8SLU
 
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa) | | Descriptor: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | Deposit date: | 2023-04-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
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8SLT
 | | Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa) | | Descriptor: | SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | Deposit date: | 2023-04-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
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5L1X
 | | Structure of the Human Metapneumovirus Fusion Protein in the Postfusion Conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mas, V, Melero, J.A, McLellan, J.S. | | Deposit date: | 2016-07-29 | | Release date: | 2016-08-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Engineering, Structure and Immunogenicity of the Human Metapneumovirus F Protein in the Postfusion Conformation.
Plos Pathog., 12, 2016
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7M6P
 | | Full length alpha1 Glycine receptor in presence of 1mM Glycine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1 | | Authors: | Kumar, A, Chakrapani, S. | | Deposit date: | 2021-03-26 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
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5II3
 | | The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 3, a platin(II) compound containing a O, S bidentate ligand | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Ferraro, G, Merlino, A. | | Deposit date: | 2016-03-01 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
Dalton Trans, 45, 2016
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7S42
 | | Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-galactose | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ... | | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | | Deposit date: | 2021-09-08 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
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5L50
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6U01
 | | Dihydrodipicolinate synthase (DHDPS) from C.jejuni, N84D mutant with pyruvate bound in the active site | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ... | | Authors: | Saran, S, Majdi Yazdi, M, Lehnert, L, Palmer, D.R.J, Sanders, D.A.R. | | Deposit date: | 2019-08-13 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Asparagine-84, a regulatory allosteric site residue, helps maintain the quaternary structure of Campylobacter jejuni dihydrodipicolinate synthase.
J.Struct.Biol., 209, 2020
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5IIR
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8SLS
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa) | | Descriptor: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | Deposit date: | 2023-04-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
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5L6Q
 | | Refolded AL protein from cardiac amyloidosis | | Descriptor: | CARBONATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Annamalai, K, Liberta, F, Vielberg, M.-T, Lilie, H, Guehrs, K.-H, Schierhorn, A, Koehler, R, Schmidt, A, Haupt, C, Hegenbart, O, Schoenland, S, Groll, M, Faendrich, M. | | Deposit date: | 2016-05-31 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Common Fibril Structures Imply Systemically Conserved Protein Misfolding Pathways In Vivo.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6QOJ
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 13 (4-Hydroxyquinazoline) | | Descriptor: | 3,4-dihydroquinazolin-4-ol, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-12 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.023 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6E8E
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5L9T
 | | Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with E2 UBE2S poised for polyubiquitination where UBE2S, APC2, and APC11 are modeled into low resolution density | | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | | Authors: | Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A. | | Deposit date: | 2016-06-11 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
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4XDP
 | | Crystal structure of human KDM4C catalytic domain bound to tris | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Swinger, K.K, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-19 | | Release date: | 2015-03-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
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6EB6
 | | Crystal structure of BAX W139A monomer | | Descriptor: | Apoptosis regulator BAX, FORMIC ACID | | Authors: | Robin, A.Y. | | Deposit date: | 2018-08-05 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.023 Å) | | Cite: | BAX Activation: Mutations Near Its Proposed Non-canonical BH3 Binding Site Reveal Allosteric Changes Controlling Mitochondrial Association.
Cell Rep, 27, 2019
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5LF6
 | | Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom | | Descriptor: | CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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6QQS
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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5LI7
 | | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea | | Descriptor: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | | Authors: | Levy, C, Munro, A.W, Leys, D. | | Deposit date: | 2016-07-14 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
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6WWV
 | | KIF14[391-735] - ANP-PNP in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2020-05-09 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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8GF2
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies eCR3022.20 and CC12.3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, ... | | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | | Deposit date: | 2023-03-07 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.851 Å) | | Cite: | Broadening a SARS-CoV-1-neutralizing antibody for potent SARS-CoV-2 neutralization through directed evolution.
Sci.Signal., 16, 2023
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6QWH
 | | The Transcriptional Regulator PrfA-L140H mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | | Descriptor: | DNA (30-MER), GLYCEROL, Listeriolysin positive regulatory factor A | | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | | Deposit date: | 2019-03-05 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
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6LLE
 | | CryoEM structure of SERCA2b WT in E1-2Ca2+-AMPPCP state. | | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Zhang, Y, Tsutsumi, A, Watanabe, S, Inaba, K. | | Deposit date: | 2019-12-23 | | Release date: | 2020-08-26 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of SERCA2b reveal the mechanism of regulation by the luminal extension tail.
Sci Adv, 6, 2020
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6U8J
 | | Crystal structure of 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase/phospho-2-dehydro-3-deoxyheptonate aldolase (Aro3) from Candida auris | | Descriptor: | Phospho-2-dehydro-3-deoxyheptonate aldolase, UNKNOWN ATOM OR ION | | Authors: | Michalska, K, Evdokimova, E, Semper, C, Di Leo, R, Stogios, P.J, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-09-05 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.492 Å) | | Cite: | Crystal structure of 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase/phospho-2-dehydro-3-deoxyheptonate aldolase (Aro3) from
Candida auris
To Be Published
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8GHB
 | | The structure of h12-LOX in monomeric form | | Descriptor: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12 | | Authors: | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | Deposit date: | 2023-03-09 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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