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5J6V
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BU of 5j6v by Molmil
NMR structures of hylin-a1 analogs: Hylin-D
Descriptor: Hylin-D
Authors:Crusca Jr, E, Matos, C.O, Liao, L.M, Oliveira, A.L.
Deposit date:2016-04-05
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and molecular dynamics simulation of hylin-a1 peptide analogs interacting with micelles.
J. Pept. Sci., 23, 2017
5J6W
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BU of 5j6w by Molmil
NMR structures of hylin-a1 analogs: Hylin-K
Descriptor: Hylin-K
Authors:Crusca Jr, E, Matos, C.O, Liao, L.M, Oliveira, A.L.
Deposit date:2016-04-05
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and molecular dynamics simulation of hylin-a1 peptide analogs interacting with micelles.
J. Pept. Sci., 23, 2017
7F5Q
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BU of 7f5q by Molmil
The crystal structure of VyPAL2 peptide asparaginyl ligase in its active enzyme form
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, S, Sahili, A, Lescar, J.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase.
Plant Cell, 34, 2022
3S69
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BU of 3s69 by Molmil
Crystal structure of saxthrombin
Descriptor: CALCIUM ION, Thrombin-like enzyme defibrase
Authors:Huang, K, Zhao, W, Teng, M, Niu, L.
Deposit date:2011-05-25
Release date:2012-05-23
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure of saxthrombin, a thrombin-like enzyme from Gloydius saxatilis.
Acta Crystallogr.,Sect.F, 67, 2011
5JQH
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BU of 5jqh by Molmil
Structure of beta2 adrenoceptor bound to carazolol and inactive-state stabilizing nanobody, Nb60
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, Endolysin,Beta-2 adrenergic receptor, ...
Authors:Staus, D.P, Strachan, R.T, Manglik, A, Pani, B, Kahsai, A.W, Kim, T.H, Wingler, L.M, Ahn, S, Chatterjee, A, Masoudi, A, Kruse, A.C, Pardon, E, Steyaert, J, Weis, W.I, Prosser, R.S, Kobilka, B.K, Costa, T, Lefkowitz, R.J.
Deposit date:2016-05-05
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Allosteric nanobodies reveal the dynamic range and diverse mechanisms of G-protein-coupled receptor activation.
Nature, 535, 2016
5MEC
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BU of 5mec by Molmil
Crystal structure of yeast Cdt1 middle domain (residues 294-433)
Descriptor: Cell division cycle protein CDT1
Authors:Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
Deposit date:2016-11-14
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
7FC6
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BU of 7fc6 by Molmil
Crystal structure of SARS-CoV RBD and horse 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, ...
Authors:Wang, X.Q, Lan, J, Ge, J.W.
Deposit date:2021-07-13
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
7FCF
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BU of 7fcf by Molmil
Crystal structure of T6SS Hcp protein
Descriptor: Fimbrial protein
Authors:Jobichen, C, Sivaraman, J.
Deposit date:2021-07-14
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Bacterial antagonism of Chromobacterium haemolyticum and characterization of its putative type VI secretion system.
Res.Microbiol., 173, 2022
5JRG
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BU of 5jrg by Molmil
Crystal structure of the nucleosome containing the DNA with tetrahydrofuran (THF)
Descriptor: CHLORIDE ION, DNA (145-MER), Histone H2A type 1-B/E, ...
Authors:Osakabe, A, Arimura, Y, Horikoshi, N, Kurumizaka, H.
Deposit date:2016-05-06
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Polymorphism of apyrimidinic DNA structures in the nucleosome
Sci Rep, 7, 2017
5M6D
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BU of 5m6d by Molmil
Streptococcus pneumoniae Glyceraldehyde-3-Phosphate Dehydrogenase (SpGAPDH) crystal structure
Descriptor: ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Gaboriaud, C, Moreau, C.P, Di Guilmi, A.M.
Deposit date:2016-10-25
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deciphering Key Residues Involved in the Virulence-promoting Interactions between Streptococcus pneumoniae and Human Plasminogen.
J. Biol. Chem., 292, 2017
5KII
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BU of 5kii by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y88PHE-METHYL
Descriptor: 2-HYDROXYETHYL DISULFIDE, Endolysin, PHOSPHATE ION
Authors:Scholfield, M.R.
Deposit date:2016-06-16
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
7F02
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BU of 7f02 by Molmil
Cytochrome c-type biogenesis protein CcmABCD from E. coli
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
Authors:Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P.
Deposit date:2021-06-03
Release date:2022-11-09
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
7F03
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BU of 7f03 by Molmil
Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with ANP
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
Authors:Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P.
Deposit date:2021-06-03
Release date:2022-11-09
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
3TEW
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BU of 3tew by Molmil
Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to 1.45-A resolution
Descriptor: 2-METHOXYETHANOL, CALCIUM ION, Protective antigen
Authors:Feld, G.K, Krantz, B.A.
Deposit date:2011-08-15
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Domain flexibility modulates the heterogeneous assembly mechanism of anthrax toxin protective antigen.
J.Mol.Biol., 415, 2012
7FIK
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BU of 7fik by Molmil
The cryo-EM structure of the CR subunit from X. laevis NPC
Descriptor: MGC154553 protein, MGC83295 protein, MGC83926 protein, ...
Authors:Shi, Y, Huang, G, Zhan, X.
Deposit date:2021-07-31
Release date:2022-11-09
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex.
Science, 376, 2022
8QPZ
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BU of 8qpz by Molmil
CryoEM structure of recombinant DeltaN7 alpha-synuclein in PBS
Descriptor: Alpha-synuclein
Authors:Thacker, D, Wilkinson, M, Dewison, K.M, Ranson, N.A, Brockwell, D.J, Radford, S.E.
Deposit date:2023-10-03
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Residues 2 to 7 of alpha-synuclein regulate amyloid formation via lipid-dependent and lipid-independent pathways.
Proc.Natl.Acad.Sci.USA, 121, 2024
6U14
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BU of 6u14 by Molmil
VHH R303 C33A/C102A in complex withthe LRR domain of InlB
Descriptor: SULFATE ION, VHH R303 C33A/C102A mutant
Authors:Mendoza, M.N, Jian, M, Toride King, M, Brooks, C.L.
Deposit date:2019-08-15
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Role of a noncanonical disulfide bond in the stability, affinity, and flexibility of a VHH specific for the Listeria virulence factor InlB.
Protein Sci., 29, 2020
1ZQL
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BU of 1zql by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (15 MILLIMOLAR) AND MGCL2 (15 MILLIMOLAR)
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), MANGANESE (II) ION, ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-12
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
7GEP
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BU of 7gep by Molmil
SULFITE REDUCTASE HEMOPROTEIN IN COMPLEX WITH A PARTIALLY OXIDIZED SULFIDE SPECIES
Descriptor: IRON/SULFUR CLUSTER, SIROHEME, SODIUM ION, ...
Authors:Crane, B.R, Getzoff, E.D.
Deposit date:1997-07-11
Release date:1998-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products.
Biochemistry, 36, 1997
5MEA
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BU of 5mea by Molmil
Crystal structure of yeast Cdt1 (N terminal and middle domain), form 2.
Descriptor: Cell division cycle protein CDT1, GLYCEROL, SULFATE ION
Authors:Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
Deposit date:2016-11-14
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
5MLE
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BU of 5mle by Molmil
Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2 13-516) Mutant Y479E/Y499E
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dihydropyrimidinase-related protein 2, ...
Authors:Sethi, R, Zheng, Y, Talon, R, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F.
Deposit date:2016-12-06
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nat Commun, 9, 2018
3TEX
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BU of 3tex by Molmil
Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to 1.7-A resolution
Descriptor: CALCIUM ION, Protective antigen
Authors:Feld, G.K, Krantz, B.A.
Deposit date:2011-08-15
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Domain flexibility modulates the heterogeneous assembly mechanism of anthrax toxin protective antigen.
J.Mol.Biol., 415, 2012
6ULL
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BU of 6ull by Molmil
BshB from Bacillus subtilis complexed with a substrate analogue
Descriptor: (2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid, N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1, SULFATE ION, ...
Authors:Cook, P.D, Castleman, M.M, Woodward, R.L.
Deposit date:2019-10-08
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray crystallographic structure of BshB, the zinc-dependent deacetylase involved in bacillithiol biosynthesis.
Protein Sci., 29, 2020
8SBJ
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BU of 8sbj by Molmil
Co-structure Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform complexed with brain penetrant inhibitors
Descriptor: (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Elling, R.A, Tang, J.
Deposit date:2023-04-03
Release date:2023-07-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
8SBC
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BU of 8sbc by Molmil
Co-structure of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform and brain penetrant inhibitors
Descriptor: (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Knapp, M.S, Elling, R.A, Tang, J.
Deposit date:2023-04-03
Release date:2023-07-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023

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