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8USK
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BU of 8usk by Molmil
Crystal Structure of Kemp Eliminase HG185 in unbound state, 280 K
Descriptor: Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
6ZPM
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BU of 6zpm by Molmil
Crystal structure of the unconventional kinetochore protein Trypanosoma cruzi KKT4 coiled coil domain
Descriptor: THREONINE, Trypanosoma cruzi KKT4 117-218
Authors:Ludzia, P, Lowe, D.E, Marciano, G, Mohammed, S, Redfield, C, Akiyoshi, B.
Deposit date:2020-07-08
Release date:2020-10-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein.
Structure, 29, 2021
7T3H
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BU of 7t3h by Molmil
MicroED structure of Dynobactin
Descriptor: TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE
Authors:Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S.
Deposit date:2021-12-07
Release date:2022-10-19
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
8USE
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BU of 8use by Molmil
Crystal Structure of Kemp Eliminase HG649 in unbound state, 280 K
Descriptor: Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8QD6
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BU of 8qd6 by Molmil
AntI Ser245DHA (PMSF)
Descriptor: ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, SODIUM ION, ...
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
6N54
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BU of 6n54 by Molmil
Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidocytidine monophosphate
Descriptor: 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate), GLYCEROL, MAGNESIUM ION, ...
Authors:Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W.
Deposit date:2018-11-21
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
6X66
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BU of 6x66 by Molmil
Legionella pneumophila dDot T4SS OMC
Descriptor: DotC, DotD, Inner membrane lipoprotein YiaD, ...
Authors:Durie, C.L, Sheedlo, M.J, Chung, J.M, Byrne, B.G, Su, M, Knight, T, Swanson, M.S, Lacy, D.B, Ohi, M.D.
Deposit date:2020-05-27
Release date:2020-10-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural analysis of the Legionella pneumophila Dot/Icm type IV secretion system core complex.
Elife, 9, 2020
7TOR
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BU of 7tor by Molmil
Mammalian 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein GR20
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
8USL
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BU of 8usl by Molmil
Crystal Structure of Kemp Eliminase HG185 with bound transition state analogue, 280 K
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8QN3
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BU of 8qn3 by Molmil
OPR3 wildtype in complex with NADH4
Descriptor: 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ...
Authors:Bijelic, A, Macheroux, P, Keschbaumer, B.
Deposit date:2023-09-25
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Loop 6 and the beta-hairpin flap are structural hotspots that determine cofactor specificity in the FMN-dependent family of ene-reductases.
Febs J., 291, 2024
8USJ
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BU of 8usj by Molmil
Crystal Structure of Kemp Eliminase HG198 with bound transition state analogue, 280 K
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp eliminase
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
4Y4L
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BU of 4y4l by Molmil
Crystal structure of yeast Thi4-C205S
Descriptor: (2E)-2-[(2S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid, Thiamine thiazole synthase
Authors:Zhang, X, Ealick, S.E.
Deposit date:2015-02-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
8C76
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BU of 8c76 by Molmil
Light-state 2.5 Angstrom wild-type X-ray crystal structure of the cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions from a form 2 crystal illuminated during 5 s
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M.
Deposit date:2023-01-12
Release date:2023-08-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8USG
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BU of 8usg by Molmil
Crystal Structure of Kemp Eliminase HG630 in unbound state, 280 K
Descriptor: Kemp eliminase, SULFATE ION
Authors:Seifinoferest, B.
Deposit date:2023-10-27
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
7TOQ
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BU of 7toq by Molmil
Mammalian 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein poly-PR
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
5DZV
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BU of 5dzv by Molmil
Protocadherin alpha 7 extracellular cadherin domains 1-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdha7, ...
Authors:Goodman, K.M, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
6DNU
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BU of 6dnu by Molmil
Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the oxidised form
Descriptor: HEXAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbD
Authors:Heras, B, Smith, R.P, Paxman, J.J.
Deposit date:2018-06-07
Release date:2018-09-12
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.283 Å)
Cite:Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
6XPP
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BU of 6xpp by Molmil
Crystal structure of itaconate modified Mycobaterium tuberculosis isocitrate lyase
Descriptor: 2-methylidenebutanedioic acid, Isocitrate lyase, MAGNESIUM ION
Authors:Kwai, B.X.C, Bashiri, G, Leung, I.K.H.
Deposit date:2020-07-08
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Itaconate is a covalent inhibitor of the Mycobacterium tuberculosis isocitrate lyase.
Rsc Med Chem, 12, 2021
4Y85
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BU of 4y85 by Molmil
Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
Descriptor: 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine, Mitogen-activated protein kinase kinase kinase 8
Authors:Gutmann, S, Hinniger, A.
Deposit date:2015-02-16
Release date:2015-05-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
5IZV
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BU of 5izv by Molmil
Crystal structure of the legionella pneumophila effector protein RavZ - F222
Descriptor: Uncharacterized protein RavZ
Authors:Kwon, D.H, Kim, L, Kim, B.-W, Hong, S.B, Song, H.K.
Deposit date:2016-03-26
Release date:2016-11-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.814 Å)
Cite:The 1:2 complex between RavZ and LC3 reveals a mechanism for deconjugation of LC3 on the phagophore membrane
Autophagy, 13, 2017
7NYJ
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BU of 7nyj by Molmil
Structure of OBP1 from Varroa destructor, form P3<2>21
Descriptor: CALCIUM ION, Odorant Binding Protein 1 from Varoa destructor, form P3<2>21, ...
Authors:Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P.
Deposit date:2021-03-22
Release date:2021-07-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.
Sci Rep, 11, 2021
7TOO
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BU of 7too by Molmil
Yeast 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein GR20
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
8C36
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BU of 8c36 by Molmil
Light-adapted 2.0 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
5E63
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BU of 5e63 by Molmil
K262A mutant of I-SmaMI
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ...
Authors:Shen, B, Stoddard, B.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
6WBS
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BU of 6wbs by Molmil
Human CFTR first nucleotide binding domain with dF508/V510D
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D.
Deposit date:2020-03-27
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.857 Å)
Cite:Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published

224004

PDB entries from 2024-08-21

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