8A12
 
 | | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2022-05-31 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
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6WDX
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8A5B
 | | Crystal structure of human cathepsin L in complex with covalently bound MG-101 | | Descriptor: | Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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1T60
 | | Crystal structure of Type IV collagen NC1 domain from bovine lens capsule | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Vanacore, R.M, Shanmugasundararaj, S, Friedman, D.B, Bondar, O, Hudson, B.G, Sundaramoorthy, M. | | Deposit date: | 2004-05-05 | | Release date: | 2004-09-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The alpha1.alpha2 network of collagen IV. Reinforced stabilization of the noncollagenous domain-1 by noncovalent forces and the absence of Met-Lys cross-links
J.Biol.Chem., 279, 2004
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5KXK
 | | Hen Egg White Lysozyme at 100K, Data set 1 | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2016-07-20 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.198 Å) | | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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2ID2
 | | GAPN T244S mutant X-ray structure at 2.5 A | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | | Authors: | Pailot, A, D'Ambrosio, K, Corbier, C, Talfournier, F, Branlant, G. | | Deposit date: | 2006-09-14 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Invariant Thr(244) is essential for the efficient acylation step of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase from Streptococcus mutans.
Biochem.J., 400, 2006
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7ZL8
 | | NME1 in complex with succinyl-CoA | | Descriptor: | Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A | | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | | Deposit date: | 2022-04-14 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
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7ZTK
 | | NME1 in complex with CoA | | Descriptor: | COENZYME A, Nucleoside diphosphate kinase A | | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | | Deposit date: | 2022-05-10 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
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2J79
 | | Beta-glucosidase from Thermotoga maritima in complex with galacto- hydroximolactam | | Descriptor: | (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | | Deposit date: | 2006-10-06 | | Release date: | 2006-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
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5KJB
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1TJV
 | | Crystal Structure of T161D Duck Delta 2 Crystallin Mutant | | Descriptor: | Delta crystallin II | | Authors: | Sampaleanu, L.M, Codding, P.W, Lobsanov, Y.D, Tsai, M, Smith, G.D, Horvatin, C, Howell, P.L. | | Deposit date: | 2004-06-07 | | Release date: | 2004-09-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies of duck delta2 crystallin mutants provide insight into the role of Thr161 and the 280s loop in catalysis
BIOCHEM.J., 384, 2004
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1TJU
 | | Crystal Structure of T161S Duck Delta 2 Crystallin Mutant | | Descriptor: | Delta crystallin II | | Authors: | Sampaleanu, L.M, Codding, P.W, Lobsanov, Y.D, Tsai, M, Smith, G.D, Horvatin, C, Howell, P.L. | | Deposit date: | 2004-06-07 | | Release date: | 2004-09-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural studies of duck delta2 crystallin mutants provide insight into the role of Thr161 and the 280s loop in catalysis
Biochem.J., 384, 2004
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1T13
 | | Crystal Structure Of Lumazine Synthase From Brucella Abortus Bound To 5-nitro-6-(D-ribitylamino)-2,4(1H,3H) pyrimidinedione | | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | | Authors: | Klinke, S, Zylberman, V, Vega, D.R, Guimaraes, B.G, Braden, B.C, Goldbaum, F.A. | | Deposit date: | 2004-04-15 | | Release date: | 2005-04-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystallographic studies on Decameric Brucella spp. Lumazine Synthase: A Novel Quaternary Arrangement Evolved for a New Function?
J.Mol.Biol., 353, 2005
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2IJQ
 | | Crystal structure of protein rrnAC1037 from Haloarcula marismortui, Pfam DUF309 | | Descriptor: | Hypothetical protein | | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-30 | | Release date: | 2006-10-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of the hypothetical Protein from Haloarcula marismortui
To be Published
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7ZRI
 | | Cryo-EM structure of the KdpFABC complex in a nucleotide-free E1 conformation loaded with K+ | | Descriptor: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C. | | Deposit date: | 2022-05-04 | | Release date: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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6PFW
 | | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, apo state | | Descriptor: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-22 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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4R5J
 | | Crystal structure of the DnaK C-terminus (Dnak-SBD-A) | | Descriptor: | CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION | | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | | Deposit date: | 2014-08-21 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.361 Å) | | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Acs Chem.Biol., 9, 2014
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2V8S
 | | VTI1B HABC DOMAIN - EPSINR ENTH DOMAIN COMPLEX | | Descriptor: | CLATHRIN INTERACTOR 1, GLYCEROL, VESICLE TRANSPORT THROUGH INTERACTION WITH T-SNARES HOMOLOG 1B | | Authors: | Owen, D.J, McCoy, A.J, Collins, B.M, Miller, S.E. | | Deposit date: | 2007-08-14 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | A Snare-Adaptor Interaction is a New Mode of Cargo Recognition in Clathrin Coated Vesicles
Nature, 450, 2007
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8A31
 | | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694 | | Descriptor: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | Authors: | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
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6PGV
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8A32
 | | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 | | Descriptor: | 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ... | | Authors: | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-06-06 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Acs Pharmacol Transl Sci, 5, 2022
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2VHZ
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6PHS
 | | Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-25 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.129 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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8I5E
 | | Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVGAGGVGK) | | Descriptor: | Beta-2-microglobulin, KRAS-G12wt-9, MHC class I antigen (Fragment) | | Authors: | Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
Nat Commun, 2023
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5D2W
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