8T0J
 
 | | Salmonella Typhimurium ArnD | | Descriptor: | Probable 4-deoxy-4-formamido-L-arabinose-phosphoundecaprenol deformylase ArnD | | Authors: | Sousa, M.C, Munoz-Escudero, D, Lee, M. | | Deposit date: | 2023-06-01 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structure and Function of ArnD. A Deformylase Essential for Lipid A Modification with 4-Amino-4-deoxy-l-arabinose and Polymyxin Resistance.
Biochemistry, 62, 2023
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6ZSM
 | | Crystal structure of rsGCaMP double mutant Ile80His/Val116Ile in the ON state (non-illuminated) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ... | | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | | Deposit date: | 2020-07-16 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
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6XBD
 | | Cryo-EM structure of MlaFEDB in nanodiscs with phospholipid substrates | | Descriptor: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, MSP1D1, Phospholipid ABC transporter permease protein MlaE, ... | | Authors: | Coudray, N, Isom, G.L, MacRae, M.R, Saiduddin, M, Ekiert, D.C, Bhabha, G. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structure of bacterial phospholipid transporter MlaFEDB with substrate bound.
Elife, 9, 2020
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5LTL
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7RZB
 | | BrxA from Staphylococcus aureus with bacillithiol mixed disulfide | | Descriptor: | (2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid, Bacillithiol system oxidoreductase, YphP/YqiW family, ... | | Authors: | Cook, P.D, McHugh, C.S. | | Deposit date: | 2021-08-27 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of BrxA from Staphylococcus aureus, a bacilliredoxin involved in redox homeostasis in Firmicutes.
Acta Crystallogr.,Sect.F, 78, 2022
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7ADX
 | | SFX structure of dehaloperoxidase B in the oxyferrous form | | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Moreno Chicano, T, Ebrahim, A, Worrall, J.W, Axford, D.A, Owada, S, Tosha, T, Sugimoto, H, Strange, R.W, Owen, R.L, Hough, M.A. | | Deposit date: | 2020-09-16 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | SFX structure of dehaloperoxidase B from Amphitrite ornata in the oxyferrous form
To Be Published
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5LUM
 | | Alpha-crystallin domain of human HSPB6 patched with its N-terminal peptide | | Descriptor: | Heat shock protein beta-6, SULFATE ION | | Authors: | Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V. | | Deposit date: | 2016-09-09 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator.
Structure, 25, 2017
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8G98
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4X9Z
 | | Dimeric conotoxin alphaD-GeXXA | | Descriptor: | alphaD-conotoxin GeXXA from the venom of Conus generalis | | Authors: | Xu, S, Zhang, T, Kompella, S, Adams, D, Ding, J, Wang, C. | | Deposit date: | 2014-12-12 | | Release date: | 2015-12-02 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Conotoxin alpha D-GeXXA utilizes a novel strategy to antagonize nicotinic acetylcholine receptors
Sci Rep, 5, 2015
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6X84
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5F0E
 | | Murine endoplasmic reticulum alpha-glucosidase II | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2015-11-27 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IH8
 | | MELK in complex with NVS-MELK1 | | Descriptor: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | | Authors: | Sprague, E.R, Puleo, D.E. | | Deposit date: | 2016-02-29 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
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6ALD
 | | RABBIT MUSCLE ALDOLASE A/FRUCTOSE-1,6-BISPHOSPHATE COMPLEX | | Descriptor: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-1,6-BIS(PHOSPHATE) ALDOLASE | | Authors: | Choi, K.H, Mazurkie, A.S, Morris, A.J, Utheza, D, Tolan, D.R, Allen, K.N. | | Deposit date: | 1998-12-23 | | Release date: | 2000-01-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a fructose-1,6-bis(phosphate) aldolase liganded to its natural substrate in a cleavage-defective mutant at 2.3 A(,).
Biochemistry, 38, 1999
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5LEV
 | | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) | | Descriptor: | UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND | | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-30 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
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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: | 2019-12-25 | | 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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7PER
 | | Model of the inner ring of the human nuclear pore complex | | Descriptor: | Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ... | | Authors: | Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U. | | Deposit date: | 2021-08-11 | | Release date: | 2021-10-20 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (35 Å) | | Cite: | The cellular environment shapes the nuclear pore complex architecture.
Nature, 598, 2021
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7NPX
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking | | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2021-02-28 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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7PKX
 | | Crystal structure of a DyP-type peroxidase from Bacillus subtilis in P3121 space group | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Borges, P.T, Rodrigues, C, Silva, D, Taborda, A, Brissos, V, Frazao, C, Martins, L.O. | | Deposit date: | 2021-08-27 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Loops around the Heme Pocket Have a Critical Role in the Function and Stability of Bs DyP from Bacillus subtilis .
Int J Mol Sci, 22, 2021
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6ANV
 | | Crystal structure of anti-CRISPR protein AcrF1 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yang, H, Patel, D.J. | | Deposit date: | 2017-08-14 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.265 Å) | | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex.
Cell, 171, 2017
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5BP4
 | | Modifying region (DH-ER-KR) of a mycocerosic acid synthase-like (MAS-like) PKS | | Descriptor: | Mycocerosic acid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Herbst, D.A, Jakob, P.R, Zaehringer, F, Maier, T. | | Deposit date: | 2015-05-27 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases.
Nature, 531, 2016
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6R90
 | | Cryo-EM structure of NCP-THF2(+1)-UV-DDB class A | | Descriptor: | DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ... | | Authors: | Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H. | | Deposit date: | 2019-04-02 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
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6AR9
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4XFR
 | | Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522 | | Descriptor: | CITRIC ACID, Uncharacterized protein | | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-12-28 | | Release date: | 2015-01-28 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6E6E
 | | DGY-06-116, a novel and selective covalent inhibitor of SRC kinase | | Descriptor: | N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Gurbani, D, Bera, A, Westover, K. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
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7PGL
 | | HHIP-N, the N-terminal domain of the Hedgehog-Interacting Protein (HHIP), apo-form | | Descriptor: | Hedgehog-interacting protein | | Authors: | Griffiths, S.C, Schwab, R.A, El Omari, K, Bishop, B, Iverson, E.J, Malinuskas, T, Dubey, R, Qian, M, Covey, D.F, Gilbert, R.J.C, Rohatgi, R, Siebold, C. | | Deposit date: | 2021-08-14 | | Release date: | 2021-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Hedgehog-Interacting Protein is a multimodal antagonist of Hedgehog signalling.
Nat Commun, 12, 2021
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