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5GTI
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BU of 5gti by Molmil
Native XFEL structure of photosystem II (two flash dataset)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2016-08-20
Release date:2017-03-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
5H2F
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BU of 5h2f by Molmil
Crystal structure of the PsbM-deletion mutant of photosystem II
Descriptor: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Uto, S, Kawakami, K, Umena, Y, Iwai, M, Ikeuchi, M, Shen, J.R, Kamiya, N.
Deposit date:2016-10-15
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutual relationships between structural and functional changes in a PsbM-deletion mutant of photosystem II.
Faraday Discuss., 198, 2017
1B73
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BU of 1b73 by Molmil
GLUTAMATE RACEMASE FROM AQUIFEX PYROPHILUS
Descriptor: GLUTAMATE RACEMASE
Authors:Hwang, K.Y, Cho, C.S, Kim, S.S, Yu, Y.G, Cho, Y.
Deposit date:1999-01-26
Release date:1999-01-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and mechanism of glutamate racemase from Aquifex pyrophilus.
Nat.Struct.Biol., 6, 1999
5H2Z
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BU of 5h2z by Molmil
Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Wu, D, Huang, J.
Deposit date:2016-10-19
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
To Be Published
5H46
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BU of 5h46 by Molmil
Mycobacterium smegmatis Dps1 mutant - F47E
Descriptor: DNA protection during starvation protein, FE (II) ION
Authors:Williams, S.M, Chandran, A.V, Vijayan, M, Chatterji, D.
Deposit date:2016-10-31
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Mutation Directs the Structural Switch of DNA Binding Proteins under Starvation to a Ferritin-like Protein Cage.
Structure, 25, 2017
5G3R
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BU of 5g3r by Molmil
Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc
Descriptor: 2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, ...
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-04-30
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
5H4R
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BU of 5h4r by Molmil
the complex of Glycoside Hydrolase 5 Lichenase from Caldicellulosiruptor sp. F32 E188Q mutant and cellotetraose
Descriptor: Beta-1,3-1,4-glucanase, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Dong, S, Zhou, H, Liu, X, Wang, X, Feng, Y.
Deposit date:2016-11-02
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.70310438 Å)
Cite:Structural insights into the substrate specificity of a glycoside hydrolase family 5 lichenase from Caldicellulosiruptor sp. F32
Biochem. J., 474, 2017
5FM6
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BU of 5fm6 by Molmil
Double-heterohexameric rings of full-length Rvb1(ADP)Rvb2(apo)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, RVB1, ...
Authors:Silva-Martin, N, Dauden, M.I, Glatt, S, Hoffmann, N.A, Mueller, C.W.
Deposit date:2015-11-02
Release date:2016-01-20
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:The Combination of X-Ray Crystallography and Cryo-Electron Microscopy Provides Insight Into the Overall Architecture of the Dodecameric Rvb1/Rvb2 Complex.
Plos One, 11, 2016
5FOQ
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BU of 5foq by Molmil
Acetylcholinesterase in complex with C7653
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Berg, L, Mishra, B.K, Andersson, D.C, Ekstrom, F, Linusson, A.
Deposit date:2015-11-25
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Nature of Activated Non-Classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes.
Chemistry, 22, 2016
5F9X
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BU of 5f9x by Molmil
X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND CISPLATIN UPON 24 HOURS OF INCUBATION AT 55 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 (1.94 Å)
Cite:Effect of temperature on the interaction of cisplatin with the model protein hen egg white lysozyme.
J.Biol.Inorg.Chem., 21, 2016
5FOU
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BU of 5fou by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH FHPA TETRAPEPTIDE
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHPA 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 (1.5 Å)
Cite:Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
5FU6
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BU of 5fu6 by Molmil
NOT module of the human CCR4-NOT complex (Crystallization mutant)
Descriptor: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 2, CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 3
Authors:Raisch, T, Bhandari, D, Sabath, K, Helms, S, Valkov, E, Weichenrieder, O, Izaurralde, E.
Deposit date:2016-01-21
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Distinct Modes of Recruitment of the Ccr4-not Complex by Drosophila and Vertebrate Nanos
Embo J., 35, 2016
5F7U
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BU of 5f7u by Molmil
Cycloalternan-forming enzyme from Listeria monocytogenes in complex with pentasaccharide substrate
Descriptor: Cycloalternan-forming enzyme, MAGNESIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Light, S.H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-08
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure to function of an alpha-glucan metabolic pathway that promotes Listeria monocytogenes pathogenesis.
Nat Microbiol, 2, 2016
5FF4
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BU of 5ff4 by Molmil
HydE from T. maritima in complex with (2R,4R)-TMeTDA
Descriptor: (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FB9
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BU of 5fb9 by Molmil
S1 nuclease from Aspergillus oryzae with unoccupied active site
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
5FBI
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BU of 5fbi by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b
Descriptor: 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid, Complement factor D, GLYCEROL
Authors:Ostermann, N, Zink, F.
Deposit date:2015-12-14
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FDB
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BU of 5fdb by Molmil
Iron free rat cysteine dioxygenase R60QC164R variant
Descriptor: Cysteine dioxygenase type 1
Authors:Fellner, M, Davies, C.G, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
Deposit date:2015-12-16
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Iron free rat cysteine dioxygenase R60QC164R variant
To be published
5FHW
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BU of 5fhw by Molmil
Hen Egg-White Lysozyme (HEWL) complexed with Hf(IV)-substituted Wells Dawson-type polyoxometalate
Descriptor: Dawson-type polyoxometalate, Lysozyme C, POTASSIUM ION
Authors:Vandebroek, L, De Zitter, E, Van Meervelt, L.
Deposit date:2015-12-22
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural Characterization of the Complex between Hen Egg- White Lysozyme and HfIV-Substituted Wells Dawson Polyoxometalate as Artificial Protease
To Be Published
5FI8
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BU of 5fi8 by Molmil
Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine)
Descriptor: 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Kokkonda, S, Tomchick, D, Phillips, M.
Deposit date:2015-12-22
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
5HFN
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BU of 5hfn by Molmil
Crystal structure of a loop truncation variant of Thermotoga maritima Acetyl Esterase TM0077 (apo structure) at 2.75 Angstrom resolution
Descriptor: Cephalosporin-C deacetylase
Authors:Manoj, N, Singh, M.K.
Deposit date:2016-01-07
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 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
5HJE
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BU of 5hje by Molmil
Crystal Structure of Transketolase complex with sedoheptulose-7-phoaphate from Pichia Stipitis
Descriptor: CALCIUM ION, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, THIAMINE DIPHOSPHATE, ...
Authors:Li, T.L, Hsu, L.J, Hsu, N.S.
Deposit date:2016-01-13
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and biochemical interrogation on transketolase from Pichia stipitis for new functionality
Protein Eng. Des. Sel., 2016
5HDF
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BU of 5hdf by Molmil
Hydrolase SeMet-StnA
Descriptor: Hydrolase
Authors:Qian, T.
Deposit date:2016-01-05
Release date:2017-01-11
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode
Sci Rep, 7, 2017
5HY0
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BU of 5hy0 by Molmil
orotic acid hydrolase
Descriptor: GLYCEROL, Ring-opening amidohydrolase
Authors:Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
5GHU
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BU of 5ghu by Molmil
Crystal structure of YadV chaperone at 1.63 Angstrom
Descriptor: ACETATE ION, CHLORIDE ION, FORMIC ACID, ...
Authors:Pandey, N.K, Bhavesh, N.S.
Deposit date:2016-06-20
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the usher chaperone YadV reveals a monomer with the proline lock in closed conformation suggestive of an intermediate state.
Febs Lett., 2020
5GNL
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BU of 5gnl by Molmil
Cytochrome P450 Vdh (CYP107BR1) F106V mutant
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D(3) 25-hydroxylase
Authors:Yasutake, Y, Tamura, T.
Deposit date:2016-07-22
Release date:2017-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the mechanism of the drastic changes in enzymatic activity of the cytochrome P450 vitamin D3 hydroxylase (CYP107BR1) caused by a mutation distant from the active site
Acta Crystallogr F Struct Biol Commun, 73, 2017

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