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PDB: 52161 results

7QN4
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BU of 7qn4 by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 14)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QME
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BU of 7qme by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 6)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMF
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BU of 7qmf by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 7)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMH
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BU of 7qmh by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 9)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
3ZUD
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BU of 3zud by Molmil
THERMOASCUS GH61 ISOZYME A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Otten, H, Quinlan, R.J, Sweeney, M.D, Poulsen, J.-C.N, Johansen, K.S, Krogh, K.B.R.M, Joergensen, C.I, Tovborg, M, Anthonsen, A, Tryfona, T, Walter, C.P, Dupree, P, Xu, F, Davies, G.J, Walton, P.H, Lo Leggio, L.
Deposit date:2011-07-18
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Insights Into the Oxidative Degradation of Cellulose by a Copper Metalloenzyme that Exploits Biomass Components.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZPK
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BU of 3zpk by Molmil
Atomic-resolution structure of a quadruplet cross-beta amyloid fibril.
Descriptor: TRANSTHYRETIN
Authors:Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S.A, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M.
Deposit date:2013-02-28
Release date:2013-12-04
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY, SOLID-STATE NMR
Cite:Atomic Structure and Hierarchical Assembly of a Cross-Beta Amyloid Fibril.
Proc.Natl.Acad.Sci.USA, 110, 2013
7QMJ
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BU of 7qmj by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 11)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMG
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BU of 7qmg by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 8)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QML
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BU of 7qml by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 13)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMI
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BU of 7qmi by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 10)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
3ZUA
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BU of 3zua by Molmil
A C39-like domain
Descriptor: ALPHA-HEMOLYSIN TRANSLOCATION ATP-BINDING PROTEIN HLYB
Authors:Lecher, J, Schwarz, C.K.W, Stoldt, M, Smits, S.S.H, Willbold, D, Schmitt, L.
Deposit date:2011-07-18
Release date:2012-08-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An Rtx Transporter Tethers its Unfolded Substrate During Secretion Via a Unique N-Terminal Domain.
Structure, 20, 2012
3ZK9
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BU of 3zk9 by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-FREE, OPEN STATE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
Authors:Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
Deposit date:2013-01-22
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
6TPF
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BU of 6tpf by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
Descriptor: (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1
Authors:Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A.
Deposit date:2019-12-13
Release date:2020-06-10
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
6TNE
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BU of 6tne by Molmil
Crystal structure of receiver domain from Hybrid Histidine Kinase CckA
Descriptor: Histidine kinase
Authors:Dubey, B.N, Bruederlin, M, Schirmer, T.
Deposit date:2019-12-06
Release date:2020-12-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of receiver domain from cyclic-di-GMP controlled hybrid histidine kinase
to be published
7QMK
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BU of 7qmk by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 12)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMM
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BU of 7qmm by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 14)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMN
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BU of 7qmn by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 15)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMO
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BU of 7qmo by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 16)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMP
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BU of 7qmp by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 17)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
9FGS
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BU of 9fgs by Molmil
SARS-CoV-2 (wuhan variant) Spike protein in complex with the single chain fragment scFv41N (focused refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Single Chain fragment scFv41N, Spike glycoprotein,Fibritin
Authors:Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M.
Deposit date:2024-05-25
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of scFv41N in complex with SARS-CoV-2 Spike protein
To Be Published
6TOW
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BU of 6tow by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylotetraose.
Descriptor: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-12
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6TP8
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BU of 6tp8 by Molmil
Substrate protein interactions in the limbus region of the catalytic site of Candida antarctica Lipase B
Descriptor: 2,3-di(butanoyloxy)propyl butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIETHYL PHOSPHONATE, ...
Authors:Cianci, M, Silvestrini, L.
Deposit date:2019-12-12
Release date:2020-05-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Principles of lipid-enzyme interactions in the limbus region of the catalytic site of Candida antarctica Lipase B.
Int.J.Biol.Macromol., 158, 2020
7QMQ
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BU of 7qmq by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMR
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BU of 7qmr by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 1)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMT
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BU of 7qmt by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 3)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Huang, C.Y, Aumonier, S, Wang, M.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022

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