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PDB: 42254 results

6MJA
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Crystal structure of the mCD1d/xxo (JJ294) /iNKTCR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Zajonc, D.M, Bitra, A, Janssens, J.
Deposit date:2018-09-20
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
6MJQ
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BU of 6mjq by Molmil
Crystal structure of the mCD1d/xxp (JJ295) /iNKTCR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Zajonc, D.M, Bitra, A, Janssens, J.
Deposit date:2018-09-21
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
8DMF
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BU of 8dmf by Molmil
Cryo-EM structure of the ribosome-bound Bacteroides thetaiotaomicron EF-G2
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tetracycline resistance protein TetQ
Authors:Wang, C, Han, W, Groisman, E.A, Liu, J.
Deposit date:2022-07-08
Release date:2023-01-04
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Gut colonization by Bacteroides requires translation by an EF-G paralog lacking GTPase activity.
Embo J., 2022
8WAM
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BU of 8wam by Molmil
Cryo-EM structure of the ABCG25 E232Q mutant bound to ATP and Magnesium
Descriptor: ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-07
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WD6
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BU of 8wd6 by Molmil
Cryo-EM structure of the ABCG25
Descriptor: ABC transporter G family member 25
Authors:Xin, J, Yan, K.G.
Deposit date:2023-09-14
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
8WF7
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BU of 8wf7 by Molmil
The Crystal Structure of integrase from Biortus
Descriptor: ACETATE ION, Integrase, SULFATE ION
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-09-19
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure of integrase from Biortus
To Be Published
5M96
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BU of 5m96 by Molmil
Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists
Descriptor: Nuclear receptor ROR-gamma, ~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide
Authors:Kallen, J.
Deposit date:2016-10-31
Release date:2016-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Synthesis and Biological Evaluation of New Triazolo- and Imidazolopyridine ROR gamma t Inverse Agonists.
ChemMedChem, 11, 2016
4Z9V
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BU of 4z9v by Molmil
TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL
Descriptor: BICARBONATE ION, Bcl-2-like protein 1,APOPTOSIS REGULATOR BCL-XL, SODIUM ION, ...
Authors:Cura, V, Agez, M, Thebault, S, Cavarelli, J.
Deposit date:2015-04-12
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL.
Sci Rep, 6, 2016
5FLK
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BU of 5flk by Molmil
Structure of haloalkane dehalogenase variant DhaA101
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DHAA101, DI(HYDROXYETHYL)ETHER
Authors:Chaloupkova, R, Waterman, J, Damborsky, J.
Deposit date:2015-10-26
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Evolutionary Analysis is a Powerful Complement to Energy Calculations Allowing Entropy-Driven Stabilization
To be Published
4XG0
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BU of 4xg0 by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group C2221
Descriptor: CHLORIDE ION, CITRIC ACID, SULFATE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-30
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
6MIE
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BU of 6mie by Molmil
Solution NMR structure of the KCNQ1 voltage-sensing domain
Descriptor: Potassium voltage-gated channel subfamily KQT member 1
Authors:Taylor, K.C, Kuenze, G, Smith, J.A, Meiler, J, McFeeters, R.L, Sanders, C.R.
Deposit date:2018-09-19
Release date:2020-03-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state.
Elife, 9, 2020
6MJI
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BU of 6mji by Molmil
Crystal structure of the mCD1d/xxs (JJ304) /iNKTCR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Zajonc, D.M, Bitra, A, Janssens, J.
Deposit date:2018-09-20
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
8X2S
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BU of 8x2s by Molmil
The Crystal Structure of BPGM from Biortus
Descriptor: 1,2-ETHANEDIOL, Bisphosphoglycerate mutase
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-11-10
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of BPGM from Biortus
To Be Published
4XOI
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BU of 4xoi by Molmil
Structure of hsAnillin bound with RhoA(Q63L) at 2.1 Angstroms resolution
Descriptor: Actin-binding protein anillin, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, L, Guan, R, Lee, I.-J, Liu, Y, Chen, M, Wang, J, Wu, J, Chen, Z.
Deposit date:2015-01-16
Release date:2015-07-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Mechanistic insights into the anchorage of the contractile ring by anillin and mid1
Dev.Cell, 33, 2015
7ARX
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BU of 7arx by Molmil
Crystal structure of the catalytic fragment of masp-1 in complex with SFMI1
Descriptor: DI(HYDROXYETHYL)ETHER, Mannan-binding lectin serine protease 1, SFMI1 - Sunflower MASP1 inhibitor
Authors:Durvanger, Z, Harmat, V, Dobo, J, Megyeri, M.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Directed Evolution-Driven Increase of Structural Plasticity Is a Prerequisite for Binding the Complement Lectin Pathway Blocking MASP-Inhibitor Peptides.
Acs Chem.Biol., 17, 2022
5MCQ
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BU of 5mcq by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR
Descriptor: 1,2-ETHANEDIOL, BACE-1 ACTIVE AND EXOSITE BINDING INHIBITOR, Beta-secretase 1
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-10
Release date:2017-09-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
8W78
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BU of 8w78 by Molmil
Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase in complex with FAD and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, DODECYL-BETA-D-MALTOSIDE, FI05204p, ...
Authors:Yang, J, Chen, X, Jin, S, Ding, J.
Deposit date:2023-08-30
Release date:2023-11-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria.
J.Biol.Chem., 300, 2023
8W75
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BU of 8w75 by Molmil
Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase
Descriptor: DODECYL-BETA-D-MALTOSIDE, FI05204p, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Yang, J, Chen, X, Jin, S, Ding, J.
Deposit date:2023-08-30
Release date:2023-11-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria.
J.Biol.Chem., 300, 2023
6MTI
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BU of 6mti by Molmil
Synaptotagmin-1 C2A, C2B domains and SNARE-pin proteins (5CCI) individually docked into Cryo-EM map of C2AB-SNARE complexes helically organized on lipid nanotube surface in presence of Mg2+
Descriptor: MAGNESIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ...
Authors:Grushin, K, Wang, J, Coleman, J, Rothman, J, Sindelar, C, Krishnakumar, S.
Deposit date:2018-10-19
Release date:2019-04-24
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (10.4 Å)
Cite:Structural basis for the clamping and Ca2+activation of SNARE-mediated fusion by synaptotagmin.
Nat Commun, 10, 2019
8W7F
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BU of 8w7f by Molmil
Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase bound with FAD and a sulfate ion
Descriptor: DODECYL-BETA-D-MALTOSIDE, FI05204p, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yang, J, Chen, X, Jin, S, Ding, J.
Deposit date:2023-08-30
Release date:2023-11-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria.
J.Biol.Chem., 300, 2023
5M69
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BU of 5m69 by Molmil
Thermolysin in complex with inhibitor and xenon
Descriptor: (2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
Deposit date:2016-10-24
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin.
J. Am. Chem. Soc., 139, 2017
8WF4
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BU of 8wf4 by Molmil
The Crystal Structure of RSK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Ribosomal protein S6 kinase alpha-1
Authors:Wang, F, Cheng, W, Lv, Z, Qi, J, Li, J.
Deposit date:2023-09-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Crystal Structure of RSK1 from Biortus.
To Be Published
8WFY
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BU of 8wfy by Molmil
The Crystal Structure of SHP2 from Biortus.
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-09-20
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of SHP2 from Biortus.
To Be Published
6YCY
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BU of 6ycy by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2020-03-19
Release date:2020-11-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
8W77
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BU of 8w77 by Molmil
Human Consensus Olfactory Receptor OR52c in apo state, OR52c only
Descriptor: Human Consensus Olfactory Receptor OR52c in apo state, receptor only,Soluble cytochrome b562
Authors:Choi, C.W, Bae, J, Choi, H.-J, Kim, J.
Deposit date:2023-08-30
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023

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