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5FDJ
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BU of 5fdj by Molmil
Hen egg lysozyme at room temperature solved from datasets acquired by ultrasonic acoustic levitation method and processed by CrystFEL
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Tsujino, S, Tomizaki, T.
Deposit date:2015-12-16
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ultrasonic acoustic levitation for fast frame rate X-ray protein crystallography at room temperature.
Sci Rep, 6, 2016
5F9U
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BU of 5f9u by Molmil
X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN UPON 24 HOURS OF INCUBATION AT 20 DEGREES
Descriptor: Cisplatin, GLYCEROL, Lysozyme C
Authors:Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A.
Deposit date:2015-12-10
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
5FCP
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BU of 5fcp by Molmil
X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN AT LONG INCUBATION TIMES
Descriptor: CHLORIDE ION, Cisplatin, GLYCEROL, ...
Authors:Russo Krauss, I, Ferraro, G, Pica, A, Merlino, A.
Deposit date:2015-12-15
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
5FDF
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BU of 5fdf by Molmil
Crystal structure of the monoclinic form of Thermotoga maritima Acetyl Esterase TM0077 (apo structure) at 1.76 Angstrom resolution
Descriptor: ACETATE ION, CHLORIDE ION, Cephalosporin-C deacetylase
Authors:Manoj, N, Singh, M.K.
Deposit date:2015-12-16
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An extended loop in CE7 carbohydrate esterase family is dispensable for oligomerization but required for activity and thermostability.
J.Struct.Biol., 194, 2016
5FMJ
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BU of 5fmj by Molmil
Bcl-xL with mouse Bak BH3 Q75L complex
Descriptor: 1,2-ETHANEDIOL, BAK1 PROTEIN, BCL-2-LIKE PROTEIN 1
Authors:Fairlie, W.D, Lee, E.F, Smith, B.J.
Deposit date:2015-11-06
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Physiological Restraint of Bak by Bcl-Xl is Essential for Cell Survival.
Genes Dev., 30, 2016
5FUI
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BU of 5fui by Molmil
Crystal structure of the C-terminal CBM6 of LamC a marine laminarianse from Zobellia galactanivorans
Descriptor: 2-AMINOMETHYL-PYRIDINE, ENDO-1,3-BETA-GLUCANASE, FAMILY GH16, ...
Authors:Labourel, A, Jam, M, Legentil, L, Sylla, B, Hehemann, J.H, Ficko-Blean, E, Ferrieres, V, Czjzek, M, Michel, G.
Deposit date:2016-01-27
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Unraveling the Multivalent Binding of a Marine Family 6 Carbohydrate-Binding Module with its Native Laminarin Ligand.
FEBS J., 283, 2016
5FGN
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BU of 5fgn by Molmil
Integral membrane protein lipooligosaccharide phosphoethanolamine transferase A (EptA) from Neisseria meningitidis
Descriptor: 2-O-octyl-beta-D-glucopyranose, DODECYL-BETA-D-MALTOSIDE, ZINC ION, ...
Authors:Anandan, A, Vrielink, A.
Deposit date:2015-12-21
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5FOT
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BU of 5fot by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTU TETRAPEPTIDE
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTU PEPTIDE, PHOSPHATE ION
Authors:Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
Deposit date:2015-11-26
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.189 Å)
Cite:Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
6SO4
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BU of 6so4 by Molmil
Fragment RZ132 in complex with MAP kinase p38-alpha
Descriptor: (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2019-08-29
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5GWB
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BU of 5gwb by Molmil
Hen Egg White Lysozyme native crystals soaked for 2 hours in precipitant solution containing 1 M guanidine hydrochloride and 25% glycerol, before data collection
Descriptor: CHLORIDE ION, GUANIDINE, Lysozyme C
Authors:Hosur, M.V, Kini, R.M, Yeow, C.
Deposit date:2016-09-10
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Hen Egg White Lysozyme native crystals soaked for 2 hours in precipitant solution containing 1 M guanidine hydrochloride and 25% glycerol, before data collection
To Be Published
3BE0
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BU of 3be0 by Molmil
The Role of Asn 242 in P450cin
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Meharenna, Y.T, Poulos, T.L.
Deposit date:2007-11-15
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The critical role of substrate-protein hydrogen bonding in the control of regioselective hydroxylation in p450cin
J.Biol.Chem., 283, 2008
6SOD
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BU of 6sod by Molmil
Fragment N14056a in complex with MAP kinase p38-alpha
Descriptor: 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2019-08-29
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5GSL
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BU of 5gsl by Molmil
Glycoside hydrolase A
Descriptor: 778aa long hypothetical beta-galactosidase, PHOSPHATE ION
Authors:Watanabe, M, Kamachi, S, Mine, S.
Deposit date:2016-08-16
Release date:2017-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Glycoside hydrolase A
To Be Published
5GT6
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BU of 5gt6 by Molmil
Apo structure of Aldehyde Dehydrogenase from Bacillus cereus
Descriptor: Betaine-aldehyde dehydrogenase, SODIUM ION
Authors:Ngo, H.P.T, Hong, S.H, Ho, T.H, Oh, D.K, Kang, L.W.
Deposit date:2016-08-18
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:crystal structures of aldehyde dehydrogenase from Bacillus cereus having atypical bidirectional oxidizing and reducing activities for all-trans-retinal
To Be Published
5GZG
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BU of 5gzg by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
Descriptor: Galectin-8, NICKEL (II) ION, SODIUM ION, ...
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
5GUD
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BU of 5gud by Molmil
Glutamate dehydrogenase from Corynebacterium glutamicum (alpha-iminoglutarate/NADP+ complex)
Descriptor: (2Z)-2-iminopentanedioic acid, CITRIC ACID, Glutamate dehydrogenase, ...
Authors:Tomita, T, Nishiyama, M.
Deposit date:2016-08-28
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of the 2-iminoglutarate-bound complex of glutamate dehydrogenase from Corynebacterium glutamicum
FEBS Lett., 591, 2017
5GW7
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BU of 5gw7 by Molmil
Crystal structure of the glycosynthase mutant E727A of Escherichia coli GH63 glycosidase in complex with glucose and lactose
Descriptor: CALCIUM ION, Glucosidase YgjK, MAGNESIUM ION, ...
Authors:Miyazaki, T, Tonozuka, T.
Deposit date:2016-09-08
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the enzyme-product complex reveals sugar ring distortion during catalysis by family 63 inverting alpha-glycosidase
J.Struct.Biol., 196, 2016
5G5K
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BU of 5g5k by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin
Descriptor: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, BETA-HEXOSAMINIDASE
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-05-25
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5GHJ
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BU of 5ghj by Molmil
Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Authors:Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y.
Deposit date:2016-06-20
Release date:2017-01-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
5GHP
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BU of 5ghp by Molmil
Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2-oxo-dATP
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION
Authors:Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y.
Deposit date:2016-06-20
Release date:2017-01-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.192 Å)
Cite:Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
5H58
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BU of 5h58 by Molmil
Structural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence
Descriptor: CprB, DNA (5'-D(*AP*GP*GP*C*AP*GP*GP*CP*GP*GP*CP*AP*CP*GP*GP*TP*CP*TP*GP*TP*TP*GP*AP*GP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*A*CP*TP*CP*AP*AP*CP*AP*GP*AP*CP*CP*GP*TP*GP*CP*CP*GP*CP*CP*TP*GP*CP*CP*T)-3')
Authors:Bhukya, H, Jana, A.K, Sengupta, N, Anand, R.
Deposit date:2016-11-04
Release date:2017-05-03
Last modified:2017-05-31
Method:X-RAY DIFFRACTION (3.991 Å)
Cite:Structural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence
J. Struct. Biol., 198, 2017
5GM6
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BU of 5gm6 by Molmil
Cryo-EM structure of the activated spliceosome (Bact complex) at 3.5 angstrom resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cold sensitive U2 snRNA suppressor 1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Yan, C, Wan, R, Bai, R, Huang, G, Shi, Y.
Deposit date:2016-07-12
Release date:2016-09-21
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of a yeast activated spliceosome at 3.5 angstrom resolution
Science, 353, 2016
6SOV
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BU of 6sov by Molmil
Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha
Descriptor: (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2019-08-30
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5GM5
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BU of 5gm5 by Molmil
Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoglucanase-1, SULFATE ION, ...
Authors:Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-07-12
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
5FWH
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BU of 5fwh by Molmil
N-terminal FHA domain from EssC a component of the bacterial Type VII secretion apparatus
Descriptor: ESSC
Authors:Zoltner, M, Ng, W.M.A.V, Money, J.J, Fyfe, P.K, Kneuper, H, Palmer, T, Hunter, W.N.
Deposit date:2016-02-17
Release date:2016-04-06
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Essc: Domain Structures Inform on the Elusive Translocation Channel in the Type Vii Secretion System.
Biochem.J., 473, 2016

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