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4Z63
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BU of 4z63 by Molmil
The plant peptide hormone receptor in arabidopsis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, Phytosulfokine receptor 1
Authors:Chai, J, Wang, J, Han, Z.
Deposit date:2015-04-03
Release date:2016-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.514 Å)
Cite:Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
5GO7
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BU of 5go7 by Molmil
Linear tri-ubiquitin
Descriptor: D-ubiquitin, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y.
Deposit date:2016-07-26
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOC
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BU of 5goc by Molmil
Lys11-linked diubiquitin
Descriptor: D-ubiquitin, SODIUM ION, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y.
Deposit date:2016-07-26
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.733 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOI
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BU of 5goi by Molmil
Lys48-linked di-ubiquitin
Descriptor: D-ubiquitin, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y, Liu, L.
Deposit date:2016-07-27
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOG
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BU of 5gog by Molmil
Lys29-linked di-ubiquitin
Descriptor: D-ubiquitin, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y.
Deposit date:2016-07-27
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOK
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BU of 5gok by Molmil
K11/K63-branched tri-Ubiquitin
Descriptor: D-ubiquitin, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y, Liu, L.
Deposit date:2016-07-27
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOB
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BU of 5gob by Molmil
Lys6-linked di-ubiquitin
Descriptor: D-ubiquitin, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y, Liu, L.
Deposit date:2016-07-26
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.153 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOH
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BU of 5goh by Molmil
Lys33-linked di-ubiquitin
Descriptor: D-ubiquitin, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y, Liu, L.
Deposit date:2016-07-27
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GO8
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BU of 5go8 by Molmil
Linear tetra-ubiquitin
Descriptor: D-ubiquitin, ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y.
Deposit date:2016-07-26
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOD
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BU of 5god by Molmil
Lys27-linked di-ubiquitin
Descriptor: D-ubiquitin, MAGNESIUM ION, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y.
Deposit date:2016-07-26
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
5GOJ
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BU of 5goj by Molmil
Lys63-linked di-ubiquitin
Descriptor: D-ubiquitin, Ubiquitin
Authors:Gao, S, Pan, M, Zheng, Y, Liu, L.
Deposit date:2016-07-27
Release date:2016-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Monomer/Oligomer Quasi-Racemic Protein Crystallography
J.Am.Chem.Soc., 138, 2016
6ZY3
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BU of 6zy3 by Molmil
Cryo-EM structure of MlaFEDB in complex with phospholipid
Descriptor: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY2
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BU of 6zy2 by Molmil
Cryo-EM structure of apo MlaFEDB
Descriptor: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY4
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BU of 6zy4 by Molmil
Cryo-EM structure of MlaFEDB in complex with ADP
Descriptor: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY9
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BU of 6zy9 by Molmil
Cryo-EM structure of MlaFEDB in complex with AMP-PNP
Descriptor: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, MAGNESIUM ION, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6CPW
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BU of 6cpw by Molmil
Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology
Descriptor: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Hruza, A, Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
7SVP
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BU of 7svp by Molmil
Structure of compound 34 bound to human Phospholipase D2 catalytic domain
Descriptor: 1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one, Phospholipase D2
Authors:Metrick, C.M, Chodaparambil, J.V.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Phospholipase D Inhibitors with Improved Drug-like Properties and Central Nervous System Penetrance.
Acs Med.Chem.Lett., 13, 2022
7SXF
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BU of 7sxf by Molmil
BIO-2895 (BRD0705) bound GSK3alpha-axin complex
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Axin peptide, CALCIUM ION, ...
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXG
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BU of 7sxg by Molmil
BIO-8546 bound GSK3alpha-axin complex
Descriptor: (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Axin peptide, Glycogen synthase kinase-3 alpha
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
5TWN
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BU of 5twn by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA- DEPENDENT RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-11-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
7SXJ
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BU of 7sxj by Molmil
BIO-2895 (BRD0705) bound GSK3beta-axin complex
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta, axin peptide
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
7SXH
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BU of 7sxh by Molmil
BIO-8546 bound GSK3beta-axin complex
Descriptor: (4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-dimethyl-4,5,6,7,8,9-hexahydro-2H-pyrazolo[3,4-b]quinolin-5-ol, Glycogen synthase kinase-3 beta, axin peptide
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023
5TWM
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BU of 5twm by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-11-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
2XA4
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BU of 2xa4 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J, Green, I, Pollard, H, Howard, T, Mott, R.
Deposit date:2010-03-26
Release date:2010-12-15
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of 5-Chloro-N2-[(1S)-1-(5-Fluoropyrimidin-2-Yl) Ethyl]-N4-(5-Methyl-1H-Pyrazol-3-Yl)Pyrimidine-2,4-Diamine (Azd1480) as a Novel Inhibitor of the Jak/Stat Pathway
J.Med.Chem., 54, 2011
8GQC
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BU of 8gqc by Molmil
Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.35 angstrom resolution)
Descriptor: Papain-like protease nsp3
Authors:Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
Deposit date:2022-08-30
Release date:2023-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target.
Nat Commun, 14, 2023

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