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5NO8
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BU of 5no8 by Molmil
Polysaccharide Lyase BACCELL_00875
Descriptor: BACCELL_00875, GLYCEROL
Authors:Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J.
Deposit date:2017-04-11
Release date:2017-06-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins.
J. Biol. Chem., 292, 2017
5N20
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BU of 5n20 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
Descriptor: B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5H89
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BU of 5h89 by Molmil
Crystal structure of mRojoA mutant - T16V - P63Y - W143G - L163V
Descriptor: mRojoA fluorescent protein
Authors:Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F.
Deposit date:2015-12-23
Release date:2016-01-27
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
5H88
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BU of 5h88 by Molmil
Crystal structure of mRojoA mutant - T16V -P63F - W143A - L163V
Descriptor: mRojoA fluorescent protein
Authors:Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F.
Deposit date:2015-12-23
Release date:2016-01-27
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
5HAR
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BU of 5har by Molmil
OXA-163 beta-lactamase - S70G mutant
Descriptor: ACETATE ION, Beta-lactamase, CHLORIDE ION
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5NPD
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BU of 5npd by Molmil
Crystal Structure of D412N nucleophile mutant cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with alpha Cyclophellitol Aziridine probe CF021
Descriptor: (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2017-04-16
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
4PM5
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BU of 4pm5 by Molmil
Crystal structure of CTX-M-14 S70G beta-lactamase in complex with cefotaxime at 1.26 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14, SULFATE ION
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.261 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
7RL3
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BU of 7rl3 by Molmil
Structure of Drosophila melanogaster Plk4 PB3
Descriptor: Serine/threonine-protein kinase PLK4
Authors:Slep, K.C, Slevin, L.K.
Deposit date:2021-07-23
Release date:2022-08-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Polo-like kinase 4 homodimerization and condensate formation regulate its own protein levels but are not required for centriole assembly.
Mol.Biol.Cell, 34, 2023
5ZGO
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BU of 5zgo by Molmil
Crystal structure of APRT2 from Thermus thermophilus HB8
Descriptor: Adenine phosphoribosyltransferase
Authors:Kunishima, N, Naitow, H, Matsuura, Y.
Deposit date:2018-03-09
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional characterization of thermostable biocatalysts for the synthesis of 6-aminopurine nucleoside-5'-monophospate analogues.
Bioresour. Technol., 276, 2019
3RMC
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BU of 3rmc by Molmil
Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol
Descriptor: DNA (5'-D(*CP*GP*TP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3'), DNA polymerase
Authors:Aller, P, Duclos, S, Wallace, S.S, Doublie, S.
Deposit date:2011-04-20
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex.
J.Mol.Biol., 412, 2011
5LRY
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BU of 5lry by Molmil
E coli [NiFe] Hydrogenase Hyd-1 mutant E28D
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A.
Deposit date:2016-08-22
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J.Am.Chem.Soc., 140, 2018
6VJ3
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BU of 6vj3 by Molmil
Carbonic Anhydrase II in complex with pyrimidine-based inhibitor
Descriptor: 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Lomelino, C.L, McKenna, R.
Deposit date:2020-01-14
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells.
Eur.J.Med.Chem., 190, 2020
4RW2
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BU of 4rw2 by Molmil
Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: refocused beam
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Foucar, L, Barends, T, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J.
Deposit date:2014-12-01
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization and use of the spent beam for serial operation of LCLS.
J.SYNCHROTRON RADIAT., 22, 2015
5HAI
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BU of 5hai by Molmil
P99 beta-lactamase mutant - S64G
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2015-12-30
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5O0S
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BU of 5o0s by Molmil
Crystal structure of txGH116 (beta-glucosidase from Thermoanaerobacterium xylolyticum) in complex with unreacted beta Cyclophellitol Cyclosulfate probe ME711
Descriptor: (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Wu, L, Offen, W.A, Breen, I.Z, Davies, G.J.
Deposit date:2017-05-16
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
3RMB
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BU of 3rmb by Molmil
Crystal Structure of a replicative DNA polymerase bound to DNA containing Thymine Glycol
Descriptor: DNA (5'-D(*CP*GP*CP*(CTG)P*GP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*CP*A)-3'), DNA polymerase, ...
Authors:Aller, P, Duclos, S, Wallace, S.S, Doublie, S.
Deposit date:2011-04-20
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A crystallographic study of the role of sequence context in thymine glycol bypass by a replicative DNA polymerase serendipitously sheds light on the exonuclease complex.
J.Mol.Biol., 412, 2011
4PM7
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BU of 4pm7 by Molmil
Crystal structure of CTX-M-14 S70G:S237A in complex with cefotaxime at 1.29 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
5O8H
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BU of 5o8h by Molmil
Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, F43H, H39Y
Descriptor: Alcohol dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Reddy Enugala, T, Widersten, M.
Deposit date:2017-06-13
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
5WOE
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BU of 5woe by Molmil
Solution structure of the sorting nexin 25 phox-homology domain
Descriptor: Sorting nexin-25
Authors:Chin, Y.K.Y, Mas, C, Mobli, M, Collins, B.M.
Deposit date:2017-08-01
Release date:2018-08-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
4PM9
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BU of 4pm9 by Molmil
Crystal structure of CTX-M-14 S70G:S237A:R276A beta-lactamase in complex with cefotaxime at 1.45 Angstroms resolution
Descriptor: (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase CTX-M-14
Authors:Cardenas, A.M, Adamski, C.J, Sankaran, B, Brown, N.G, Horton, L.B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
5H87
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BU of 5h87 by Molmil
Crystal structure of mRojoA mutant - P63H - W143S
Descriptor: mRojoA fluorescent protein
Authors:Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F.
Deposit date:2015-12-23
Release date:2016-01-27
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
4PM6
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BU of 4pm6 by Molmil
Crystal structure of CTX-M-14 S70G beta-lactamase at 1.56 Angstroms resolution
Descriptor: Beta-lactamase CTX-M-14, SULFATE ION
Authors:Adamski, C.J, Cardenas, A.M, Sankaran, B, Palzkill, T.
Deposit date:2014-05-20
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Molecular Basis for the Catalytic Specificity of the CTX-M Extended-Spectrum beta-Lactamases.
Biochemistry, 54, 2015
5O8Q
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BU of 5o8q by Molmil
Crystal structure of R. ruber ADH-A, mutant Y294F, W295A
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
Deposit date:2017-06-14
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
6X0Q
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BU of 6x0q by Molmil
A Circular Permutant of the Tobacco Mosaic Virus (TMV) mutant Q101H coordinated with heme
Descriptor: Capsid protein Circular Permutant, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dai, J, Knott, G.J, Francis, M.B.
Deposit date:2020-05-17
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein-Embedded Metalloporphyrin Arrays Templated by Circularly Permuted Tobacco Mosaic Virus Coat Proteins.
Acs Nano, 15, 2021
4QKR
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BU of 4qkr by Molmil
Crystal Structure of 6xTyr/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22Y/L44Y/L64Y/L85Y/L108Y/L132Y, Primitive Version 2)
Descriptor: DE NOVO PROTEIN 6XTYR/PV2, IMIDAZOLE
Authors:Longo, L.M, Blaber, M, Tenorio, C.A.
Deposit date:2014-06-09
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.746 Å)
Cite:A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding.
Protein Sci., 24, 2015

223790

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