8PJO
 
 | | Cryo EM structure of the type 3D polymorph of alpha-synuclein E46K mutant at low pH. | | Descriptor: | Alpha-synuclein, CHLORIDE ION | | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | | Deposit date: | 2023-06-23 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation
Elife, 2023
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5AG3
 | | Chorismatase mechanisms reveal fundamentally different types of reaction in a single conserved protein fold | | Descriptor: | 3-(2-CARBOXYETHYL)BENZOIC ACID, DI(HYDROXYETHYL)ETHER, PUTATIVE PTERIDINE-DEPENDENT DIOXYGENASE, ... | | Authors: | Hubrich, F, Juneja, P, Mueller, M, Diederichs, K, Welte, W, Andexer, J.N. | | Deposit date: | 2015-01-28 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Chorismatase Mechanisms Reveal Fundamentally Different Types of Reaction in a Single Conserved Protein Fold.
J.Am.Chem.Soc., 137, 2015
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6NQ2
 | | Cryo-EM structure of human TPC2 channel in the ligand-bound closed state | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Two pore calcium channel protein 2 | | Authors: | She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2019-01-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
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8FDW
 | | Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2, ... | | Authors: | Zhang, J, Shi, W, Cai, Y.F, Zhu, H.S, Peng, H.Q, Voyer, J, Volloch, S.R, Cao, H, Mayer, M.L, Song, K.K, Xu, C, Lu, J.M, Chen, B. | | Deposit date: | 2022-12-05 | | Release date: | 2023-05-10 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane.
Nature, 619, 2023
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6NCI
 | | Crystal structure of CDP-Chase: Vector data collection | | Descriptor: | D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Miller, M.S, Shi, W, Gabelli, S.B. | | Deposit date: | 2018-12-11 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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6NCN
 | | Fragment-based Discovery of an apoE4 Stabilizer | | Descriptor: | 1-(3-chlorophenyl)cyclobutane-1-carboximidamide, Apolipoprotein E | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2018-12-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
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1H2C
 | | Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (High-resolution VP40[55-194] variant). | | Descriptor: | 5'-R(*UP*GP*AP)-3', MATRIX PROTEIN VP40 | | Authors: | Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W. | | Deposit date: | 2002-08-05 | | Release date: | 2003-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
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6NNG
 | | Tubulin-RB3_SLD-TTL in complex with compound DJ95 | | Descriptor: | 2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-01-15 | | Release date: | 2019-07-10 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Colchicine Binding Site Agent DJ95 Overcomes Drug Resistance and Exhibits Antitumor Efficacy.
Mol.Pharmacol., 96, 2019
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8FZC
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8PCQ
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 500 ms | | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | Deposit date: | 2023-06-11 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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5AC3
 | | Crystal structure of PAM12A | | Descriptor: | ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE | | Authors: | Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B. | | Deposit date: | 2015-08-11 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
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8PCU
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 5000 ms | | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | Deposit date: | 2023-06-11 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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8PCA
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 50 ms | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | Deposit date: | 2023-06-11 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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8PC9
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 0 ms - native. | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | Deposit date: | 2023-06-11 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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2YHV
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8TNW
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5KA1
 | | Protein Tyrosine Phosphatase 1B Delta helix 7 mutant in complex with TCS401, closed state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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8FY7
 | | SARS-CoV-2 main protease in complex with covalent inhibitor | | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | | Authors: | Fried, W, Chen, X.S. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
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8TW0
 | | Crystal Structure of a synthetic ABC heterotrimeric Collagen-like Peptide at 1.53 A | | Descriptor: | Collagen Mimetic Peptide A, Collagen Mimetic Peptide B, Collagen Mimetic Peptide C, ... | | Authors: | Miller, M.D, Cole, C.C, Xu, W, Walker, D.R, Hulgan, S.A.H, Pogostin, B.H, Swain, J.W.R, Duella, R, Misiura, M, Wang, X, Kolomeisky, A.B, Phillips Jr, G.N, Hartgerink, J.D. | | Deposit date: | 2023-08-18 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Heterotrimeric collagen helix with high specificity of assembly results in a rapid rate of folding.
Nat.Chem., 2024
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6NUD
 | | Small conformation of ssRNA-bound CRISPR_Csm complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cms protein Csm2, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), ... | | Authors: | Zhang, K, Pintilie, G, Li, S, Zhu, Y, Chiu, W, Huang, Z. | | Deposit date: | 2019-01-31 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Coupling of ssRNA cleavage with DNase activity in type III-A CRISPR-Csm revealed by cryo-EM and biochemistry.
Cell Res., 29, 2019
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8FY6
 | | SARS-CoV-2 main protease in complex with covalent inhibitor | | Descriptor: | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-N-{(2R)-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Fried, W, Chen, X.S. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-30 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
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5AAA
 | | Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | | Deposit date: | 2015-07-23 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
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2YJR
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6NG3
 | | Crystal structure of human CD160 and HVEM complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD160 antigen,Tumor necrosis factor receptor superfamily member 14, MAGNESIUM ION, ... | | Authors: | Liu, W, Bonanno, J, Almo, S.C. | | Deposit date: | 2018-12-21 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structural Basis of CD160:HVEM Recognition.
Structure, 27, 2019
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2YD1
 | | Crystal structure of the N-terminal Ig1-2 module of Drosophila Receptor Protein Tyrosine Phosphatase DLAR | | Descriptor: | GLYCINE, TYROSINE-PROTEIN PHOSPHATASE LAR | | Authors: | Coles, C.H, Shen, Y, Tenney, A.P, Siebold, C, Sutton, G.C, Lu, W, Gallagher, J.T, Jones, E.Y, Flanagan, J.G, Aricescu, A.R. | | Deposit date: | 2011-03-17 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Proteoglycan-Specific Molecular Switch for Rptp Sigma Clustering and Neuronal Extension.
Science, 332, 2011
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