8BTL
 
 | | Crystal structure of a complex between the E2 conjugating enzyme UBE2A and the E3 ligase module from UBR4 | | Descriptor: | Ubiquitin conjugating enzyme E2 A, ZINC ION, cDNA FLJ12511 fis, ... | | Authors: | Virdee, S, Mabbitt, P.D, Barnsby-Greer, L. | | Deposit date: | 2022-11-29 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | UBE2A and UBE2B are recruited by an atypical E3 ligase module in UBR4.
Nat.Struct.Mol.Biol., 31, 2024
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1MU8
 | | thrombin-hirugen_l-378,650 | | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | | Deposit date: | 2002-09-23 | | Release date: | 2004-04-06 | | Last modified: | 2021-07-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
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8VKO
 | | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | | Deposit date: | 2024-01-09 | | Release date: | 2024-02-14 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition
To Be Published
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1MWA
 | | 2C/H-2KBM3/DEV8 ALLOGENEIC COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2C T CELL RECEPTOR ALPHA CHAIN, ... | | Authors: | Luz, J.G, Huang, M.D, Garcia, K.C, Rudolph, M.G, Teyton, L, Wilson, I.A. | | Deposit date: | 2002-09-27 | | Release date: | 2002-11-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility
complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially
increasing V(beta) Interactions.
J.EXP.MED., 195, 2002
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8VKN
 | | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (focused refinement of RBD and mouse ACE2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | | Deposit date: | 2024-01-09 | | Release date: | 2024-02-14 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition
To Be Published
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1DDP
 | | Solution structure of a CISPLATIN-INDUCED [CATAGCTATG]2 Interstrand cross-link | | Descriptor: | Cisplatin, DNA (5'-D(*CP*AP*TP*AP*GP*CP*TP*AP*TP*G)-3') | | Authors: | Zhu, L, Huang, H, Reid, B.R, Drobny, G.P, Hopkins, P.B. | | Deposit date: | 1995-10-26 | | Release date: | 1996-03-08 | | Last modified: | 2024-03-13 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a cisplatin-induced DNA interstrand cross-link.
Science, 270, 1995
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8VKL
 | | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | | Deposit date: | 2024-01-09 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition
To Be Published
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4CPV
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1MZO
 | | Crystal structure of pyruvate formate-lyase with pyruvate | | Descriptor: | PYRUVIC ACID, Pyruvate formate-lyase, TRIETHYLENE GLYCOL | | Authors: | Lehtio, L, Leppanen, V.-M, Kozarich, J.W, Goldman, A. | | Deposit date: | 2002-10-09 | | Release date: | 2002-12-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of Escherichia coli pyruvate formate-lyase with pyruvate.
Acta Crystallogr.,Sect.D, 58, 2002
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1E25
 | | The high resolution structure of PER-1 class A beta-lactamase | | Descriptor: | EXTENDED-SPECTRUM BETA-LACTAMASE PER-1, SULFATE ION | | Authors: | Tranier, S, Bouthors, A.T, Maveyraud, L, Guillet, V, Sougakoff, W, Samama, J.P. | | Deposit date: | 2000-05-17 | | Release date: | 2000-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The High Resolution Crystal Structure for Class a Beta-Lactamase Per-1 Reveals the Bases for its Increase in Breadth of Activity
J.Biol.Chem., 275, 2000
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1N17
 | | Structure and Dynamics of Thioguanine-modified Duplex DNA | | Descriptor: | 5'-D(*GP*CP*TP*AP*AP*GP*(S6G)P*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3' | | Authors: | Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W. | | Deposit date: | 2002-10-16 | | Release date: | 2002-10-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of thioguanine-modified duplex DNA
J.Biol.Chem., 278, 2003
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5NR2
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5Z9J
 | | Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like enzyme, TRIS(HYDROXYETHYL)AMINOMETHANE | | Authors: | Lu, M, Lin, L, Zhang, C, Chen, Y. | | Deposit date: | 2018-02-03 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Riboflavin Is Directly Involved in the N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases.
Chembiochem, 2020
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5Z1F
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4CSS
 | | Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside | | Descriptor: | 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH | | Authors: | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | | Deposit date: | 2014-03-10 | | Release date: | 2015-02-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.069 Å) | | Cite: | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
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5ZAM
 | | Cryo-EM structure of human Dicer and its complexes with a pre-miRNA substrate | | Descriptor: | Endoribonuclease Dicer, RISC-loading complex subunit TARBP2, RNA (73-mer) | | Authors: | Liu, Z, Wang, J, Cheng, H, Ke, X, Sun, L, Zhang, Q.C, Wang, H.-W. | | Deposit date: | 2018-02-07 | | Release date: | 2018-05-09 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Cryo-EM Structure of Human Dicer and Its Complexes with a Pre-miRNA Substrate.
Cell, 173, 2018
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5ZBA
 | | Crystal structure of Rtt109-Asf1-H3-H4-CoA complex | | Descriptor: | COENZYME A, DNA damage response protein Rtt109, putative, ... | | Authors: | Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M. | | Deposit date: | 2018-02-10 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109.
Cell, 174, 2018
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8BVA
 | | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_114-126 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, L(+)-TARTARIC ACID, POTASSIUM ION, ... | | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2022-12-02 | | Release date: | 2023-12-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_114-126
To Be Published
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8SSG
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8SE9
 | | Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 2) | | Descriptor: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | | Authors: | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | | Deposit date: | 2023-04-08 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
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8SVB
 | | Antimicrobial lasso peptide achromonodin-1 | | Descriptor: | Achromonodin-1 | | Authors: | Carson, D.V, Cheung-Lee, W.L, So, L, Link, A.J. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Discovery, Characterization, and Bioactivity of the Achromonodins: Lasso Peptides Encoded by Achromobacter .
J.Nat.Prod., 86, 2023
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4CPQ
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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6G44
 | | Crystal structure of mavirus major capsid protein lacking the C-terminal domain | | Descriptor: | GLYCEROL, Putative major capsid protein, SULFATE ION | | Authors: | Born, D, Reuter, L, Meinhart, A, Reinstein, J. | | Deposit date: | 2018-03-26 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Capsid protein structure, self-assembly, and processing reveal morphogenesis of the marine virophage mavirus.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1MWZ
 | | Solution structure of the N-terminal domain of ZntA in the Zn(II)-form | | Descriptor: | ZINC ION, ZntA | | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Finney, L.A, Outten, C.E, O'Halloran, T.V. | | Deposit date: | 2002-10-01 | | Release date: | 2002-11-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A new zinc-protein coordination site in intracellular metal trafficking: solution structure of the apo and Zn(II) forms of ZntA (46-118)
J.Mol.Biol., 323, 2002
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8W9W
 | | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide/phosphoethanolamine | | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1, ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide | | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | | Deposit date: | 2023-09-06 | | Release date: | 2024-02-28 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 31, 2024
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