6RP2
 
 | | Threonine to Cysteine (T225C) variant of E coli hydrogenase-1 | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Carr, S.B, Armstrong, F.A, Zhang, L. | | Deposit date: | 2019-05-13 | | Release date: | 2020-03-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Aerobic Photocatalytic H2Production by a [NiFe] Hydrogenase Engineered to Place a Silver Nanocluster in the Electron Relay.
J.Am.Chem.Soc., 142, 2020
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1A2Q
 | | SUBTILISIN BPN' MUTANT 7186 | | Descriptor: | ACETONE, CALCIUM ION, SUBTILISIN BPN' | | Authors: | Gilliland, G.L, Whitlow, M, Howard, A.J. | | Deposit date: | 1998-01-08 | | Release date: | 1998-04-29 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
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5L2T
 | | The X-ray co-crystal structure of human CDK6 and Ribociclib. | | Descriptor: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | | Deposit date: | 2016-08-02 | | Release date: | 2016-08-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
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5L9H
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 | | Descriptor: | 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2016-06-10 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
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5LMJ
 | | Llama nanobody PorM_19 | | Descriptor: | PHOSPHATE ION, nanobody | | Authors: | Leone, P, Cambillau, C, Roussel, A. | | Deposit date: | 2016-08-01 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5LGE
 | | Crystal Structure of human IDH1 mutant (R132H) in complex with NADP+ and an Inhibitor related to BAY 1436032 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(4-propan-2-ylphenyl)amino]-1-[(1~{S},5~{S})-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid, ACETATE ION, ... | | Authors: | Hillig, R.C, Hars, U, Korndoerfer, I.P. | | Deposit date: | 2016-07-07 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pan-mutant IDH1 inhibitor BAY 1436032 for effective treatment of IDH1 mutant astrocytoma in vivo.
Acta Neuropathol., 133, 2017
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5LN8
 | | Crystal structure of self-complemented MyfA, the major subunit of Myf fimbriae from Yersinia enterocolitica, in complex with galactose | | Descriptor: | Fimbrial protein MyfA,Fimbrial protein MyfA, beta-D-galactopyranose | | Authors: | Pakharukova, N.A, Roy, S, Rahman, M.M, Tuitilla, M, Zavialov, A.V. | | Deposit date: | 2016-08-03 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues.
Mol.Microbiol., 102, 2016
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5LND
 | | Crystal structure of self-complemented MyfA, the major subunit of Myf fimbriae from Yersinia enterocolitica | | Descriptor: | Fimbrial protein MyfA,Fimbrial protein MyfA,Fimbrial protein MyfA | | Authors: | Pakharukova, N.A, Roy, S, Tuitilla, M, Zavialov, A.V. | | Deposit date: | 2016-08-04 | | Release date: | 2016-08-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structural basis for Myf and Psa fimbriae-mediated tropism of pathogenic strains of Yersinia for host tissues.
Mol.Microbiol., 102, 2016
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5M2W
 | | Structure of nanobody nb18 raised against TssK from E. coli T6SS | | Descriptor: | Llama nanobody nb8 against TssK from T6SS, SULFATE ION | | Authors: | Cambillau, C, Nguyen, V.S, Spinelli, S, Desmyter, A. | | Deposit date: | 2016-10-13 | | Release date: | 2017-06-28 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex.
Nat Microbiol, 2, 2017
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5M4S
 | | Transcription factor TFIIA as a single chain protein | | Descriptor: | Transcription initiation factor IIA subunit 2,Transcription initiation factor IIA subunit 1,Transcription initiation factor IIA subunit 1 | | Authors: | Kandiah, E, Gupta, K. | | Deposit date: | 2016-10-19 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Architecture of TAF11/TAF13/TBP complex suggests novel regulation properties of general transcription factor TFIID.
Elife, 6, 2017
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5M6Q
 | | Crystal Structure of Kutzneria albida transglutaminase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Steffen, W, Benz, J, Rudolph, M.G. | | Deposit date: | 2016-10-25 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins.
J. Biol. Chem., 292, 2017
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5MAT
 | | Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor | | Descriptor: | (7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, HEXAETHYLENE GLYCOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Moniot, S, Steegborn, C. | | Deposit date: | 2016-11-04 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.069 Å) | | Cite: | Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
J. Med. Chem., 60, 2017
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5MBV
 | | Cryo-EM structure of Lambda Phage protein GamS bound to RecBCD. | | Descriptor: | Host-nuclease inhibitor protein gam, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ... | | Authors: | Wilkinson, M, Chaban, Y, Wigley, D.B. | | Deposit date: | 2016-11-08 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for the inhibition of RecBCD by Gam and its synergistic antibacterial effect with quinolones.
Elife, 5, 2016
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5MEN
 | | Human Leukocyte Antigen A02 presenting ILAKFLHWL, in complex with cognate T-Cell Receptor | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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5MI8
 | | Structure of the phosphomimetic mutant of EF-Tu T383E | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A. | | Deposit date: | 2016-11-27 | | Release date: | 2017-12-20 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
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5MEP
 | | Human Leukocyte Antigen A02 presenting ILGKFLHWL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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5MIR
 | | Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (120 min) | | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P. | | Deposit date: | 2016-11-29 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage.
Sci Rep, 7, 2017
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5MND
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5MIS
 | | Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (180 min) | | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P. | | Deposit date: | 2016-11-29 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage.
Sci Rep, 7, 2017
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5MEO
 | | Human Leukocyte Antigen presenting ILGKFLHRL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.772 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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5MY5
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5M8C
 | | Spliceosome component | | Descriptor: | Pre-mRNA-processing factor 19 | | Authors: | Moura, T.R, Pena, V. | | Deposit date: | 2016-10-28 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Prp19/Pso4 Is an Autoinhibited Ubiquitin Ligase Activated by Stepwise Assembly of Three Splicing Factors.
Mol. Cell, 69, 2018
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5MRI
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2016-12-23 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
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5MES
 | | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | | Descriptor: | (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Hargreaves, D. | | Deposit date: | 2016-11-16 | | Release date: | 2017-01-18 | | Last modified: | 2017-03-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
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5MIT
 | | Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (240 min) | | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Skjoldager, N, Bang, M.B, Svensson, B, Hagglund, P, Harris, P. | | Deposit date: | 2016-11-29 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of Lactococcus lactis thioredoxin reductase reveals molecular features of photo-oxidative damage.
Sci Rep, 7, 2017
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