5X08
 
 | | Crystal structure of broadly neutralizing anti-HIV-1 antibody 4E10, mutant Npro, with peptide bound | | Descriptor: | ACETATE ION, CHLORIDE ION, Envelope glycoprotein gp160, ... | | Authors: | Caaveiro, J.M.M, Rujas, E, Nieva, J.L, Tsumoto, K. | | Deposit date: | 2017-01-20 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Functional Contacts between MPER and the Anti-HIV-1 Broadly Neutralizing Antibody 4E10 Extend into the Core of the Membrane
J. Mol. Biol., 429, 2017
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1WCI
 | | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN, ... | | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | | Deposit date: | 2004-11-16 | | Release date: | 2006-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
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8ICD
 | | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION | | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | | Deposit date: | 1990-05-30 | | Release date: | 1991-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
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4UVR
 | | Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51 | | Descriptor: | Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-DEMETHYLASE, ... | | Authors: | Vieira, D.F, Choi, J.Y, Calvet, C.M, Gut, J, Kellar, D, Siqueira-Neto, J.L, Johnston, J.B, McKerrow, J.H, Roush, W.R, Podust, L.M. | | Deposit date: | 2014-08-08 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
J.Med.Chem., 57, 2014
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1FSS
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH FASCICULIN-II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, FASCICULIN II, ... | | Authors: | Harel, M, Kleywegt, G.J, Silman, I, Sussman, J.L. | | Deposit date: | 1995-10-25 | | Release date: | 1996-03-08 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of an acetylcholinesterase-fasciculin complex: interaction of a three-fingered toxin from snake venom with its target.
Structure, 3, 1995
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5FFM
 | | Yellow fever virus helicase | | Descriptor: | Serine protease NS3 | | Authors: | Smith, J.L. | | Deposit date: | 2015-12-18 | | Release date: | 2015-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the Flavivirus helicase: implications for catalytic activity, protein interactions, and proteolytic processing.
J. Virol., 79, 2005
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5OXI
 | | C-terminally retracted ubiquitin L67S mutant | | Descriptor: | SULFATE ION, Ubiquitin L67S mutant | | Authors: | Gladkova, C.G, Schubert, A.F, Wagstaff, J.L, Pruneda, J.N, Freund, S.M.V, Komander, D. | | Deposit date: | 2017-09-06 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | An invisible ubiquitin conformation is required for efficient phosphorylation by PINK1.
EMBO J., 36, 2017
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5J71
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35 | | Descriptor: | 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2016-04-05 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
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5JAV
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91D at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2016-04-12 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91D at cryogenic temperature
To be Published
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5OWP
 | | Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, ... | | Authors: | Bermejo, I.A, Albuquerque, I.S, Somovilla, V.J, Martinez-Saez, N, Castro-Lopez, J, Garcia-Martin, F, Hinou, H, Nishimura, S, Jimenez-Barbero, J, Asensio, J.L, Avenoza, A, Busto, J.H, Hurtado-Guerrero, R, Peregrina, J.M, Bernardes, G.J, Corzana, F. | | Deposit date: | 2017-09-02 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Use of Fluoroproline in MUC1 Antigen Enables Efficient Detection of Antibodies in Patients with Prostate Cancer.
J. Am. Chem. Soc., 139, 2017
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5OXH
 | | C-terminally retracted ubiquitin T66V/L67N mutant | | Descriptor: | SULFATE ION, Ubiquitin T66V/L67N mutant | | Authors: | Gladkova, C, Schubert, A.F, Wagstaff, J.L, Pruneda, J.P, Freund, S.M.V, Komander, D. | | Deposit date: | 2017-09-06 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | An invisible ubiquitin conformation is required for efficient phosphorylation by PINK1.
EMBO J., 36, 2017
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5FIJ
 | | Bovine mitochondrial ATP synthase state 2c | | Descriptor: | ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ... | | Authors: | Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L. | | Deposit date: | 2015-09-28 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
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8BTX
 | | Structure of human Archease | | Descriptor: | Protein archease | | Authors: | Kopp, J, Gerber, J.L, Peschek, J. | | Deposit date: | 2022-11-30 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease.
Nat Commun, 15, 2024
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8BTT
 | | Structure of human RTCB | | Descriptor: | MANGANESE (II) ION, RNA-splicing ligase RtcB homolog | | Authors: | Kopp, J, Gerber, J.L, Peschek, J. | | Deposit date: | 2022-11-30 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease.
Nat Commun, 15, 2024
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8BIK
 | | Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | | Descriptor: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M. | | Deposit date: | 2022-11-02 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
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8C9J
 | | Crystal structure of human NQO1 by serial femtosecond crystallography | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
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8HQN
 | | Activation mechanism of GPR132 by 9(S)-HODE | | Descriptor: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
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8HVI
 | | Activation mechanism of GPR132 by compound NOX-6-7 | | Descriptor: | 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | Deposit date: | 2022-12-26 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
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8HQM
 | | Activation mechanism of GPR132 by NPGLY | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
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1MSV
 | | The S68A S-adenosylmethionine decarboxylase proenzyme processing mutant. | | Descriptor: | 1,4-DIAMINOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-adenosylmethionine decarboxylase proenzyme | | Authors: | Tolbert, W.D, Zhang, Y, Bennett, E.M, Cottet, S.E, Ekstrom, J.L, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2002-09-19 | | Release date: | 2003-03-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Mechanism of Human S-Adenosylmethionine
Decarboxylase Proenzyme Processing as Revealed by the
Structure of the S68A Mutant.
Biochemistry, 42, 2003
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1WN4
 | | NMR Structure of VoNTR | | Descriptor: | VoNTR protein | | Authors: | Dutton, J.L, Renda, R.F, Waine, C, Clark, R.J, Daly, N.L, Jennings, C.V, Anderson, M.A, Craik, D.J. | | Deposit date: | 2004-07-27 | | Release date: | 2004-09-14 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Conserved structural and sequence elements implicated in the processing of gene-encoded circular proteins
J.Biol.Chem., 279, 2004
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1WNH
 | | Crystal structure of mouse Latexin (tissue carboxypeptidase inhibitor) | | Descriptor: | Latexin | | Authors: | Aagaard, A, Listwan, P, Cowieson, N, Huber, T, Ravasi, T, Wells, C.A, Flanagan, J.U, Hume, D.A, Kobe, B, Martin, J.L. | | Deposit date: | 2004-08-04 | | Release date: | 2005-02-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | An Inflammatory Role for the Mammalian Carboxypeptidase Inhibitor Latexin: Relationship to Cystatins and the Tumor Suppressor TIG1
Structure, 13, 2005
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1WVK
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5ZAP
 | | Atomic structure of the herpes simplex virus type 2 B-capsid | | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | | Authors: | Yuan, S, Wang, J.L, Zhu, D.J, Wang, N, Gao, Q, Chen, W.Y, Tang, H, Wang, J.Z, Zhang, X.Z, Liu, H.R, Rao, Z.H, Wang, X.X. | | Deposit date: | 2018-02-08 | | Release date: | 2018-04-18 | | Last modified: | 2018-09-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of a herpesvirus capsid at 3.1 angstrom.
Science, 360, 2018
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1FF1
 | | STRUCTURE OF THE SECOND EPS15 HOMOLOGY DOMAIN OF HUMAN EPS15 IN COMPLEX WITH PTGSSSTNPFL | | Descriptor: | CALCIUM ION, EPIDERMAL GROWTH FACTOR RECEPTOR SUBSTRATE 15, PTGSSSTNPFL PEPTIDE | | Authors: | De Beer, T, Hoofnagle, A.N, Enmon, J.L, Bowers, R.C, Yamabhai, M, Kay, B.K, Overduin, M. | | Deposit date: | 2000-07-24 | | Release date: | 2000-11-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Molecular mechanism of NPF recognition by EH domains.
Nat.Struct.Biol., 7, 2000
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