8AP6
 
 | | Trypanosoma brucei mitochondrial F1Fo ATP synthase dimer | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | Authors: | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | Deposit date: | 2022-08-09 | | Release date: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
|
|
7FIV
 | | Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis) | | Descriptor: | CidA_I gamma/2 protein, CidB_I b/2 protein | | Authors: | Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T. | | Deposit date: | 2021-08-01 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
|
|
4R6S
 | | Crystal structure of PPARgammma in complex with SR1663 | | Descriptor: | 4'-[(2,3-dimethyl-5-{[(1R)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Marciano, D.P, Griffin, P.R, Bruning, J.B. | | Deposit date: | 2014-08-26 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Pharmacological repression of PPAR gamma promotes osteogenesis.
Nat Commun, 6, 2015
|
|
6HK3
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
|
|
6AS5
 | | CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A | | Descriptor: | ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2017-08-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.035 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
5LTW
 | | Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 | | Descriptor: | 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heat shock protein beta-6, ... | | Authors: | Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V. | | Deposit date: | 2016-09-07 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4.5 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
|
|
7K7T
 | | Crystal structure of human MORC4 ATPase-CW in complex with AMPPNP | | Descriptor: | Isoform 3 of MORC family CW-type zinc finger protein 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Klein, B.J, Tencer, A.H, Kutateladze, T.G. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Molecular mechanism of the MORC4 ATPase activation.
Nat Commun, 11, 2020
|
|
4QV2
 | |
5FWX
 | | Crystal structure of the AMPA receptor GluA2/A4 N-terminal domain heterodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMATE RECEPTOR 2, GLUTAMATE RECEPTOR 4, ... | | Authors: | Garcia-Nafria, J, Herguedas, B, Greger, I.H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Organization of Heteromeric Ampa-Type Glutamate Receptors.
Science, 352, 2016
|
|
7KC4
 | | Human WLS in complex with WNT8A | | Descriptor: | 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Nygaard, R, Jia, Y, Kim, J, Ross, D, Parisi, G, Clarke, O.B, Virshup, D.M, Mancia, F. | | Deposit date: | 2020-10-05 | | Release date: | 2021-01-06 | | Last modified: | 2021-01-20 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural Basis of WLS/Evi-Mediated Wnt Transport and Secretion.
Cell, 184, 2021
|
|
6AWY
 | | Structure of peanut allergen Ara h 8.01. | | Descriptor: | Ara h 8 allergen, SODIUM ION, SULFATE ION | | Authors: | Offermann, L.R, Yarbrough, J, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. | | Deposit date: | 2017-09-06 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of PR-10 Allergen Ara h 8.01.
To Be Published
|
|
6F7W
 | | Crystal structure of dimethylated RSL - cucurbit[7]uril complex, C2221 Form | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | | Authors: | Guagnini, F, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2017-12-12 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Cucurbit[7]uril-Dimethyllysine Recognition in a Model Protein.
Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
6AYM
 | | Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) | | Descriptor: | 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2017-09-08 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
|
|
6AYS
 | | Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hexylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2017-09-08 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
|
|
4RF0
 | | Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P6522) | | Descriptor: | 3-AMINOPROPANE, ORF1ab protein, SULFATE ION, ... | | Authors: | Bailey-Elkin, B.A, Johnson, G.G, Mark, B.L. | | Deposit date: | 2014-09-24 | | Release date: | 2014-10-22 | | Last modified: | 2015-01-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Middle East Respiratory Syndrome Coronavirus (MERS-CoV) Papain-like Protease Bound to Ubiquitin Facilitates Targeted Disruption of Deubiquitinating Activity to Demonstrate Its Role in Innate Immune Suppression.
J.Biol.Chem., 289, 2014
|
|
5FUD
 | | Oceanobacillus iheyensis macrodomain with MES bound | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, O-ACETYL-ADP-RIBOSE DEACETYLASE, ... | | Authors: | Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A. | | Deposit date: | 2016-01-25 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional analysis ofOceanobacillus iheyensismacrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
|
|
6HSK
 | | Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat | | Descriptor: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C. | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
|
|
7JX9
 | | The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid. | | Descriptor: | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ... | | Authors: | Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D. | | Deposit date: | 2020-08-26 | | Release date: | 2021-01-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ).
Acs Chem.Biol., 16, 2021
|
|
5MHK
 | | ICP4 DNA-binding domain in complex with 19mer DNA duplex from its own promoter | | Descriptor: | CHLORIDE ION, DNA (5'-D(*GP*CP*TP*CP*CP*GP*TP*GP*TP*GP*GP*AP*CP*GP*AP*TP*CP*GP*G)-3'), ICP4 DNA BINDING DOMAIN, ... | | Authors: | Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P. | | Deposit date: | 2016-11-24 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | The herpes viral transcription factor ICP4 forms a novel DNA recognition complex.
Nucleic Acids Res., 45, 2017
|
|
6F0D
 | | Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group P1 with cadmium ions | | Descriptor: | CADMIUM ION, VHH antibody BCD090-M2 | | Authors: | Eliseev, I.E, Yudenko, A.N, Vysochinskaya, V.V, Svirina, A.A, Evstratyeva, A.V, Drozhzhachih, M.S, Krendeleva, E.A, Vladimirova, A.K, Nemankin, T.A, Ekimova, V.M, Ulitin, A.B, Lomovskaya, M.I, Yakovlev, P.A, Moiseenko, F.V, Chakchir, O.B. | | Deposit date: | 2017-11-19 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.90000749 Å) | | Cite: | Crystal structures of a llama VHH antibody BCD090-M2 targeting human ErbB3 receptor.
F1000Res, 7, 2018
|
|
2VZO
 | | Crystal structure of Amycolatopsis orientalis exo-chitosanase CsxA | | Descriptor: | ACETATE ION, CADMIUM ION, EXO-BETA-D-GLUCOSAMINIDASE, ... | | Authors: | Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B. | | Deposit date: | 2008-08-05 | | Release date: | 2008-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
|
|
6T32
 | | Streptavidin variants harbouring an artificial organocatalyst based cofactor | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin | | Authors: | Lechner, H, Hocker, B. | | Deposit date: | 2019-10-10 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*.
Chembiochem, 22, 2021
|
|
6FA1
 | | Antibody derived (Abd-4) small molecule binding to KRAS. | | Descriptor: | 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | Deposit date: | 2017-12-15 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
|
|
5MBV
 | | Cryo-EM structure of Lambda Phage protein GamS bound to RecBCD. | | Descriptor: | Host-nuclease inhibitor protein gam, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ... | | Authors: | Wilkinson, M, Chaban, Y, Wigley, D.B. | | Deposit date: | 2016-11-08 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for the inhibition of RecBCD by Gam and its synergistic antibacterial effect with quinolones.
Elife, 5, 2016
|
|
5FNZ
 | |
