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8SF7
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BU of 8sf7 by Molmil
48-nm doublet microtubule from Tetrahymena thermophila strain MEC17
Descriptor: CFAM166A, CFAM166B, CFAM166C, ...
Authors:Black, C.S, Kubo, S, Yang, S.K, Bui, K.H.
Deposit date:2023-04-10
Release date:2024-05-22
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Effect of alpha-tubulin acetylation on the doublet microtubule structure.
Elife, 12, 2024
7B31
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BU of 7b31 by Molmil
MST3 in complex with compound MRIA9
Descriptor: 1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
7RNG
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BU of 7rng by Molmil
Crystal structure of caspase-3 with inhibitor Ac-ITAKD-CHO
Descriptor: Ac-ITAKD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-06-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
8QM1
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BU of 8qm1 by Molmil
wild type Pa.FabF in complex cerulenin
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-09-21
Release date:2024-01-10
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Eur.J.Med.Chem., 291, 2025
7RNA
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BU of 7rna by Molmil
Crystal structure of caspase-3 with inhibitor Ac-ITV(Dab)D-CHO
Descriptor: Ac-ITV(Dab)D-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:McCue, W, Finzel, B.C.
Deposit date:2021-07-29
Release date:2022-06-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
5MFR
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BU of 5mfr by Molmil
The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-5,7,8,9-tetrahydrobenzocyclohepten-6-one
Descriptor: Aminopeptidase N, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Peng, G, Olieric, V, McEwen, A.G, Schmitt, C, Albrecht, S, Cavarelli, J, Tarnus, C.
Deposit date:2016-11-18
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Insight into the remarkable affinity and selectivity of the aminobenzosuberone scaffold for the M1 aminopeptidases family based on structure analysis.
Proteins, 85, 2017
7AHL
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BU of 7ahl by Molmil
ALPHA-HEMOLYSIN FROM STAPHYLOCOCCUS AUREUS
Descriptor: ALPHA-HEMOLYSIN
Authors:Song, L, Hobaugh, M, Shustak, C, Cheley, S, Bayley, H, Gouaux, J.E.
Deposit date:1996-12-02
Release date:1998-01-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure of staphylococcal alpha-hemolysin, a heptameric transmembrane pore.
Science, 274, 1996
5MGN
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BU of 5mgn by Molmil
Human Sirt6 in complex with activator UBCS38
Descriptor: (4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:Steegborn, C, You, W, Kambach, C.
Deposit date:2016-11-21
Release date:2016-12-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
7RX0
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BU of 7rx0 by Molmil
Complex of AMPPNP-Kif7 and Gli2 Zinc-Finger domain bound to microtubules
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF7, MAGNESIUM ION, ...
Authors:Mani, N, Wilson-Kubalek, E.M, Haque, F, Freniere, C, Milligan, R.A, Subramanian, R.
Deposit date:2021-08-20
Release date:2022-06-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Cytoskeletal regulation of a transcription factor by DNA mimicry via coiled-coil interactions.
Nat.Cell Biol., 24, 2022
4QY1
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BU of 4qy1 by Molmil
Structure of H10 from human-infecting H10N8 in complex with avian receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F.
Deposit date:2014-07-23
Release date:2015-01-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus
Nat Commun, 6, 2015
4QUR
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BU of 4qur by Molmil
Crystal Structure of stachydrine demethylase in complex with cyanide, oxygen, and N-methyl proline in a new orientation
Descriptor: 1-methyl-L-proline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ...
Authors:Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M.
Deposit date:2014-07-11
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Tracking photoelectron induced in-crystallo enzyme catalysis
To be Published
7S7B
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BU of 7s7b by Molmil
Human Nuclear exosome targeting (NEXT) complex homodimer bound to RNA (substrate 1)
Descriptor: Exosome RNA helicase MTR4, RNA (46-MER), RNA-binding protein 7, ...
Authors:Puno, M.R, Lima, C.D.
Deposit date:2021-09-15
Release date:2022-06-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.06 Å)
Cite:Structural basis for RNA surveillance by the human nuclear exosome targeting (NEXT) complex.
Cell, 185, 2022
7PHR
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BU of 7phr by Molmil
Structure of a fully assembled T-cell receptor engaging a tumor-associated peptide-MHC I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Susac, L, Thomas, C, Tampe, R.
Deposit date:2021-08-18
Release date:2022-08-31
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structure of a fully assembled tumor-specific T cell receptor ligated by pMHC.
Cell, 185, 2022
7S7C
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BU of 7s7c by Molmil
Human Nuclear Exosome Targeting (NEXT) complex bound to RNA (substrate 2)
Descriptor: Exosome RNA helicase MTR4, RNA (30-MER), RNA-binding protein 7, ...
Authors:Puno, M.R, Lima, C.D.
Deposit date:2021-09-15
Release date:2022-06-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis for RNA surveillance by the human nuclear exosome targeting (NEXT) complex.
Cell, 185, 2022
7PK0
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BU of 7pk0 by Molmil
Bovine Glycine N-Acyltransferase complexed with Benzoyl-CoA
Descriptor: ACETATE ION, Glycine N-acyltransferase, benzoyl coenzyme A
Authors:Opperman, D.J, Ebrecht, A.C, Read, R.J.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of glycine N-acyltransferase clarifies its catalytic mechanism
To Be Published
4QX5
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BU of 4qx5 by Molmil
Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1
Authors:Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C.
Deposit date:2014-07-18
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.318 Å)
Cite:Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design.
Biochemistry, 53, 2014
1FRM
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BU of 1frm by Molmil
AZOTOBACTER VINELANDII FERREDOXIN I: ALTERATION OF INDIVIDUAL SURFACE CHARGES AND THE [4FE-4S] CLUSTER REDUCTION POTENTIAL
Descriptor: FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER
Authors:Stout, C.D.
Deposit date:1993-09-27
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Azotobacter vinelandii ferredoxin I. Alteration of individual surface charges and the [4FE-4S]2+/+ cluster reduction potential.
J.Biol.Chem., 269, 1994
7PKA
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BU of 7pka by Molmil
Synechocystis sp. PCC6803 glutathione transferase Chi 1, GSOH bound
Descriptor: Glutathione S-transferase, POTASSIUM ION, S-Hydroxy-Glutathione
Authors:Didierjean, C, Mocchetti, E, Hecker, A, Favier, F.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure and functions of glutathione transferase Chi 1 from cyanobacterium Synechocystis sp. PCC 6803
To Be Published
7ASG
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BU of 7asg by Molmil
TGFBIp mutant R555W
Descriptor: Transforming growth factor-beta-induced protein ig-h3
Authors:Nielsen, N.S, Gadeberg, T.A.F, Andersen, G.R.
Deposit date:2020-10-27
Release date:2020-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutation-induced dimerization of transforming growth factor-beta-induced protein may drive protein aggregation in granular corneal dystrophy.
J.Biol.Chem., 297, 2021
7E39
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BU of 7e39 by Molmil
SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7PK2
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BU of 7pk2 by Molmil
Bovine Glycine N-Acyltransferase
Descriptor: Glycine N-acyltransferase, MALONATE ION
Authors:Opperman, D.J, Ebrecht, A.C, Read, R.J.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of glycine N-acyltransferase clarifies its catalytic mechanism
To Be Published
7RVI
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BU of 7rvi by Molmil
Segment from naked mole rat (elk T174S) prion protein 168-176 QYNNQNSFV
Descriptor: CACODYLATE ION, Major prion protein, SODIUM ION
Authors:Glynn, C, Rodriguez, J.A, Hernandez, E.
Deposit date:2021-08-18
Release date:2022-08-24
Last modified:2024-05-22
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Structural and Biophysical Consequences of Sequence Variation in the B2a2 Loop of Mammalian Prions
To be published
7E3B
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BU of 7e3b by Molmil
SARS-Cov-2 spike in complex with the Ab5 neutralizing antibody (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab5, Light Chain of Ab5, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3C
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BU of 7e3c by Molmil
SARS-CoV-2 spike in complex with the Ab1 neutralizing antibody (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Ab1, Light chain of Ab1, ...
Authors:Liu, C.
Deposit date:2021-02-08
Release date:2021-09-01
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7EBM
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BU of 7ebm by Molmil
W363A mutant of Chitin-specific solute binding protein from Vibrio harveyi in complex with chitobiose.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Kitaoku, Y, Ubonbal, P, Tran, L.T, Robinson, R.C, Suginta, W.
Deposit date:2021-03-10
Release date:2021-09-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural model for (GlcNAc) 2 translocation via a periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria.
J.Biol.Chem., 297, 2021

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