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4GW0
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BU of 4gw0 by Molmil
Crystal structure of arginine kinase in complex with imino-L-ornithine, MgADP, and nitrate.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, MAGNESIUM ION, ...
Authors:Clark, S.A, Davulcu, O, Chapman, M.S.
Deposit date:2012-08-31
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
4GW2
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BU of 4gw2 by Molmil
Crystal structure of arginine kinase in complex with L-ornithine, MgADP, and nitrate.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, L-ornithine, ...
Authors:Clark, S.A, Davulcu, O, Chapman, M.S.
Deposit date:2012-08-31
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.157 Å)
Cite:Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
4H9G
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BU of 4h9g by Molmil
Probing EF-Tu with a very small brominated fragment library identifies the CCA pocket
Descriptor: 5-bromofuran-2-carboxylic acid, AMMONIUM ION, Elongation factor Tu-A, ...
Authors:Groftehauge, M.K, Therkelsen, M, Taaning, R.H, Skrydstrup, T, Morth, J.P, Nissen, P.
Deposit date:2012-09-24
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
4H17
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BU of 4h17 by Molmil
Crystal structure of an isochorismatase (PP1826) from Pseudomonas putida KT2440 at 1.60 A resolution
Descriptor: 1,2-ETHANEDIOL, Hydrolase, isochorismatase family, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-10
Release date:2012-11-14
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of an isochorismatase (PP1826) from Pseudomonas putida KT2440 at 1.60 A resolution
To be published
4IMJ
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BU of 4imj by Molmil
Novel Modifications on C-terminal Domain of RNA Polymerase II can Fine-tune the Phosphatase Activity of Ssu72
Descriptor: CG14216, CTD, PHOSPHATE ION, ...
Authors:Luo, Y, Yogesha, S.D, Zhang, Y.
Deposit date:2013-01-03
Release date:2013-08-07
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Novel Modifications on C-terminal Domain of RNA Polymerase II Can Fine-tune the Phosphatase Activity of Ssu72.
Acs Chem.Biol., 8, 2013
4GVY
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BU of 4gvy by Molmil
Crystal structure of arginine kinase in complex with L-citrulline and MgADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, CITRULLINE, ...
Authors:Clark, S.A, Davulcu, O, Chapman, M.S.
Deposit date:2012-08-31
Release date:2012-10-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
4G2T
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BU of 4g2t by Molmil
Crystal Structure of Streptomyces sp. SF2575 glycosyltransferase SsfS6, complexed with thymidine diphosphate
Descriptor: SsfS6, THYMIDINE-5'-DIPHOSPHATE
Authors:Wang, F, Zhou, M, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2012-07-12
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Crystal structure of SsfS6, the putative C-glycosyltransferase involved in SF2575 biosynthesis.
Proteins, 81, 2013
4GI7
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BU of 4gi7 by Molmil
Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with a pantothenate analogue
Descriptor: (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ...
Authors:Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2012-08-08
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides.
Proteins, 81, 2013
4GF9
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BU of 4gf9 by Molmil
Structural insights into the dual strategy of recognition of peptidoglycan recognition protein, PGRP-S: ternary complex of PGRP-S with LPS and fatty acid
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, Peptidoglycan recognition protein 1, ...
Authors:Sharma, P, Dube, D, Sinha, M, Yadav, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-08-03
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the dual strategy of recognition by peptidoglycan recognition protein, PGRP-S: structure of the ternary complex of PGRP-S with lipopolysaccharide and stearic acid.
Plos One, 8, 2013
4IMI
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BU of 4imi by Molmil
Novel Modifications on C-terminal Domain of RNA Polymerase II can Fine- tune the Phosphatase Activity of Ssu72.
Descriptor: CG14216, CTD, PHOSPHATE ION, ...
Authors:Luo, Y, Yogesha, S.D, Zhang, Y.
Deposit date:2013-01-03
Release date:2013-08-07
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Novel Modifications on C-terminal Domain of RNA Polymerase II Can Fine-tune the Phosphatase Activity of Ssu72.
Acs Chem.Biol., 8, 2013
4JTN
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BU of 4jtn by Molmil
Cysteine Dioxygenase at pH 8.0 in the presence of dithionite
Descriptor: Cysteine dioxygenase type 1, FE (II) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2013-03-23
Release date:2013-06-26
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.593 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
4G56
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BU of 4g56 by Molmil
Crystal Structure of full length PRMT5/MEP50 complexes from Xenopus laevis
Descriptor: Hsl7 protein, MGC81050 protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Ho, M, Wilczek, C, Bonanno, J, Shechter, D, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-07-17
Release date:2012-10-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the arginine methyltransferase PRMT5-MEP50 reveals a mechanism for substrate specificity
Plos One, 8, 2013
4J8T
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BU of 4j8t by Molmil
Engineered Digoxigenin binder DIG10.2
Descriptor: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2013-02-14
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4JVL
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BU of 4jvl by Molmil
Crystal structure of human estrogen sulfotransferase (SULT1E1) in complex with inactive cofactor PAP and estradiol (E2)
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-3'-5'-DIPHOSPHATE, ESTRADIOL, ...
Authors:Gosavi, R.A, Knudsen, G.A, Birnbaum, L.S, Pedersen, L.C.
Deposit date:2013-03-25
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Mimicking of Estradiol Binding by Flame Retardants and Their Metabolites: A Crystallographic Analysis.
Environ.Health Perspect., 121, 2013
4HUH
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BU of 4huh by Molmil
Structure of the bacteriophage T4 tail terminator protein, gp15 (C-terminal truncation mutant 1-261).
Descriptor: Tail connector protein Gp15
Authors:Fokine, A, Zhang, Z, Kanamaru, S, Bowman, V.D, Aksyuk, A, Arisaka, F, Rao, V.B, Rossmann, M.G.
Deposit date:2012-11-02
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The molecular architecture of the bacteriophage t4 neck.
J.Mol.Biol., 425, 2013
4J9A
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BU of 4j9a by Molmil
Engineered Digoxigenin binder DIG10.3
Descriptor: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2013-02-15
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
4JTO
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BU of 4jto by Molmil
Cysteine bound Cysteine Dioxygenase at pH 8.0 in the presence of Cys and dithionite
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2013-03-23
Release date:2013-06-26
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (2 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
4JVN
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BU of 4jvn by Molmil
Crystal structure of human estrogen sulfotransferase (SULT1E1) in complex with inactive cofactor PAP and metabolite of brominated flame retardant 3OH BDE47 (3-hydroxyl bromodiphenyl ether)
Descriptor: 1,2-ETHANEDIOL, 2,6-dibromo-3-(2,4-dibromophenoxy)phenol, ADENOSINE-3'-5'-DIPHOSPHATE, ...
Authors:Gosavi, R.A, Knudsen, G.A, Birnbaum, L.S, Pedersen, L.C.
Deposit date:2013-03-25
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mimicking of Estradiol Binding by Flame Retardants and Their Metabolites: A Crystallographic Analysis.
Environ.Health Perspect., 121, 2013
2LY6
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BU of 2ly6 by Molmil
Refined solution structure of recombinant brazzein at low temperature
Descriptor: Defensin-like protein
Authors:Cornilescu, C.C, Cornilescu, G, Tonelli, M, Markley, J.L, Assadi-Porter, F.M.
Deposit date:2012-09-12
Release date:2012-10-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Temperature-dependent conformational change affecting Tyr11 and sweetness loops of brazzein.
Proteins, 81, 2013
2Z7K
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BU of 2z7k by Molmil
tRNA-Guanine transglycosylase (TGT) in complex with 2-Amino-lin-Benzoguanine
Descriptor: 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Ritschel, T, Heine, A, Klebe, G.
Deposit date:2007-08-24
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT
Chembiochem, 10, 2009
2MHH
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BU of 2mhh by Molmil
Solution structure of a EF-hand domain from sea urchin polycystin-2
Descriptor: Polycystic kidney disease protein 2
Authors:Kuo, I.Y, Keeler, C, Corbin, R, Celic, A, Petri, E.T, Hodsdon, M.E, Ehrlich, B.E.
Deposit date:2013-11-22
Release date:2014-10-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The number and location of EF hand motifs dictates the calcium dependence of polycystin-2 function.
Faseb J., 28, 2014
2ZBN
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BU of 2zbn by Molmil
Crystal structure of PH1033 from Pyrococcus horikoshii OT3
Descriptor: UPF0310 protein PH1033
Authors:Sugahara, M, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-10-26
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nucleant-mediated protein crystallization with the application of microporous synthetic zeolites.
Acta Crystallogr.,Sect.D, 64, 2008
2LY5
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BU of 2ly5 by Molmil
Refined solution structure of recombinant brazzein
Descriptor: Defensin-like protein
Authors:Cornilescu, C.C, Cornilescu, G, Tonelli, M, Markley, J.L, Assadi-Porter, F.M.
Deposit date:2012-09-12
Release date:2013-01-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Temperature-dependent conformational change affecting Tyr11 and sweetness loops of brazzein.
Proteins, 81, 2013
5IV0
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BU of 5iv0 by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with sulfonamide inhibitor 39 and coenzyme A
Descriptor: CHLORIDE ION, COENZYME A, Enhanced intracellular survival protein, ...
Authors:Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2016-03-18
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sulfonamide-Based Inhibitors of Aminoglycoside Acetyltransferase Eis Abolish Resistance to Kanamycin in Mycobacterium tuberculosis.
J. Med. Chem., 59, 2016
2N6P
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BU of 2n6p by Molmil
Solution NMR structure of Outer Membrane Protein G P92A mutant from Pseudomonas aeruginosa
Descriptor: Outer membrane protein OprG
Authors:Kucharska, I, Seelheim, P, Edrington, T.C, Liang, B, Tamm, L.K.
Deposit date:2015-08-27
Release date:2015-12-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:OprG Harnesses the Dynamics of its Extracellular Loops to Transport Small Amino Acids across the Outer Membrane of Pseudomonas aeruginosa.
Structure, 23, 2015

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