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PDB: 89035 results

5NIE
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BU of 5nie by Molmil
Crystal structure of human LTA4H mutant R563A in open conformation
Descriptor: Leukotriene A-4 hydrolase, ZINC ION
Authors:Stsiapanava, A.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6OAU
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BU of 6oau by Molmil
Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in GnTI-deficient HEK293-F cells
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glycosylphosphatidylinositol-anchored high density lipoprotein-binding protein 1, ...
Authors:Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J.
Deposit date:2019-03-18
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QSL
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BU of 6qsl by Molmil
mTFP* closed conformation: I197C-Y200H-Y204H mutant for enhanced metal binding
Descriptor: GFP-like fluorescent chromoprotein cFP484
Authors:Fischer, J, Renn, D, Arold, T.A, Groll, M.
Deposit date:2019-02-21
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Robust and Versatile Host Protein for the Design and Evaluation of Artificial Metal Centers
Acs Catalysis, 2019
6VV9
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BU of 6vv9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300
Descriptor: 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
Deposit date:2020-02-17
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
7UP6
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BU of 7up6 by Molmil
Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal)
Descriptor: (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5
Authors:Yano, J.K, Abendroth, J, Hall, A.
Deposit date:2022-04-14
Release date:2022-08-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UZY
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BU of 7uzy by Molmil
Staphylococcus epidermidis RP62A CRISPR effector complex with non-self target RNA 2
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ...
Authors:Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A.
Deposit date:2022-05-09
Release date:2022-07-06
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Structures of an active type III-A CRISPR effector complex.
Structure, 30, 2022
7V02
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BU of 7v02 by Molmil
Staphylococcus epidermidis RP62A CRISPR short effector complex
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ...
Authors:Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A.
Deposit date:2022-05-09
Release date:2022-07-06
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (4.97 Å)
Cite:Structures of an active type III-A CRISPR effector complex.
Structure, 30, 2022
7UZZ
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BU of 7uzz by Molmil
Staphylococcus epidermidis RP62a CRISPR tall effector complex
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ...
Authors:Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A.
Deposit date:2022-05-09
Release date:2022-07-06
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (4.45 Å)
Cite:Structures of an active type III-A CRISPR effector complex.
Structure, 30, 2022
7CID
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BU of 7cid by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
6MX9
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BU of 6mx9 by Molmil
Lysozyme bound to 3-Aminophenol
Descriptor: 1,2-ETHANEDIOL, 3-aminophenol, BENZAMIDINE, ...
Authors:Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S.
Deposit date:2018-10-30
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements
To Be Published
7UZW
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BU of 7uzw by Molmil
Staphylococcus epidermidis RP62a CRISPR effector subcomplex
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm4, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), ...
Authors:Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A.
Deposit date:2022-05-09
Release date:2022-07-06
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Structures of an active type III-A CRISPR effector complex.
Structure, 30, 2022
8QN1
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BU of 8qn1 by Molmil
OPR3 variant - R283D
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE
Authors:Bijelic, A, Macheroux, P, Kerschbaumer, B.
Deposit date:2023-09-25
Release date:2024-08-14
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Analysis of homodimer formation in 12-oxophytodienoate reductase 3 in solutio and crystallo challenges the physiological role of the dimer.
Sci Rep, 14, 2024
6MTE
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BU of 6mte by Molmil
Rabbit 80S ribosome with eEF2 and SERBP1 (rotated state)
Descriptor: 18S rRNA, 28S rRNA, 5.8S rRNA, ...
Authors:Brown, A, Baird, M.R, Yip, M.C.J, Murray, J, Shao, S.
Deposit date:2018-10-19
Release date:2018-11-21
Last modified:2019-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of translationally inactive mammalian ribosomes.
Elife, 7, 2018
7UZX
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BU of 7uzx by Molmil
Staphylococcus epidermidis RP62a CRISPR effector subcomplex with non-self target RNA bound
Descriptor: CRISPR non-self RNA target, CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm4, ...
Authors:Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A.
Deposit date:2022-05-09
Release date:2022-07-06
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structures of an active type III-A CRISPR effector complex.
Structure, 30, 2022
6QP2
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BU of 6qp2 by Molmil
Crystal structure of the PLP-bound C-S lyase from Staphylococcus hominis
Descriptor: Aminotransferase, PYRIDOXAL-5'-PHOSPHATE, Polyhistidine tag
Authors:Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H.
Deposit date:2019-02-13
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
8EA8
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BU of 8ea8 by Molmil
NKG2D complexed with inhibitor 4a
Descriptor: DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ...
Authors:Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
Deposit date:2022-08-28
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
6MYQ
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BU of 6myq by Molmil
Avian mitochondrial complex II with ferulenol bound
Descriptor: (~{Z})-2-oxidanylbut-2-enedioic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ...
Authors:Berry, E.A, Huang, L.-S.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
5NOF
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BU of 5nof by Molmil
Anthranilate phosphoribosyltransferase from Thermococcus kodakaraensis
Descriptor: Anthranilate phosphoribosyltransferase, CHLORIDE ION, SODIUM ION, ...
Authors:Perveen, S, Rashid, N, Papageorgiou, A.C.
Deposit date:2017-04-12
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Anthranilate phosphoribosyltransferase from the hyperthermophilic archaeon Thermococcus kodakarensis shows maximum activity with zinc and forms a unique dimeric structure.
FEBS Open Bio, 7, 2017
6VZS
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BU of 6vzs by Molmil
Engineered TTLL6 mutant bound to gamma-elongation analog
Descriptor: (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A.
Deposit date:2020-02-28
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
7UMV
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BU of 7umv by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, ACETATE ION, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-04-07
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
5NPJ
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BU of 5npj by Molmil
Structure of the Hepatitis C virus strain JFH1 glycoprotein E2 antigenic region 532-540 bound to the single chain variable fragment of the non-neutralizing antibody DAO5
Descriptor: Epitope peptide, Single chain variable fragment of the non-neutralizing antibody DAO5
Authors:Vasiliauskaite, I, Rey, F.A, Krey, T.
Deposit date:2017-04-16
Release date:2017-05-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational Flexibility in the Immunoglobulin-Like Domain of the Hepatitis C Virus Glycoprotein E2.
MBio, 8, 2017
6RZ8
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BU of 6rz8 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, Cysteinyl leukotriene receptor 2,Soluble cytochrome b562,Cysteinyl leukotriene receptor 2, ...
Authors:Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
5NQ3
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BU of 5nq3 by Molmil
'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-PHE-GLU-ASP-LEU-THR-PHE-LEU-ALA, ...
Authors:Rizkallah, P.J, Tungatt, K, Sewell, A.K.
Deposit date:2017-04-19
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
8VVM
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BU of 8vvm by Molmil
Structure of FabS1CE1-EPR1-1 in complex with the erythropoietin receptor
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S.
Deposit date:2024-01-31
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
8EA7
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BU of 8ea7 by Molmil
NKG2D complexed with inhibitor 3g
Descriptor: (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, DI(HYDROXYETHYL)ETHER, NKG2-D type II integral membrane protein
Authors:Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
Deposit date:2022-08-28
Release date:2023-05-03
Last modified:2023-05-10
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023

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