8YLB
 
 | | Cocrystal structures of agonists compound 1 with HsClpP | | Descriptor: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Zhao, N, Zhu, Y, Bao, R. | | Deposit date: | 2024-03-06 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.
J.Med.Chem., 67, 2024
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6Q05
 | | MERS-CoV S structure in complex with sialyl-lewisX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2019-08-01 | | Release date: | 2019-12-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
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6CEA
 | | Crystal structure of fragment 3-(quinolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(quinolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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6CEE
 | | Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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5L2O
 | | Crystal Structure of ALDH1A1 in complex with BUC22 | | Descriptor: | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | | Authors: | Buchman, C.D, Hurley, T.D. | | Deposit date: | 2016-08-02 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.
J. Med. Chem., 60, 2017
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6CGR
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6FTI
 | | Cryo-EM Structure of the Mammalian Oligosaccharyltransferase Bound to Sec61 and the Programmed 80S Ribosome | | Descriptor: | 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Braunger, K, Becker, T, Beckmann, R. | | Deposit date: | 2018-02-22 | | Release date: | 2018-03-21 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis for coupling protein transport and N-glycosylation at the mammalian endoplasmic reticulum.
Science, 360, 2018
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5L5P
 | | Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 17 | | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{R})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2016-05-28 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
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5L5D
 | | Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with ONX 0914 | | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2016-05-28 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
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6Q4P
 | | Fusidic acid bound AcrB_N298A | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, ... | | Authors: | Tam, H.K, Pos, K.M. | | Deposit date: | 2018-12-06 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
J.Mol.Biol., 432, 2020
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2J59
 | | Crystal structure of the ARF1:ARHGAP21-ArfBD complex | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ADP-RIBOSYLATION FACTOR 1, ... | | Authors: | Menetrey, J, Perderiset, M, Cicolari, J, Dubois, T, El Khatib, N, El Khadali, F, Franco, M, Chavrier, P, Houdusse, A. | | Deposit date: | 2006-09-13 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Arf1-Mediated Recruitment of Arhgap21 to Golgi Membranes.
Embo J., 26, 2007
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5L64
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5L6S
 | | Crystal structure of E. coli ADP-glucose pyrophosphorylase (AGPase) in complex with a positive allosteric regulator beta-fructose-1,6-diphosphate (FBP) - AGPase*FBP | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase, SULFATE ION | | Authors: | Cifuente, J.O, Albesa-Jove, D, Comino, N, Madariaga-Marcos, J, Agirre, J, Lopez-Fernandez, S, Garcia-Alija, M, Guerin, M.E. | | Deposit date: | 2016-05-31 | | Release date: | 2016-09-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structural Basis of Glycogen Biosynthesis Regulation in Bacteria.
Structure, 24, 2016
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6YBH
 | | Deoxyribonucleoside Kinase | | Descriptor: | Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ... | | Authors: | Allouche-Arnon, H, Bar-Shir, A, Dym, O. | | Deposit date: | 2020-03-17 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression.
Nat.Biotechnol., 40, 2022
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5L5X
 | | Yeast 20S proteasome with human beta5c (1-138) and human beta6 (97-111; 118-133) in complex with ONX 0914 | | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2016-05-28 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
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6BY1
 | | E. coli pH03H9 complex | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Amiri, H, Noller, H.F. | | Deposit date: | 2017-12-19 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.94 Å) | | Cite: | Structural evidence for product stabilization by the ribosomal mRNA helicase.
Rna, 25, 2019
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6FOG
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6QC4
 | | Ovine respiratory supercomplex I+III2 open class 3 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein, Cytochrome b, ... | | Authors: | Letts, J.A, Sazanov, L.A. | | Deposit date: | 2018-12-26 | | Release date: | 2019-08-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
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6Q6N
 | | Crystal structure of recombinant human beta-glucocerebrosidase in complex with biphenyl-cyclophellitol inhibitor (ME655) | | Descriptor: | (1~{S},3~{S},4~{R},6~{R})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2018-12-11 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
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6FPC
 | | Structure of the PRO-PRO endopeptidase (PPEP-2) from Paenibacillus alvei | | Descriptor: | CADMIUM ION, PRO-PRO endopeptidase, SULFATE ION, ... | | Authors: | Weeks, S.D, Klychnikov, O.I, Hensbergen, P.J, Strelkov, S.V. | | Deposit date: | 2018-02-09 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a new Pro-Pro endopeptidase, PPEP-2, provides mechanistic insights into the differences in substrate specificity within the PPEP family.
J. Biol. Chem., 293, 2018
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6C4C
 | | Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with glyoxylate and pyruvate | | Descriptor: | 3-NITROPROPANOIC ACID, GLYOXYLIC ACID, Isocitrate lyase 1, ... | | Authors: | Kreitler, D.F, Ray, S, Murkin, A.S, Gulick, A.M. | | Deposit date: | 2018-01-11 | | Release date: | 2018-06-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition.
ACS Chem. Biol., 13, 2018
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5L89
 | | Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A | | Descriptor: | CALCIUM ION, Rru_A0973 | | Authors: | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | | Deposit date: | 2016-06-07 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
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6Q8X
 | | Respiratory complex I from Thermus thermophilus with bound Pyridaben. | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2018-12-16 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.508 Å) | | Cite: | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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6FW3
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-007 | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2018-03-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | hPDE4D2 structure with inhibitor NPD-007
To be published
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5KN1
 | | Recombinant bovine skeletal calsequestrin, high-Ca2+ form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Lewis, K.M, Byrd, S, Kang, C. | | Deposit date: | 2016-06-27 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle.
Int J Mol Sci, 17, 2016
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