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6TWH
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BU of 6twh by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
Deposit date:2020-01-13
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6U60
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BU of 6u60 by Molmil
Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD and L-tyrosine
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Prephenate dehydrogenase, ...
Authors:Shabalin, I.G, Hou, J, Kutner, J, Grimshaw, S, Christendat, D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-28
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
3EBN
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BU of 3ebn by Molmil
A Special Dimerization of SARS-CoV Main Protease C-Terminal Domain Due to Domain-swapping
Descriptor: Replicase polyprotein 1ab
Authors:Zhong, N, Zhang, S, Xue, F, Kang, X, Lou, Z, Xia, B.
Deposit date:2008-08-28
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:C-terminal domain of SARS-CoV main protease can form a 3D domain-swapped dimer
PROTEIN SCI., 18, 2009
3VKN
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BU of 3vkn by Molmil
Galectin-8 N-terminal domain in free form
Descriptor: CHLORIDE ION, Galectin-8
Authors:Kamitori, S, Yoshida, H.
Deposit date:2011-11-18
Release date:2012-09-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:X-ray structure of a protease-resistant mutant form of human galectin-8 with two carbohydrate recognition domains
Febs J., 279, 2012
6RH0
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BU of 6rh0 by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 5.5
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Response regulator, ...
Authors:Mideros-Mora, C, Casino, P, Marina, A.
Deposit date:2019-04-18
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
6RHH
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BU of 6rhh by Molmil
Single crystal serial study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi at sub-atomic resolution. Third structure of the series with 315 KGy dose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase 2, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2019-04-20
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
6U2O
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BU of 6u2o by Molmil
Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
Authors:Ouzon-Shubeita, H, Vilas, C.K, Lee, S.
Deposit date:2019-08-20
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the Mutagenic Bypass of the Major Cisplatin-DNA Lesion by Human DNA Polymerase Beta Reveal Insights into Cisplatin-Induced Mutagenesis
To Be Published
6RHX
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BU of 6rhx by Molmil
Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by chloride anions at sub-atomic resolution. Third structure of the series with 315 KGy dose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
Authors:Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N.
Deposit date:2019-04-23
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism.
Acta Crystallogr D Struct Biol, 75, 2019
6OEV
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BU of 6oev by Molmil
Structure of human Patched1 in complex with native Sonic Hedgehog
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1, ...
Authors:Qi, X, Li, X.
Deposit date:2019-03-27
Release date:2019-04-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of human Patched and its complex with native palmitoylated sonic hedgehog.
Nature, 560, 2018
6U4R
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BU of 6u4r by Molmil
Crystal structure of Equine Serum Albumin complex with ketoprofen
Descriptor: (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, SULFATE ION, Serum albumin, ...
Authors:Czub, M.P, Handing, K.B, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-26
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
6RIV
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BU of 6riv by Molmil
Crystal structure of Alopecurus myosuroides GSTF
Descriptor: GLYCEROL, Glutathione transferase, S-Hydroxy-Glutathione, ...
Authors:Papageorgiou, A.C, Poudel, N.
Deposit date:2019-04-25
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Comparative structural and functional analysis of phi class glutathione transferases involved in multiple-herbicide resistance of grass weeds and crops.
Plant Physiol Biochem., 149, 2020
4B0J
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BU of 4b0j by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 5-(2- thienyl)-3-isoxazolyl methanol
Descriptor: (5-thiophen-2-ylisoxazol-3-yl)methanol, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE
Authors:Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H.
Deposit date:2012-07-02
Release date:2012-11-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonas Aeruginosa
J.Mol.Biol., 425, 2013
6UBP
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BU of 6ubp by Molmil
Crystal structure of a photochemical intermediate of human indoleamine 2,3-dioxygenase 1 in complex with carbon monoxide and tryptophan
Descriptor: CARBON MONOXIDE, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Pham, K.N, Yeh, S.R.
Deposit date:2019-09-12
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformational Plasticity in Human Heme-Based Dioxygenases.
J.Am.Chem.Soc., 143, 2021
6OM4
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BU of 6om4 by Molmil
The structure of Microcin C7 biosynthetic enzyme MccB in complex with N-formylated MccA
Descriptor: 5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, MccB protein, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-04-18
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biosynthesis of the RiPP trojan horse nucleotide antibiotic microcin C is directed by theN-formyl of the peptide precursor.
Chem Sci, 10, 2019
3VWR
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BU of 3vwr by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/H266N/D370Y mutant complexd with 6-aminohexanoate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
Authors:Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
Deposit date:2012-08-30
Release date:2013-10-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
4HJR
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BU of 4hjr by Molmil
Crystal structure of F2YRS
Descriptor: Tyrosine-tRNA ligase
Authors:Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W.
Deposit date:2012-10-13
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Angew.Chem.Int.Ed.Engl., 52, 2013
6ONX
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BU of 6onx by Molmil
Dehaloperoxidase B in complex with substrate 4-Br-cresol
Descriptor: 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6RRX
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BU of 6rrx by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol
Descriptor: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
3EU0
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BU of 3eu0 by Molmil
Crystal structure of the S-nitrosylated Cys215 of PTP1B
Descriptor: Tyrosine-protein phosphatase non-receptor type 1
Authors:Chu, H.M, Wang, A.H.J, Chen, Y.Y, Pan, K.T, Wang, D.L, Khoo, K.H, Meng, T.C.
Deposit date:2008-10-09
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cysteine S-Nitrosylation Protects Protein-tyrosine Phosphatase 1B against Oxidation-induced Permanent Inactivation
J.Biol.Chem., 283, 2008
6UM1
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BU of 6um1 by Molmil
Structure of M-6-P/IGFII Receptor at pH 4.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor, ...
Authors:Wang, R, Qi, X, Li, X.
Deposit date:2019-10-08
Release date:2020-02-26
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Marked structural rearrangement of mannose 6-phosphate/IGF2 receptor at different pH environments
Sci Adv, 6, 2020
6OR3
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BU of 6or3 by Molmil
Structure of an Acyl Intermediate of Thermomyces Lanuginosa Lipase With Palmitic Acid in an Orthorhombic Crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lipase, ...
Authors:McPherson, A.
Deposit date:2019-04-29
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Current Enzyme Inhibition, 16, 2020
6RWP
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BU of 6rwp by Molmil
Engineered beta-lactoglobulin: variant L58F in complex with myristic acid
Descriptor: Beta-lactoglobulin, MYRISTIC ACID, SULFATE ION
Authors:Loch, J.I, Kaczor, K, Lewinski, K.
Deposit date:2019-06-05
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
3VEZ
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BU of 3vez by Molmil
Crystal structure of the O-carbamoyltransferase TobZ K443A variant in complex with ATP, ADP and carbamoyl phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, FE (II) ION, ...
Authors:Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F.
Deposit date:2012-01-09
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
6RWT
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BU of 6rwt by Molmil
Crystal structure of the Cbp3 homolog from Brucella abortus
Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Masuyer, G, Ndi, M, Ott, M, Stenmark, P.
Deposit date:2019-06-06
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural basis for the interaction of the chaperone Cbp3 with newly synthesized cytochromebduring mitochondrial respiratory chain assembly.
J.Biol.Chem., 294, 2019
6RP3
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BU of 6rp3 by Molmil
Truncated Norcoclaurine synthase with reaction intermediate mimic
Descriptor: 1,2-ETHANEDIOL, 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase
Authors:Keep, N.H, Roddan, R, Sula, A.
Deposit date:2019-05-13
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Acceptance and Kinetic Resolution of alpha-Methyl-Substituted Aldehydes by Norcoclaurine Synthases
Acs Catalysis, 2019

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