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8B38
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BU of 8b38 by Molmil
Chaetoceros socialis forma radians RNA virus 1 full capsid atomic model
Descriptor: Structural polyprotein
Authors:Wang, H, Okamoto, K, Munke, A.
Deposit date:2022-09-16
Release date:2022-11-23
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Insights into Common and Host-Specific Receptor-Binding Mechanisms in Algal Picorna-like Viruses.
Viruses, 14, 2022
8U0O
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BU of 8u0o by Molmil
Synaptic complex of human DNA polymerase Lambda DL variant engaged on a DNA double-strand break containing an unpaired 3' primer terminus
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*CP*GP*CP*GP*GP*CP*A)-3'), ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A.
Deposit date:2023-08-29
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining.
DNA Repair (Amst), 136, 2024
8IJO
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BU of 8ijo by Molmil
Structure of DNA binding domain of McrBC endonuclease bound to DNA: Y41F-L68F double mutant
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*CP*CP*GP*GP*TP*CP*TP*C)-3'), ...
Authors:Adhav, V.A, Saikrishnan, K.
Deposit date:2023-02-27
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of target recognition by the DNA binding domain of McrBC
To Be Published
8TUH
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BU of 8tuh by Molmil
HLA B7:02 with RPIIRPATL
Descriptor: 1,2-ETHANEDIOL, ARG-PRO-ILE-ILE-ARG-PRO-ALA-THR-LEU, Beta-2-microglobulin, ...
Authors:Littler, D.R, Rossjohn, J, Chaurasia, P, Petersen, J.
Deposit date:2023-08-16
Release date:2024-03-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.200106 Å)
Cite:CD8 + T-cell responses towards conserved influenza B virus epitopes across anatomical sites and age.
Nat Commun, 15, 2024
8IK4
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BU of 8ik4 by Molmil
Structure of DNA binding domain of McrBC endonuclease bound to hemimethylated DNA: L68F mutant
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*AP*GP*AP*(5CM)P*CP*GP*GP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*TP*CP*T)-3'), ...
Authors:Adhav, V.A, Saikrishnan, K.
Deposit date:2023-02-28
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of target recognition by the DNA binding domain of McrBC
To Be Published
8IJP
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BU of 8ijp by Molmil
Structure of DNA binding domain of McrBC endonuclease bound to DNA: L68Y mutant
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*CP*CP*GP*GP*TP*CP*TP*C)-3'), ...
Authors:Adhav, V.A, Saikrishnan, K.
Deposit date:2023-02-27
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis of target recognition by the DNA binding domain of McrBC
To Be Published
6PPA
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BU of 6ppa by Molmil
Crystal structure of the unliganded bromodomain of human BRD7
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 7, PHOSPHATE ION
Authors:Chan, A, Karim, M.R, Zhu, J, Schonbrunn, E.
Deposit date:2019-07-05
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
8U7U
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BU of 8u7u by Molmil
Proteasome 20S Core Particle from Beta 3 D205 deletion
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J.
Deposit date:2023-09-15
Release date:2024-04-17
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (2.16 Å)
Cite:Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 31, 2024
6XQX
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BU of 6xqx by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5
Descriptor: 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
8IKD
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BU of 8ikd by Molmil
Structure of DNA binding domain of McrBC endonuclease bound to DNA: Y41F-L68Y double mutant
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*CP*CP*GP*GP*TP*CP*TP*C)-3'), ...
Authors:Adhav, V.A, Saikrishnan, K.
Deposit date:2023-02-28
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of target recognition by the DNA binding domain of McrBC
To Be Published
8YWD
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BU of 8ywd by Molmil
Crystal structure of trehalose synthase mutant N253C from Deinococcus radiodurans
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ...
Authors:Ye, L.C, Chen, S.C.
Deposit date:2024-03-30
Release date:2025-03-19
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and Mutational Analyses of Trehalose Synthase from Deinococcus radiodurans Reveal the Interconversion of Maltose-Trehalose Mechanism.
J.Agric.Food Chem., 72, 2024
6N93
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BU of 6n93 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA
Descriptor: (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
8IK8
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BU of 8ik8 by Molmil
Structure of DNA binding domain of McrBC endonuclease bound to DNA: L68F mutant
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*CP*CP*GP*GP*TP*CP*TP*C)-3'), ...
Authors:Adhav, V.A, Saikrishnan, K.
Deposit date:2023-02-28
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of target recognition by the DNA binding domain of McrBC
To Be Published
6ZSM
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BU of 6zsm by Molmil
Crystal structure of rsGCaMP double mutant Ile80His/Val116Ile in the ON state (non-illuminated)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, FORMIC ACID, ...
Authors:Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D.
Deposit date:2020-07-16
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 40, 2022
8TQA
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BU of 8tqa by Molmil
Crystal structure of Fab.28.14.8 in complex with MHC-I (H2-Db)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Jiang, J, Boyd, L.F, Natarajan, K, Margulies, D.H.
Deposit date:2023-08-06
Release date:2024-03-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Experimental Structures of Antibody/MHC-I Complexes Reveal Details of Epitopes Overlooked by Computational Prediction.
J Immunol., 212, 2024
8TR1
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BU of 8tr1 by Molmil
Crystal structure of trypanosome brucei hypoxanthine guanine phosphopribosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2- phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
Authors:Guddat, L.W.
Deposit date:2023-08-09
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
6GNQ
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BU of 6gnq by Molmil
Monoclinic crystalline form of human insulin, complexed with meta-cresol
Descriptor: 1,2-ETHANEDIOL, Insulin, M-CRESOL, ...
Authors:Margiolaki, I, Karavassili, F, Valmas, A, Dimarogona, M, Giannopoulou, A.E, Fili, S, Schluckebier, G, Norrman, M, Beckers, D, Fitch, A.N.
Deposit date:2018-05-31
Release date:2019-06-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Monoclinic crystalline form of human insulin, complexed with meta-cresol
To Be Published
8TPY
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BU of 8tpy by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R] 4-Guanin-9-yl-2-hydroxymethyl-1-N-(3-phosphonopropionyl)pyrrolidine
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
Authors:Guddat, L.W.
Deposit date:2023-08-06
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
6PGU
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BU of 6pgu by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA
Descriptor: COENZYME A, Histone acetyltransferase p300, N-(thiophen-2-yl)acetamide
Authors:Gardberg, A.S, Poy, F, Setser, J.
Deposit date:2019-06-24
Release date:2019-10-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
8W2D
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BU of 8w2d by Molmil
holo-PCP-Thioesterase di-domain structure from the sulfazecin biosynthetic nonribosomal peptide synthetase, SulM
Descriptor: 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, Non-ribosomal peptide synthetase
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2024-02-20
Release date:2024-08-07
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of the monobactam-producing thioesterase domain of SulM forms a unique complex with the upstream carrier protein domain.
J.Biol.Chem., 300, 2024
6ZWY
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BU of 6zwy by Molmil
OMPD-domain of human UMPS in complex with UMP at 1.0 Angstroms resolution
Descriptor: GLYCEROL, PROLINE, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Tittmann, K, Rindfleisch, S.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
8REQ
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BU of 8req by Molmil
Crystal structure of reduced ThyX-Y91F mutant
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Pecqueur, L, Hamdane, D.
Deposit date:2023-12-12
Release date:2025-01-01
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Plasticity of Flavin-Dependent Thymidylate Synthase Controlled by the Enzyme Redox State.
Biomolecules, 15, 2025
6ZX0
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BU of 6zx0 by Molmil
OMPD-domain of human UMPS in complex with the substrate OMP at 1.25 Angstroms resolution
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7P19
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BU of 7p19 by Molmil
Crystal structure of SARS-CoV-2 RBD Q498Y complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Erausquin, E, Lopez-Sagaseta, J.
Deposit date:2021-07-01
Release date:2022-07-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural bases for the higher adherence to ACE2 conferred by the SARS-CoV-2 spike Q498Y substitution.
Acta Crystallogr D Struct Biol, 78, 2022
7P0E
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BU of 7p0e by Molmil
Crystal structure of human filamin C domains 14-15 cardiovascular disease causing mutation G1676R
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Isoform 2 of Filamin-C
Authors:Mlynek, G, Djinovic-Carugo, K.
Deposit date:2021-06-29
Release date:2022-07-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Analysis and prediction of pathogenic missense variants in human filamin C
To Be Published

244693

数据于2025-11-12公开中

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