE, Glutathione S-transferase-like protein YibF, SULFATE ION
Authors:Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-12-09
Release date:2012-12-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target IFI-900011, with bound glutathione
To be Published
4OSV
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BU of 4osv by Molmil
Crystal structure of the S505M mutant of TAL effector dHax3
Descriptor: DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3
Authors:Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N.
Deposit date:2014-02-13
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Revisiting the TALE repeat
Protein Cell, 5, 2014
2XZV
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BU of 2xzv by Molmil
The cyanobacterial PP2C-like phosphatase tPphA requires three metals in the catalytic center for efficient catalysis
Descriptor: CALCIUM ION, MAGNESIUM ION, PROTEIN SERIN-THREONIN PHOSPHATASE
Authors:Schlicker, C, Jiyong, S, Forchhammer, K.
Deposit date:2010-12-01
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Third Metal is Required for Catalytic Activity of the Signal-Transducing Protein Phosphatase M Tppha.
J.Biol.Chem., 286, 2011
2A7C
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BU of 2a7c by Molmil
On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength
Descriptor: Elastase 1, GLYCEROL, SULFATE ION, ...
Authors:Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S.
Deposit date:2005-07-05
Release date:2005-07-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength.
Acta Crystallogr.,Sect.D, 61, 2005
4OTT
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BU of 4ott by Molmil
Crystal structure of the gamma-glutamyltranspeptidase from Bacillus licheniformis.
Descriptor: Gamma glutamyl transpeptidase, Gamma-glutamyltranspeptidase, MAGNESIUM ION
Authors:Merlino, A.
Deposit date:2014-02-14
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Low resolution X-ray structure of gamma-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion.
Biochim.Biophys.Acta, 1844, 2014
4IGJ
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BU of 4igj by Molmil
Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, target EFI-507175
Descriptor: Maleylacetoacetate isomerase, SULFATE ION
Authors:Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C.
Deposit date:2012-12-17
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, target EFI-507175
To be Published
3ZSC
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BU of 3zsc by Molmil
Catalytic function and substrate recognition of the pectate lyase from Thermotoga maritima
Descriptor: 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid, GLYCEROL, PECTATE TRISACCHARIDE-LYASE, ...
Authors:McDonough, M.A, Thymark, M, Frisner, H, Hotchkiss, A, Sonksen, C, Bjornvad, M, Johansen, K.S, Larsen, S.
Deposit date:2011-06-24
Release date:2012-07-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Catalytic Function and Substrate Recognition of the Pectate Lyase from Thermotoga Maritima
To be Published
4IKT
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BU of 4ikt by Molmil
Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with N1-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)-N2-(5-(trifluoromethyl)pyridin-2-yl)ethane-1,2-diamine
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Addlagatta, A, Kishor, C, Arya, T.
Deposit date:2012-12-28
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
4OVX
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BU of 4ovx by Molmil
Crystal structure of Xylose isomerase domain protein from Planctomyces limnophilus DSM 3776
Descriptor: 1,2-ETHANEDIOL, Xylose isomerase domain protein TIM barrel
Authors:Chang, C, Bigelow, L, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-01-22
Release date:2014-02-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Crystal structure of Xylose isomerase domain protein from Planctomyces limnophilus DSM 3776
To be published
1T6B
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BU of 1t6b by Molmil
Crystal structure of B. anthracis Protective Antigen complexed with human Anthrax toxin receptor
Descriptor: Anthrax toxin receptor 2, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Santelli, E, Bankston, L.A, Leppla, S.H, Liddington, R.C.
Deposit date:2004-05-05
Release date:2004-07-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a complex between anthrax toxin and its host cell receptor
Nature, 430, 2004
2A9M
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BU of 2a9m by Molmil
Structural Analysis of a Tight-binding Fluorescein-scFv; apo form
Descriptor: fluorescein-scfv
Authors:Cambillau, C, Spinelli, S, Honegger, A, Pluckthun, A.
Deposit date:2005-07-12
Release date:2005-10-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A mutation designed to alter crystal packing permits structural analysis of a tight-binding fluorescein-scFv complex.
Protein Sci., 14, 2005
5RGD
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BU of 5rgd by Molmil
Crystal Structure of Kemp Eliminase HG3.14 with bound transition state analogue, 277K
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.14, SULFATE ION
Authors:Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A.
Deposit date:2020-03-19
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico.
Nat Commun, 11, 2020
5RHJ
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BU of 5rhj by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z126932614
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[(methylsulfonyl)methyl]-1H-benzimidazole, ...
Authors:Godoy, A.S, Mesquita, N.C.M.R, Oliva, G.
Deposit date:2020-05-25
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SXQ
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BU of 5sxq by Molmil
Crystal structure of B. pseudomallei KatG with isonicotinic acid hydrazide bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-10
Release date:2016-08-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
4IHK
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BU of 4ihk by Molmil
Crystal structure of the Collagen VI alpha3 N5 domain R1061Q
Descriptor: Collagen alpha3(VI)
Authors:Mikolajek, H, Becker, A.K.A, Paulsson, M, Wagener, R, Werner, J.M.
Deposit date:2012-12-19
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A structure of a collagen VI VWA domain displays N and C termini at opposite sides of the protein
Structure, 22, 2014
1T9S
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BU of 1t9s by Molmil
Catalytic Domain Of Human Phosphodiesterase 5A in Complex with GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ...
Authors:Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G.
Deposit date:2004-05-18
Release date:2004-08-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
4IEW
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BU of 4iew by Molmil
Cys-only bound Cysteine Dioxygenase at pH 9.0 in the presence of Cys
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION
Authors:Driggers, C.M, Cooley, R.B, Karplus, P.A.
Deposit date:2012-12-13
Release date:2013-06-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.
J.Mol.Biol., 425, 2013
1TBB
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BU of 1tbb by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Rolipram
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, ROLIPRAM, ...
Authors:Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G.
Deposit date:2004-05-19
Release date:2004-08-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
1TEJ
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BU of 1tej by Molmil
Crystal structure of a disintegrin heterodimer at 1.9 A resolution.
Descriptor: disintegrin chain A, disintegrin chain B
Authors:Bilgrami, S, Kaur, P, Yadav, S, Perbandt, M, Betzel, C, Singh, T.P.
Deposit date:2004-05-25
Release date:2004-06-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Disintegrin Heterodimer from Saw-Scaled Viper (Echis carinatus) at 1.9 A Resolution
Biochemistry, 44, 2005
4IFS
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BU of 4ifs by Molmil
Crystal structure of the hSSRP1 Middle domain
Descriptor: CHLORIDE ION, FACT complex subunit SSRP1
Authors:Zhang, W.J, Zeng, F.X, Shao, C, Liu, Y.W, Niu, L.W, Li, X, Teng, M.K.
Deposit date:2012-12-15
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of the hSSRP1 Middle domain
To be Published
1TG4
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BU of 1tg4 by Molmil
Design of specific inhibitors of groupII phospholipase A2(PLA2): Crystal structure of the complex formed between russells viper PLA2 and designed peptide Phe-Leu-Ala-Tyr-Lys at 1.7A resolution
Descriptor: FLAYK peptide, Phospholipase A2, SULFATE ION
Authors:Singh, N, Somvanshi, R.K, Sharma, S, Dey, S, Perbandt, M, Betzel, C, Ethayathulla, A.S, Singh, T.P.
Deposit date:2004-05-28
Release date:2004-06-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of specific inhibitors of groupII phospholipase A2(PLA2): Crystal structure of the complex formed between russells viper PLA2 and designed peptide Phe-Leu-Ala-Tyr-Lys at 1.7A resolution
TO BE PUBLISHED
2ABA
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BU of 2aba by Molmil
Structure of reduced PETN reductase in complex with progesterone
Descriptor: FLAVIN MONONUCLEOTIDE, ISOPROPYL ALCOHOL, PROGESTERONE, ...
Authors:Khan, H, Barna, T, Bruce, N.C, Munro, A.W, Leys, D, Scrutton, N.S.
Deposit date:2005-07-15
Release date:2005-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Proton transfer in the oxidative half-reaction of pentaerythritol tetranitrate reductase
Febs J., 272, 2005

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