6EFK
 
 | | Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated HSP70 peptide | | Descriptor: | ACE-ILE-GLU-GLU-VAL-ASP, E3 ubiquitin-protein ligase CHIP, SODIUM ION | | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | | Deposit date: | 2018-08-16 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
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6EFV
 | | The NADPH-dependent sulfite reductase flavoprotein adopts an extended conformation that is unique to this diflavin reductase | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Tavolieri, A.M, Askenasy, I, Murray, D.T, Pennington, J.M, Stroupe, M.E. | | Deposit date: | 2018-08-17 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.341 Å) | | Cite: | NADPH-dependent sulfite reductase flavoprotein adopts an extended conformation unique to this diflavin reductase.
J. Struct. Biol., 205, 2019
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8DY7
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7CHT
 | | Crystal structure of TTK kinase domain in complex with compound 30 | | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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4INU
 | | Yeast 20S proteasome in complex with the vinyl sulfone LU112 | | Descriptor: | N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | | Deposit date: | 2013-01-06 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
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8E2K
 | | Cryo-EM structure of BIRC6/HtrA2-S306A | | Descriptor: | Baculoviral IAP repeat-containing protein 6, Serine protease HTRA2, mitochondrial | | Authors: | Hunkeler, M, Fischer, E.S. | | Deposit date: | 2022-08-15 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structures of BIRC6-client complexes provide a mechanism of SMAC-mediated release of caspases.
Science, 379, 2023
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7PAE
 | | The crystal structure of Deltarasin in complex with PDE6D | | Descriptor: | ACETIC ACID, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, deltarasin | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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5CI2
 | | Ribonucleotide reductase Y122 2,3,6-F3Y variant | | Descriptor: | MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1 subunit beta, SULFATE ION | | Authors: | Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-07-10 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
J.Am.Chem.Soc., 138, 2016
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8DY9
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2N27
 | | Competitive inhibition of TRPV1 calmodulin interaction by vanilloids | | Descriptor: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, CALCIUM ION, Calmodulin | | Authors: | Hetenyi, A, Nemeth, L, Weber, E, Szakonyi, G, Winter, Z, Josvay, K, Bartus, E, Olah, Z, Martinek, T.A. | | Deposit date: | 2015-04-29 | | Release date: | 2016-07-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Competitive inhibition of TRPV1-calmodulin interaction by vanilloids.
Febs Lett., 590, 2016
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4QA3
 | | Crystal structure of T311M HDAC8 in complex with Trichostatin A (TSA) | | Descriptor: | GLYCEROL, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | | Deposit date: | 2014-05-02 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.876 Å) | | Cite: | Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
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7PAC
 | | The crystal structure of PDE6D in the apo state | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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3G4U
 | | Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and dichloropropane bound to the XE4 cavity | | Descriptor: | 1,3-dichloropropane, CARBON MONOXIDE, GLOBIN-1, ... | | Authors: | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | | Deposit date: | 2009-02-04 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009
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6EBD
 | | OhrB (Organic Hydroperoxide Resistance protein) mutant (C60A) from Chromobacterium violaceum, interacting with dihydrolipoamide | | Descriptor: | (6S)-6,8-disulfanyloctanamide, CHLORIDE ION, Organic hydroperoxide resistance protein | | Authors: | Domingos, R.M, Teixeira, R.D, Alegria, T.G.P, Vieira, P.S, Murakami, M.T, Netto, L.E.S. | | Deposit date: | 2018-08-06 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Substrate and product-assisted catalysis: molecular aspects behind structural switches along Organic Hydroperoxide Resistance Protein catalytic cycle
Acs Catalysis, 2020
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6EBV
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-N7-Pan | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, Type II pantothenate kinase | | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H, Park, H. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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5FGF
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5C59
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6ED0
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6EQW
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6EDT
 | | Mycobacterium tuberculosis RNAP open promoter complex with RbpA/CarD and AP3 promoter | | Descriptor: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | | Deposit date: | 2018-08-10 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY | | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
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6ER4
 | | Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,6 sialyllactose | | Descriptor: | BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | | Deposit date: | 2017-10-16 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus.
Nat Commun, 8, 2017
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1LUG
 | | Full Matrix Error Analysis of Carbonic Anhydrase | | Descriptor: | (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, Carbonic Anhydrase II, GLYCEROL, ... | | Authors: | Merritt, E.A, Le Trong, I, Behnke, C.A. | | Deposit date: | 2002-05-22 | | Release date: | 2003-09-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Atomic resolution studies of carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 66, 2010
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8ED0
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4IPY
 | | HIV capsid C-terminal domain | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein p24 | | Authors: | Lampel, A, Yaniv, O, Berger, O, Bachrach, E, Gazit, E, Frolow, F. | | Deposit date: | 2013-01-10 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A triclinic crystal structure of the carboxy-terminal domain of HIV-1 capsid protein with four molecules in the asymmetric unit reveals a novel packing interface.
Acta Crystallogr.,Sect.F, 69, 2013
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1GYD
 | | Structure of Cellvibrio cellulosa alpha-L-arabinanase | | Descriptor: | ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A | | Authors: | Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2002-04-23 | | Release date: | 2002-08-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cellvibrio japonicus alpha-L-arabinanase 43A has a novel five-blade beta-propeller fold.
Nat. Struct. Biol., 9, 2002
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