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8QFY
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BU of 8qfy by Molmil
Crystal structure of high affinity TCR in complex with pHLA harbouring bacterial peptide
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Pengelly, R.J, Robinson, R.A.
Deposit date:2023-09-05
Release date:2024-05-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:An HLA-E-targeted TCR bispecific molecule redirects T cell immunity against Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 121, 2024
4U82
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BU of 4u82 by Molmil
Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate
Descriptor: Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
Authors:Zhu, W, Oldfield, E.
Deposit date:2014-07-31
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
8V9I
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BU of 8v9i by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2023-12-08
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Acs Infect Dis., 10, 2024
4UTB
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BU of 4utb by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, ...
Authors:Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
Deposit date:2014-07-18
Release date:2015-01-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
6MYE
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BU of 6mye by Molmil
Crystal structure of human Scribble PDZ1 domain in complex with internal PDZ binding motif of Src homology 3 domain-containing guanine nucleotide exchange factor (SGEF)
Descriptor: FORMIC ACID, Protein scribble homolog, Rho guanine nucleotide exchange factor 26, ...
Authors:Sun, Y.J, Hou, T, Gakhar, L, Fuentes, E.J.
Deposit date:2018-11-01
Release date:2019-04-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility.
J.Cell Biol., 218, 2019
3BOX
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BU of 3box by Molmil
Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg
Descriptor: L-rhamnonate dehydratase, MAGNESIUM ION
Authors:Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-12-18
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: L-rhamnonate dehydratase.
Biochemistry, 47, 2008
6MWR
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BU of 6mwr by Molmil
Recognition of MHC-like molecule
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Le Nours, J, Rossjohn, J.
Deposit date:2018-10-30
Release date:2019-12-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A class of gamma delta T cell receptors recognize the underside of the antigen-presenting molecule MR1.
Science, 366, 2019
6N60
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BU of 6n60 by Molmil
Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Microcin J25 (MccJ25)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
Deposit date:2018-11-23
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.68 Å)
Cite:Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NO3
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BU of 6no3 by Molmil
ADP bound to V113bL mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6NO6
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BU of 6no6 by Molmil
K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: Succinate--CoA ligase [ADP-forming] subunit beta
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
7QO8
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BU of 7qo8 by Molmil
Structure of Protease1 from Pyrococcus horikoshii in space group 19 with a hexamer in the asymmetric unit
Descriptor: Deglycase PH1704, SULFATE ION
Authors:Engilberge, S, Gabel, F, Girard, E.
Deposit date:2021-12-23
Release date:2022-03-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Medical contrast agents as promising tools for biomacromolecular SAXS experiments.
Acta Crystallogr D Struct Biol, 78, 2022
6NO1
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BU of 6no1 by Molmil
ADP bound to K46bE mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Succinate--CoA ligase [ADP-forming] subunit beta
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6NO4
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BU of 6no4 by Molmil
ADP bound to L227bF mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Succinate--CoA ligase [ADP-forming] subunit beta
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
8VZ4
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BU of 8vz4 by Molmil
L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)
Descriptor: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Fried, S.D.E, Boxer, S.G.
Deposit date:2024-02-09
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase
To Be Published
8GDJ
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BU of 8gdj by Molmil
Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nguyen, D.N, Tolbert, W.D, Pazgier, M.
Deposit date:2023-03-06
Release date:2024-03-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128
To Be Published
8GDK
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BU of 8gdk by Molmil
Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-06
Release date:2024-03-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
To Be Published
6NO2
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BU of 6no2 by Molmil
ADP bound to K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
6NO5
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BU of 6no5 by Molmil
ADP bound to K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AMMONIUM ION, MAGNESIUM ION, ...
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
8QIC
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BU of 8qic by Molmil
Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors
Descriptor: 2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid, GLYCEROL, Threonine--tRNA ligase, ...
Authors:Rodriguez, J.A, Parisini, E.
Deposit date:2023-09-13
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors.
Plos One, 19, 2024
8HAO
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BU of 8hao by Molmil
Human parathyroid hormone receptor-1 dimer
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha, ...
Authors:Zhao, L, Xu, H.E, Yuan, Q.
Deposit date:2022-10-26
Release date:2022-12-21
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
7BQK
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BU of 7bqk by Molmil
The structure of PdxI in complex with its substrate analogue
Descriptor: 1,2-ETHANEDIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
8VML
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BU of 8vml by Molmil
PRC2_AJ1-450 bound to H3K4me3
Descriptor: AEPB2, EED, EZH2, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-13
Release date:2025-01-15
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
8VNZ
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BU of 8vnz by Molmil
PRC2_AJ1-450 bound to H3K36me3-modified nucleosome with histone H3 tail disengaged
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, Isoform 3 of Zinc finger protein AEBP2, ...
Authors:Cookis, T, Nogales, E.
Deposit date:2024-01-14
Release date:2025-01-15
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for the inhibition of PRC2 by active transcription histone posttranslational modifications.
Nat.Struct.Mol.Biol., 32, 2025
6NO0
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BU of 6no0 by Molmil
ADP bound to ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huang, J, Fraser, M.E.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:ATP-specificity of succinyl-CoA synthetase from Blastocystis hominis.
Acta Crystallogr D Struct Biol, 75, 2019
8HFD
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BU of 8hfd by Molmil
Crystal structure of allantoinase from E. coli BL21
Descriptor: Allantoinase, DI(HYDROXYETHYL)ETHER, ZINC ION
Authors:Lin, E.S, Huang, H.Y, Yang, P.C, Liu, H.W, Huang, C.Y.
Deposit date:2022-11-10
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal Structure of Allantoinase from Escherichia coli BL21: A Molecular Insight into a Role of the Active Site Loops in Catalysis.
Molecules, 28, 2023

238895

数据于2025-07-16公开中

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