5EP0
 
 | | Quorum-Sensing Signal Integrator LuxO - Receiver+Catalytic Domains | | Descriptor: | 1,2-ETHANEDIOL, Putative repressor protein luxO, SULFATE ION | | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | | Deposit date: | 2015-11-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
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1B6I
 | | T4 LYSOZYME MUTANT WITH CYS 54 REPLACED BY THR, CYS 97 REPLACED BY ALA, THR 21 REPLACED BY CYS AND LYS 124 REPLACED BY CYS (C54T,C97A,T21C,K124C) | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, PROTEIN (LYSOZYME) | | Authors: | Vetter, I.R, Baase, W.A, Snow, S, Matthews, B.W. | | Deposit date: | 1999-01-14 | | Release date: | 2000-01-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Solid-state synthesis and mechanical unfolding of polymers of T4 lysozyme.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1B8D
 | | CRYSTAL STRUCTURE OF A PHYCOUROBILIN-CONTAINING PHYCOERYTHRIN | | Descriptor: | PHYCOERYTHROBILIN, PHYCOUROBILIN, PROTEIN (RHODOPHYTAN PHYCOERYTHRIN (ALPHA CHAIN)), ... | | Authors: | Ritter, S, Hiller, R.G, Wrench, P.M, Welte, W, Diederichs, K. | | Deposit date: | 1999-01-29 | | Release date: | 1999-02-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a phycourobilin-containing phycoerythrin at 1.90-A resolution.
J.Struct.Biol., 126, 1999
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3I0W
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6CMJ
 | | Human CAMKK2 with GSK650393 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Williams, S.P, Reid, R.A, Price, D.J, Drewry, D.H. | | Deposit date: | 2018-03-05 | | Release date: | 2018-04-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model.
Bioorg. Med. Chem. Lett., 28, 2018
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1MK4
 | | Structure of Protein of Unknown Function YqjY from Bacillus subtilis, Probable Acetyltransferase | | Descriptor: | Hypothetical protein yqjY | | Authors: | Zhang, R, Dementiva, I, Mo, A, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-08-28 | | Release date: | 2003-04-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.7A crystal structure of a hypothetical protein yqjY
from Bacillus subtilis
To be Published
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3REV
 | | Crystal structure of human alloreactive tcr nb20 | | Descriptor: | 1,2-ETHANEDIOL, TCR NB20 ALPHA CHAIN, TCR NB20 BETA CHAIN | | Authors: | Wood, A, Mohammed, F, Salim, M, Tranter, A, Rickinson, A.B, Moss, P.A.H, Stauss, H.J, Steven, N.M, Willcox, B.E. | | Deposit date: | 2011-04-05 | | Release date: | 2012-01-18 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and energetic evidence for highly peptide-specific tumor antigen targeting via allo-MHC restriction.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5BN2
 | | Room Temperature Structure of Pichia pastoris aquaporin at 1.3 A | | Descriptor: | AQY1 protein, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Fischer, G, Kosinska Eriksson, U, Hedfalk, K, Neutze, R. | | Deposit date: | 2015-05-25 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Room Temperature Structure of Pichia pastoris aquaporin at 1.3 A
To Be Published
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1BFO
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3KMI
 | | Crystal structure of putative membrane protein from Clostridium difficile 630 | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Putative membrane protein COG4129 | | Authors: | Chang, C, Rakowski, E, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-11-10 | | Release date: | 2009-11-17 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of putative membrane protein from Clostridium difficile 630
To be Published
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3ORJ
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4AYL
 | | Molecular structure of a metal-independent bacterial glycosyltransferase that catalyzes the synthesis of histo-blood group A antigen | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BOGT-METAL-INDEPENDENT GLYCOSYLTRANSFERASE, CALCIUM ION, ... | | Authors: | Thiyagarajan, N, Pham, T.T.K, Stinsonb, B, Sundriyala, A, Tumbale, P, Lizotte-Waniewskib, M, Brewb, K, Acharya, K.R. | | Deposit date: | 2012-06-21 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.919 Å) | | Cite: | Structure of a Metal-Independent Bacterial Glycosyltransferase that Catalyzes the Synthesis of Histo-Blood Group a Antigen
Sci.Rep., 2, 2012
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4LN7
 | | 5,6-bis(4-fluorophenyl)-3-hydroxy-2,5-dihydropyridin-2-one bound to influenza 2009 pH1N1 endonuclease | | Descriptor: | 1,2-ETHANEDIOL, 5,6-bis(4-fluorophenyl)pyridine-2,3-diol, MAGNESIUM ION, ... | | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | | Deposit date: | 2013-07-11 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
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6MG5
 | | Structure of full-length human lambda-6A light chain JTO in complex with coumarin 1 | | Descriptor: | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Light chain JTO, PHOSPHATE ION | | Authors: | Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W. | | Deposit date: | 2018-09-12 | | Release date: | 2019-04-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stabilization of amyloidogenic immunoglobulin light chains by small molecules.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3QW1
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6PGO
 | | Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor | | Descriptor: | 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mohr, C. | | Deposit date: | 2019-06-24 | | Release date: | 2019-12-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
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8F9G
 | | HIV Env germline targeting BG505_MD64_N332-GT5 SOSIP in complex with V3-glycan polyclonal Fab isolated from immunized BG18HCgl knock-in mice | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505_MD64_N332-GT5 gp120, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2022-11-23 | | Release date: | 2024-05-15 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
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5BPZ
 | | Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain | | Descriptor: | 1,2-ETHANEDIOL, Anapc5 protein | | Authors: | Cronin, N, Yang, J, Zhang, Z, Barford, D. | | Deposit date: | 2015-05-28 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
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7T6I
 | | Crystal structure of HLA-DP1 in complex with pp65 peptide in reverse orientation | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | | Authors: | Lim, J.J, Reid, H, Rossjohn, J. | | Deposit date: | 2021-12-13 | | Release date: | 2022-12-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human T cells recognize HLA-DP-bound peptides in two orientations.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8IOS
 | | Structure of the SARS-CoV-2 XBB.1 spike glycoprotein (closed-1 state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T. | | Deposit date: | 2023-03-13 | | Release date: | 2023-05-24 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants.
Nat Commun, 14, 2023
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5F0F
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 15 at 1.76A resolution | | Descriptor: | 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile, HTH-type transcriptional regulator EthR, SULFATE ION | | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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4XGI
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5XEY
 | | Discovery and structural analysis of a phloretin hydrolase from the opportunistic pathogen Mycobacterium abscessus | | Descriptor: | 1-[2,4,6-tris(oxidanyl)phenyl]ethanone, phloretin hydrolase | | Authors: | He, Y.X, Han, J.T, Jia, W.J, Zhang, Z. | | Deposit date: | 2017-04-06 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery and structural analysis of a phloretin hydrolase from the opportunistic human pathogen Mycobacterium abscessus.
FEBS J., 2019
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7SU4
 | | Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase, ... | | Authors: | Bourne, C.R. | | Deposit date: | 2021-11-16 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin
To Be Published
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6G6U
 | | The dynamic nature of the VDAC1 channels in bilayers: human VDAC1 at 2.7 Angstrom resolution | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, NITRATE ION, Voltage-dependent anion-selective channel protein 1 | | Authors: | Razeto, A, Gribbon, P, Loew, C. | | Deposit date: | 2018-04-03 | | Release date: | 2019-04-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | The dynamic nature of the VDAC1 channels in bilayers as revealed by two crystal structures of the human isoform in bicelles at 2.7 and 3.3 Angstrom resolution: implications for VDAC1 voltage-dependent mechanism and for its oligomerization
To Be Published
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