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6WZY
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BU of 6wzy by Molmil
Structure of DbNA(10) peptides bound to H-2Db MHC-I
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Farenc, C, Rossjohn, J.
Deposit date:2020-05-14
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Overlapping Peptides Elicit Distinct CD8 + T Cell Responses following Influenza A Virus Infection.
J Immunol., 205, 2020
8B45
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BU of 8b45 by Molmil
Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4
Descriptor: 1,2-ETHANEDIOL, CC-Tri-(UbUc)4, SODIUM ION, ...
Authors:Kumar, P, Martin, F.J.O, Dawson, W.M, Zieleniewski, F, Woolfson, D.N.
Deposit date:2022-09-19
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4
To Be Published
6X1R
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BU of 6x1r by Molmil
Crystal Structure of Choanoflagellate (Monosiga brevicollis) Dlg1 PDZ2 (mbDLG-2) in spacegroup P212121
Descriptor: GLYCEROL, mbDLG protein
Authors:Bamonte, H.A, Amacher, J.F.
Deposit date:2020-05-19
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis.
Protein Sci., 29, 2020
8BO9
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BU of 8bo9 by Molmil
NanoLuc-D9R/H57A/K89R mutant complexed with azacoelenterazine bound in intra-barrel catalytic site
Descriptor: 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Non structural polyprotein
Authors:Marek, M, Janin, L.Y.
Deposit date:2022-11-15
Release date:2023-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
6X2E
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BU of 6x2e by Molmil
Crystal Structure of Chlamydia trachomatis mixed (apo/holo) Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Schormann, N, Chattopadhyay, D.
Deposit date:2020-05-20
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Chlamydia trachomatis glyceraldehyde 3-phosphate dehydrogenase: Enzyme kinetics, high-resolution crystal structure, and plasminogen binding.
Protein Sci., 29, 2020
8BWG
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BU of 8bwg by Molmil
HRas (1-166) Y64 phosphorylation
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-12-06
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
6WXJ
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BU of 6wxj by Molmil
CSF1R signaling is a regulator of pathogenesis in progressive MS
Descriptor: 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine, Macrophage colony-stimulating factor 1 receptor
Authors:Liu, J.
Deposit date:2020-05-10
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:CSF1R signaling is a regulator of pathogenesis in progressive MS.
Cell Death Dis, 11, 2020
8B5D
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BU of 8b5d by Molmil
Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ABC transporter permease subunit, DI(HYDROXYETHYL)ETHER, ...
Authors:Whittaker, J, Guskov, A.
Deposit date:2022-09-22
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ
To Be Published
8B5E
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BU of 8b5e by Molmil
Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ
Descriptor: ABC transporter permease subunit, ARGININE, DI(HYDROXYETHYL)ETHER, ...
Authors:Whittaker, J, Guskov, A.
Deposit date:2022-09-22
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ
To Be Published
6RN6
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BU of 6rn6 by Molmil
DPP1 in complex with inhibitor
Descriptor: (2~{S},4~{R})-~{N}-[(2~{S})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Kack, H.
Deposit date:2019-05-08
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.
Acs Med.Chem.Lett., 10, 2019
6WZB
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BU of 6wzb by Molmil
Crystal structure of the GltPh V216C-G388C mutant cross-linked with divalent mercury
Descriptor: ASPARTIC ACID, Glutamate transporter homolog, MERCURY (II) ION, ...
Authors:Chen, I, Font, J, Ryan, R.
Deposit date:2020-05-13
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
8B5M
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BU of 8b5m by Molmil
Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor
Descriptor: (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ...
Authors:Males, A, Davies, G.J.
Deposit date:2022-09-23
Release date:2023-10-04
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:GH47 and Cyclosulfamidate
To Be Published
6WQX
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BU of 6wqx by Molmil
Human PRPK-TPRKB complex
Descriptor: EKC/KEOPS complex subunit TP53RK, EKC/KEOPS complex subunit TPRKB, MAGNESIUM ION, ...
Authors:Li, J, Ma, X.L, Banerjee, S, Dong, Z.G.
Deposit date:2020-04-29
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal structure of the human PRPK-TPRKB complex.
Commun Biol, 4, 2021
8B5Q
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BU of 8b5q by Molmil
Crystal Structure of P. aeruginosa WaaG in complex with UMP
Descriptor: UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-MONOPHOSPHATE
Authors:Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
Deposit date:2022-09-24
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
8B3C
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BU of 8b3c by Molmil
Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol
Descriptor: (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2
Authors:Zhang, L, Groves, M.R.
Deposit date:2022-09-16
Release date:2023-09-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
8B62
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BU of 8b62 by Molmil
Crystal Structure of P. aeruginosa WaaG in complex with UDP-galactose
Descriptor: GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG
Authors:Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
Deposit date:2022-09-25
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
6X01
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BU of 6x01 by Molmil
Crystal structure of the GltPh V216C-A391C mutant cross-linked in outward-facing state
Descriptor: ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION
Authors:Chen, I, Font, J, Ryan, R.
Deposit date:2020-05-15
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
8B63
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BU of 8b63 by Molmil
Crystal Structure of P. aeruginosa WaaG in complex with UDP-GalNAc
Descriptor: ACETATE ION, UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, ...
Authors:Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
Deposit date:2022-09-25
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
8BL3
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BU of 8bl3 by Molmil
De novo single-chain immunoglobulin dimer scIg12
Descriptor: GLYCEROL, scIg12
Authors:Nadal, M, Roel-Touris, J, Marcos, E.
Deposit date:2022-11-09
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops.
Nat Commun, 14, 2023
8B5S
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BU of 8b5s by Molmil
Crystal Structure of P. aeruginosa WaaG in complex with UDP-glucose
Descriptor: UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
Deposit date:2022-09-24
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
8BJS
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BU of 8bjs by Molmil
Apo KIF20A[55-510] crystal structure
Descriptor: Kinesin-like protein KIF20A, SULFATE ION, UNK-UNK-UNK-UNK
Authors:Ranaivoson, F.M, Kikuti, C, Crozet, V, Sirkia, M.E, Houdusse, A.
Deposit date:2022-11-06
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
6WKA
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BU of 6wka by Molmil
human carbonic anhydrase II bound to an inhibitor modified with azidothymidine
Descriptor: 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S.
Deposit date:2020-04-15
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors.
J.Med.Chem., 63, 2020
8BL6
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BU of 8bl6 by Molmil
De novo single-chain immunoglobulin dimer scIg12+EF3a
Descriptor: GLYCEROL, TERBIUM(III) ION, dIG14-scdim-EF62
Authors:Nadal, M, Roel-Touris, J, Marcos, E.
Deposit date:2022-11-09
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops.
Nat Commun, 14, 2023
8B87
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BU of 8b87 by Molmil
Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide
Descriptor: AMMONIUM ION, DI(HYDROXYETHYL)ETHER, Protein E6, ...
Authors:Stewart, B.Z, Kvansakul, M.
Deposit date:2022-10-04
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide
To Be Published
8B9S
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BU of 8b9s by Molmil
NATIVE FORM, THERMOSTABLE LIPASE FROM THERMOANAEROBACTER THERMOHYDROSULFURICUS
Descriptor: DECANE, GLYCEROL, PHOSPHATE ION, ...
Authors:Pinotsis, N, Wilmanns, M.
Deposit date:2022-10-06
Release date:2023-10-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery of a non-canonical prototype long-chain monoacylglycerol lipase through a structure-based endogenous reaction intermediate complex.
Nat Commun, 14, 2023

223790

数据于2024-08-14公开中

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