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8D7H
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BU of 8d7h by Molmil
Cryo-EM structure of human CLCF1 in complex with CRLF1 and CNTFR alpha
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cardiotrophin-like cytokine factor 1, ...
Authors:Zhou, Y, Franklin, M.C.
Deposit date:2022-06-07
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into the assembly of gp130 family cytokine signaling complexes.
Sci Adv, 9, 2023
8D82
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BU of 8d82 by Molmil
Cryo-EM structure of human IL-6 signaling complex in detergent: model containing full extracellular domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-6, ...
Authors:Zhou, Y, Franklin, M.C.
Deposit date:2022-06-07
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structural insights into the assembly of gp130 family cytokine signaling complexes.
Sci Adv, 9, 2023
8D85
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BU of 8d85 by Molmil
Cryo-EM structure of human IL-27 signaling complex: model containing the interaction core region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 receptor subunit alpha, ...
Authors:Zhou, Y, Franklin, M.C.
Deposit date:2022-06-07
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Structural insights into the assembly of gp130 family cytokine signaling complexes.
Sci Adv, 9, 2023
5UZK
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BU of 5uzk by Molmil
Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor
Descriptor: 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Jacobs, M.D, Brown, K.
Deposit date:2017-02-26
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
2OJG
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BU of 2ojg by Molmil
Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
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BU of 2ojj by Molmil
Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJI
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BU of 2oji by Molmil
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OK1
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BU of 2ok1 by Molmil
Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-15
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
5HVU
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BU of 5hvu by Molmil
Rho-associated protein kinase 1 (ROCK 1) in complex with a pyridine thiazole piperidine inhibitor
Descriptor: 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide, Rho-associated protein kinase 1
Authors:Jacobs, M.J.
Deposit date:2016-01-28
Release date:2017-02-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:ROCK inhibitors 2. Improving potency, selectivity and solubility through the application of rationally designed solubilizing groups.
Bioorg. Med. Chem. Lett., 2018
7KKE
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BU of 7kke by Molmil
Phosphoinositide 3-Kinase gamma bound to a thiazole inhibitor
Descriptor: N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Jacobs, M.D, Griffith, J.P.
Deposit date:2020-10-27
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of a Novel Series of Potent and Selective Alkynylthiazole-Derived PI3K gamma Inhibitors.
Acs Med.Chem.Lett., 12, 2021
2PST
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BU of 2pst by Molmil
1.8A Crystal Structure of the PA2412 protein from Pseudomonas aeruginosa
Descriptor: Hypothetical protein PA2412
Authors:Gulick, A.M, Drake, E.J, Shah, M.B.
Deposit date:2007-05-07
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8 A crystal structure of PA2412, an MbtH-like protein from the pyoverdine cluster of Pseudomonas aeruginosa.
J.Biol.Chem., 282, 2007
8FW1
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BU of 8fw1 by Molmil
Gluconobacter Ene-Reductase (GluER) mutant - PagER
Descriptor: FLAVIN MONONUCLEOTIDE, N-ethylmaleimide reductase
Authors:Dahagam, S, Page, C, Patterson, M.G, Hyster, T.K.
Deposit date:2023-01-20
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Regioselective Radical Alkylation of Arenes Using Evolved Photoenzymes.
J.Am.Chem.Soc., 145, 2023
2H8N
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BU of 2h8n by Molmil
Structure of a glutamine-rich domain from histone deacetylase 4
Descriptor: Histone deacetylase 4
Authors:Guo, L, Han, A, Bates, D.L, Chen, L.
Deposit date:2006-06-07
Release date:2007-02-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a conserved N-terminal domain of histone deacetylase 4 reveals functional insights into glutamine-rich domains.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7KNU
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BU of 7knu by Molmil
CryoEM structure of the CGRP receptor with bound CGRP peptide in a detergent micelle
Descriptor: Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1
Authors:Belousoff, M.J, Danev, R.
Deposit date:2020-11-06
Release date:2021-02-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structure and dynamics of the CGRP receptor in apo and peptide-bound forms.
Science, 372, 2021
7KNT
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BU of 7knt by Molmil
CryoEM structure of the apo-CGRP receptor in a detergent micelle
Descriptor: Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1
Authors:Belousoff, M.J, Danev, R.
Deposit date:2020-11-06
Release date:2021-02-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structure and dynamics of the CGRP receptor in apo and peptide-bound forms.
Science, 372, 2021
3BJK
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BU of 3bjk by Molmil
Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase: The Asp44Ala mutant enzyme
Descriptor: 1,2-ETHANEDIOL, Acyl-CoA thioester hydrolase HI0827, CITRIC ACID
Authors:Willis, M.A, Herzberg, O, Structure 2 Function Project (S2F)
Deposit date:2007-12-04
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of YciA from Haemophilus influenzae (HI0827), a Hexameric Broad Specificity Acyl-Coenzyme A Thioesterase.
Biochemistry, 47, 2008
4FA0
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BU of 4fa0 by Molmil
Crystal structure of human AdPLA to 2.65 A resolution
Descriptor: Group XVI phospholipase A1/A2
Authors:Lovell, S, Battaile, K.P, Addington, L, Zhang, N, Rao, J.L.U.M, Moise, A.R.
Deposit date:2012-05-21
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure/Function relationships of adipose phospholipase A2 containing a cys-his-his catalytic triad.
J.Biol.Chem., 287, 2012
7E4I
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BU of 7e4i by Molmil
Cryo-EM structure of the yeast mitochondrial SAM-Tom40/Tom5/Tom6 complex at 3.0 angstrom
Descriptor: Mitochondrial import receptor subunit TOM40, Mitochondrial import receptor subunit TOM5, Mitochondrial import receptor subunit TOM6, ...
Authors:Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P.
Deposit date:2021-02-13
Release date:2021-09-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
7E4H
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BU of 7e4h by Molmil
Cryo-EM structure of the yeast mitochondrial SAM-Tom40 complex at 3.0 angstrom
Descriptor: Mitochondrial import receptor subunit TOM40, Sorting assembly machinery 35 kDa subunit, Sorting assembly machinery 37 kDa subunit, ...
Authors:Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P.
Deposit date:2021-02-13
Release date:2021-09-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
2O94
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BU of 2o94 by Molmil
The 97H/F mutant Structure of a glutamine-rich domain from histone deacetylase 4
Descriptor: Histone deacetylase 4
Authors:Guo, L, Han, A, Bates, D.L, Chen, L.
Deposit date:2006-12-13
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a conserved N-terminal domain of histone deacetylase 4 reveals functional insights into glutamine-rich domains.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7TV3
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BU of 7tv3 by Molmil
LH2-LH3 antenna in parallel configuration embedded in a nanodisc
Descriptor: BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ...
Authors:Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y.
Deposit date:2022-02-03
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (11.4 Å)
Cite:Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
7TUW
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BU of 7tuw by Molmil
LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc
Descriptor: BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ...
Authors:Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y.
Deposit date:2022-02-03
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
7TNB
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BU of 7tnb by Molmil
Caulobacter segnis arene reductase (CSAR) - WT
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase, ...
Authors:Garfinkle, S.E, Jeffrey, P, Hyster, T.K.
Deposit date:2022-01-20
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:An asymmetric sp 3 -sp 3 cross-electrophile coupling using 'ene'-reductases.
Nature, 610, 2022
6C1S
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BU of 6c1s by Molmil
Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile
Authors:Jacobs, M.D, Griffin, J.P.
Deposit date:2018-01-05
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS).
J. Med. Chem., 61, 2018
8FB9
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BU of 8fb9 by Molmil
LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc
Descriptor: BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ...
Authors:Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y.
Deposit date:2022-11-29
Release date:2023-07-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023

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