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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
8C2O
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BU of 8c2o by Molmil
Structure of E. coli AmiA
Descriptor: N-acetylmuramoyl-L-alanine amidase AmiA, ZINC ION
Authors:Baverstock, T.C, Crow, A.
Deposit date:2022-12-22
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Activator-induced conformational changes regulate division-associated peptidoglycan amidases.
Proc.Natl.Acad.Sci.USA, 120, 2023
7MZV
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BU of 7mzv by Molmil
Structure of yeast pseudouridine synthase 7 (PUS7)
Descriptor: Multisubstrate pseudouridine synthase 7, SULFATE ION
Authors:Purchal, M, Koutmos, M.
Deposit date:2021-05-24
Release date:2022-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Pseudouridine synthase 7 is an opportunistic enzyme that binds and modifies substrates with diverse sequences and structures.
Proc.Natl.Acad.Sci.USA, 119, 2022
8OZ8
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BU of 8oz8 by Molmil
Crystal Structure of an Hydroxynitrile lyase variant (H96A) from Granulicella tundricola
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, BROMIDE ION, ...
Authors:Bento, I, Coloma, J, Hagedoorn, P.-L, Hanefeld, U.
Deposit date:2023-05-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Can a Hydroxynitrile Lyase Catalyze an Oxidative Cleavage?
Acs Catalysis, 13, 2023
4ZVW
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BU of 4zvw by Molmil
Structure of apo human ALDH7A1 in space group C2
Descriptor: Alpha-aminoadipic semialdehyde dehydrogenase
Authors:Tanner, J.J.
Deposit date:2015-05-18
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Substrate Recognition by Aldehyde Dehydrogenase 7A1.
Biochemistry, 54, 2015
7VIO
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BU of 7vio by Molmil
Crystal structure of recombinant horse spleen apo-R168H/L169C-Fr
Descriptor: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
Authors:Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Wu, J, Ueno, T, Lu, D.
Deposit date:2021-09-27
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
8C3C
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BU of 8c3c by Molmil
14-3-3 sigma with Pin1 binding site pS72 and bound Fusicoccin A
Descriptor: 14-3-3 protein sigma, FUSICOCCIN, MAGNESIUM ION, ...
Authors:Verhoef, C.J, Cossar, P.
Deposit date:2022-12-23
Release date:2023-06-14
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tracking the mechanism of covalent molecular glue stabilization using native mass spectrometry.
Chem Sci, 14, 2023
6ORI
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BU of 6ori by Molmil
Enterococcal surface protein, partial N-terminal region
Descriptor: CALCIUM ION, EF0056
Authors:Spiegelman, L, Zhang, L, Tezcan, A, Ghosh, P.
Deposit date:2019-04-30
Release date:2020-05-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enterococcal surface protein, partial N-terminal region (CASP target)
To Be Published
6A9V
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BU of 6a9v by Molmil
Crystal structure of Icp55 from Saccharomyces cerevisiae (N-terminal 42 residues deletion)
Descriptor: GLYCINE, Intermediate cleaving peptidase 55, MANGANESE (II) ION, ...
Authors:Singh, R, Kumar, A, Goyal, V.D, Makde, R.D.
Deposit date:2018-07-16
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function.
FEBS Lett., 593, 2019
7RXY
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BU of 7rxy by Molmil
Hen egg-white lysozyme with ionic liquid ethylammonium nitrate 5 mol%
Descriptor: Lysozyme C, NITRATE ION
Authors:Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T.
Deposit date:2021-08-24
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
8OKJ
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BU of 8okj by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_12
Descriptor: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
Authors:Brynda, J, Rezacova, P.M, Kudova, E.
Deposit date:2023-03-28
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8C0J
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BU of 8c0j by Molmil
Structure of AmiB enzymatic domain bound to the EnvC LytM domain
Descriptor: Murein hydrolase activator EnvC, N-acetylmuramoyl-L-alanine amidase, PHOSPHATE ION, ...
Authors:Crow, A.
Deposit date:2022-12-17
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.381 Å)
Cite:Activator-induced conformational changes regulate division-associated peptidoglycan amidases.
Proc.Natl.Acad.Sci.USA, 120, 2023
6UFH
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BU of 6ufh by Molmil
Co-crystal structure of M. tuberculosis ileS T-box in complex with tRNA-3'-2'3'cyclic phosphate
Descriptor: MAGNESIUM ION, RNA (167-MER), RNA (77-MER)
Authors:Battaglia, R.A, Grigg, J.A, Ke, A.
Deposit date:2019-09-24
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural basis for tRNA decoding and aminoacylation sensing by T-box riboregulators.
Nat.Struct.Mol.Biol., 26, 2019
5ADF
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BU of 5adf by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
6UO5
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BU of 6uo5 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F mutant complexed with AR-42
Descriptor: 1,2-ETHANEDIOL, AR-42, Histone deacetylase 6, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-10-14
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.43934226 Å)
Cite:Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
7VU4
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BU of 7vu4 by Molmil
de novo design based on 1r26
Descriptor: de novo design protein
Authors:Zhang, L.
Deposit date:2021-11-01
Release date:2022-06-08
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7RYD
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BU of 7ryd by Molmil
Hen egg-white lysozyme with ionic liquid butylammonium nitrate 1 mol%
Descriptor: Lysozyme C, NITRATE ION
Authors:Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T.
Deposit date:2021-08-25
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
7RYK
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BU of 7ryk by Molmil
Hen egg-white lysozyme with ionic liquid ethanolammonium nitrate 1 mol%
Descriptor: Lysozyme C, NITRATE ION
Authors:Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T.
Deposit date:2021-08-25
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
7RZ0
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BU of 7rz0 by Molmil
Hen egg-white lysozyme with ionic liquid ethanolammonium formate 6.7 mol%
Descriptor: ETHANOLAMINE, FORMIC ACID, Lysozyme C
Authors:Han, Q, Darmanin, C, Drummond, C, Greaves, T.
Deposit date:2021-08-27
Release date:2023-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids.
J Colloid Interface Sci, 650, 2023
6A9U
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BU of 6a9u by Molmil
Crystal strcture of Icp55 from Saccharomyces cerevisiae bound to apstatin inhibitor
Descriptor: Intermediate cleaving peptidase 55, MANGANESE (II) ION, apstatin
Authors:Singh, R, Kumar, A, Goyal, V.D, Makde, R.D.
Deposit date:2018-07-16
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function.
FEBS Lett., 593, 2019
6TUM
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BU of 6tum by Molmil
Crystal structure of glutathione s-transferase PA1623 from Pseudomonas aeruginosa PACS2 complexed with tartrate
Descriptor: D(-)-TARTARIC ACID, Glutathione S-transferase, L(+)-TARTARIC ACID
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2020-01-07
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of glutathione s-transferase PA1623 from Pseudomonas aeruginosa PACS2 complexed with tartrate
To Be Published
7VIP
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BU of 7vip by Molmil
Crystal structure of Au(10EQ)-apo-R168H/L169C-rHLFr
Descriptor: CADMIUM ION, Ferritin light chain, GLYCEROL, ...
Authors:Lu, C, Peng, X, Maity, B, Ito, N, Abe, S, Ueno, T, Lu, D.
Deposit date:2021-09-27
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of a gold clustering site in an engineered apo-ferritin cage.
Commun Chem, 5, 2022
7VTB
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BU of 7vtb by Molmil
Partially closed conformation of talaropentaene synthase cyclase domain
Descriptor: NICKEL (II) ION, TvTS cyclase domain
Authors:Hui, T, Mori, T, Abe, I.
Deposit date:2021-10-28
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of non-squalene triterpenes.
Nature, 606, 2022
6TUO
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BU of 6tuo by Molmil
Crystal structure of Archaeoglobus fulgidus Argonaute protein with cognate DNA oligoduplex 5'-pATTGTACGTACAAT
Descriptor: 5'-D(*AP*TP*TP*GP*TP*AP*CP*GP*TP*AP*CP*AP*AP*TP)-3', BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Grazulis, S, Zaremba, M.
Deposit date:2020-01-07
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Archaeoglobus fulgidus Argonaute protein with cognate DNA oligoduplex 5'-pATTGTACGTACAAT
To be published
7SCT
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BU of 7sct by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL16
Descriptor: C-C motif chemokine 16, Evasin P1243
Authors:Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
Deposit date:2021-09-29
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023

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