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6GJQ
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BU of 6gjq by Molmil
human NBD1 of CFTR in complex with nanobody T27
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, Nanobody T27
Authors:Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C.
Deposit date:2018-05-16
Release date:2019-06-19
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
6GKD
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BU of 6gkd by Molmil
human NBD1 of CFTR in complex with nanobodies D12 and G3a
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, GLYCEROL, ...
Authors:Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C.
Deposit date:2018-05-18
Release date:2019-06-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
6GJU
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BU of 6gju by Molmil
human NBD1 of CFTR in complex with nanobodies T2a and T4
Descriptor: Cystic fibrosis transmembrane conductance regulator, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C.
Deposit date:2018-05-17
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
6GJS
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BU of 6gjs by Molmil
Human NBD1 of CFTR in complex with nanobodies D12 and T4
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ...
Authors:Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C.
Deposit date:2018-05-16
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
6GK4
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BU of 6gk4 by Molmil
Human NBD1 of CFTR in complex with nanobodies D12 and T8
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, GLYCEROL, ...
Authors:Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C.
Deposit date:2018-05-18
Release date:2019-06-19
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
6LKC
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BU of 6lkc by Molmil
Crystal structure of PfaD from Shewanella piezotolerans in complex with FMN
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Zhang, M.L, Li, Q, Meng, S.S, Guo, L.J, He, L, Huang, J.Z, Li, L, Zhang, H.D.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural Insights into the Trans -Acting Enoyl Reductase in the Biosynthesis of Long-Chain Polyunsaturated Fatty Acids in Shewanella piezotolerans .
J.Agric.Food Chem., 69, 2021
6UYD
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BU of 6uyd by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Zhu, J.
Deposit date:2019-11-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYM
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BU of 6uym by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v6 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Zhu, J.
Deposit date:2019-11-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.848 Å)
Cite:Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYG
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BU of 6uyg by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Zhu, J.
Deposit date:2019-11-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.375 Å)
Cite:Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYF
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BU of 6uyf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Zhu, J.
Deposit date:2019-11-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
2FET
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BU of 2fet by Molmil
Synthesis of C-D-Glycopyranosyl-Hydroquinones and-Benzoquinones. Inhibition of PTP1B. Inhibition of and binding to glycogen phosphorylase in the crystal
Descriptor: (1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol, Glycogen phosphorylase, muscle form, ...
Authors:Chrysina, E.D, Kosmopoulou, M.N, Leonidas, D.D, Oikonomakos, N.G.
Deposit date:2005-12-16
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:In the Search of Glycogen Phosphorylase Inhibitors: Synthesis of C-D-Glycopyranosylbenzo(hydro)quinones Inhibition of and Binding to Glycogen Phosphorylase in the Crystal
Eur.J.Org.Chem., 4, 2007
2FF5
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BU of 2ff5 by Molmil
Synthesis of C-D-Glycopyranosyl-Hydroquinones and-Benzoquinones. Inhibition of PTP1B. Inhibition of and binding to glycogen phosphorylase in the crystal
Descriptor: (1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol, Glycogen phosphorylase, muscle form, ...
Authors:Chrysina, E.D, Kosmopoulou, M.N, Leonidas, D.D, Oikonomakos, N.G.
Deposit date:2005-12-19
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:In the Search of Glycogen Phosphorylase Inhibitors: Synthesis of C-D-Glycopyranosylbenzo(hydro)quinones Inhibition of and Binding to Glycogen Phosphorylase in the Crystal
Eur.J.Org.Chem., 4, 2007
8S9H
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BU of 8s9h by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 14
Descriptor: (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Critton, D.A.
Deposit date:2023-03-28
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.437 Å)
Cite:Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
7JPI
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BU of 7jpi by Molmil
Crystal structure of EBOV glycoprotein with modified HR2 stalk at 2.3A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
Authors:Chaudhary, A, Stanfield, R.L, Wilson, I.A, Zhu, J.
Deposit date:2020-08-08
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Single-component multilayered self-assembling nanoparticles presenting rationally designed glycoprotein trimers as Ebola virus vaccines.
Nat Commun, 12, 2021
7JPH
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BU of 7jph by Molmil
Crystal structure of EBOV glycoprotein with modified HR1c and HR2 stalk at 3.2 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
Authors:Chaudhary, A, Stanfield, R.L, Wilson, I.A, Zhu, J.
Deposit date:2020-08-08
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.195 Å)
Cite:Single-component multilayered self-assembling nanoparticles presenting rationally designed glycoprotein trimers as Ebola virus vaccines.
Nat Commun, 12, 2021
6CE0
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BU of 6ce0 by Molmil
Crystal structure of a HIV-1 clade B tier-3 isolate H078.14 UFO-BG Env trimer in complex with broadly neutralizing Fabs PGT124 and 35O22 at 4.6 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy chain, ...
Authors:Kumar, S, Sarkar, A, Wilson, I.A.
Deposit date:2018-02-09
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.602 Å)
Cite:HIV-1 vaccine design through minimizing envelope metastability.
Sci Adv, 4, 2018
7F59
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BU of 7f59 by Molmil
DNQX-bound GluK2-1xNeto2 complex
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:He, L.L, Gao, Y.W, Li, B, Zhao, Y.
Deposit date:2021-06-21
Release date:2021-09-29
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Kainate receptor modulation by NETO2.
Nature, 599, 2021
7F56
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BU of 7f56 by Molmil
DNQX-bound GluK2-1xNeto2 complex, with asymmetric LBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ...
Authors:He, L.L, Gao, Y.W, Li, B, Zhao, Y.
Deposit date:2021-06-21
Release date:2021-09-29
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Kainate receptor modulation by NETO2.
Nature, 599, 2021
7F57
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BU of 7f57 by Molmil
Kainate-bound GluK2-1xNeto2 complex, at the desensitized state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ...
Authors:He, L.L, Gao, Y.W, Li, B, Zhao, Y.
Deposit date:2021-06-21
Release date:2021-09-29
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Kainate receptor modulation by NETO2.
Nature, 599, 2021
7F5B
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BU of 7f5b by Molmil
LBD-TMD focused reconstruction of DNQX-bound GluK2-1xNeto2 complex
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, L.L, Gao, Y.W, Li, B, Zhao, Y.
Deposit date:2021-06-21
Release date:2021-09-29
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Kainate receptor modulation by NETO2.
Nature, 599, 2021
7F5A
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BU of 7f5a by Molmil
DNQX-bound GluK2-2xNeto2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ...
Authors:He, L.L, Gao, Y.W, Li, B, Zhao, Y.
Deposit date:2021-06-21
Release date:2021-09-29
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Kainate receptor modulation by NETO2.
Nature, 599, 2021
7T47
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BU of 7t47 by Molmil
KRAS G12D (GppCp) with MRTX-1133
Descriptor: 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol, ACETATE ION, GLYCEROL, ...
Authors:Thomas, N.C, Gunn, R.J, Lawson, J.D, Wang, X, Matthew, M.A.
Deposit date:2021-12-09
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:A Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors
Nature, 2022
6J1O
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BU of 6j1o by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
Authors:Qiu, S, Wei, C.
Deposit date:2018-12-28
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J60
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BU of 6j60 by Molmil
hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217)
Descriptor: 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1
Authors:Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C.
Deposit date:2019-01-12
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.96 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
6J46
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BU of 6j46 by Molmil
LepI-SAH complex structure
Descriptor: O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Qiu, S, Wei, C.
Deposit date:2019-01-08
Release date:2019-05-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019

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