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7MBJ
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BU of 7mbj by Molmil
Crystal structure of cGMP dependent protein kinase I alpha (PKG I alpha)CNB-A domain with R177Q mutation
Descriptor: cGMP-dependent protein kinase 1
Authors:Kim, J.J, Casteel, D.E, Kim, C.
Deposit date:2021-03-31
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:An auto-inhibited state of protein kinase G and implications for selective activation.
Elife, 11, 2022
5YBC
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BU of 5ybc by Molmil
X-ray structure of native ETS-domain domain of Ergp55
Descriptor: GLYCEROL, Transcriptional regulator ERG
Authors:Saxena, A.K, Gangwar, S.P.
Deposit date:2017-09-04
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparative structure analysis of the ETSi domain of ERG3 and its complex with the E74 promoter DNA sequence
Acta Crystallogr F Struct Biol Commun, 74, 2018
5YBD
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BU of 5ybd by Molmil
X-ray structure of ETS domain of Ergp55 in complex with E74DNA
Descriptor: DNA (5'-D(P*AP*CP*CP*GP*GP*AP*AP*GP*T)-3'), DNA (5'-D(P*CP*AP*CP*TP*TP*CP*CP*GP*GP*T)-3'), Transcriptional regulator ERG
Authors:Saxena, A.K, Gangwar, S.P.
Deposit date:2017-09-04
Release date:2018-11-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.769 Å)
Cite:Comparative structure analysis of the ETSi domain of ERG3 and its complex with the E74 promoter DNA sequence
Acta Crystallogr F Struct Biol Commun, 74, 2018
7PQE
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BU of 7pqe by Molmil
Structure of SidJ/CaM bound to SdeA in post-catalysis state
Descriptor: CALCIUM ION, Calmodulin, Calmodulin-dependent glutamylase SidJ, ...
Authors:Adams, M, Bhogaraju, S.
Deposit date:2021-09-17
Release date:2021-10-06
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for protein glutamylation by the Legionella pseudokinase SidJ.
Nat Commun, 12, 2021
4Z0M
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BU of 4z0m by Molmil
EchA5 Mycobacterium tuberculosis
Descriptor: Enoyl-CoA hydratase
Authors:Chaudhary, S, Gokhale, R.S.
Deposit date:2015-03-26
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase
Chem.Biol., 22, 2015
7PPO
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BU of 7ppo by Molmil
Structure of SidJ/CaM bound to SdeA in pre-glutamylation state
Descriptor: CALCIUM ION, Calmodulin, Calmodulin-dependent glutamylase SidJ, ...
Authors:Adams, M, Bhogaraju, S.
Deposit date:2021-09-14
Release date:2021-10-27
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural basis for protein glutamylation by the Legionella pseudokinase SidJ.
Nat Commun, 12, 2021
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6XMX
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BU of 6xmx by Molmil
Cryo-EM structure of BCL6 bound to BI-3802
Descriptor: 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein
Authors:Yoon, H, Burman, S.S.R, Hunkeler, M, Nowak, R.P, Fischer, E.S.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Small-molecule-induced polymerization triggers degradation of BCL6.
Nature, 588, 2020
6X8E
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BU of 6x8e by Molmil
Crystal structure of JAK2 with Compound 11
Descriptor: Tyrosine-protein kinase JAK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
6X8G
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BU of 6x8g by Molmil
Crystal structure of TYK2 with Compound 22
Descriptor: Non-receptor tyrosine-protein kinase TYK2, trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
6X8F
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BU of 6x8f by Molmil
Crystal structure of TYK2 with Compound 11
Descriptor: Non-receptor tyrosine-protein kinase TYK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
5E0N
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BU of 5e0n by Molmil
Crystal Structure of MSMEG_3139, a monofunctional enoyl CoA isomerase from M.smegmatis
Descriptor: Enoyl-CoA hydratase/isomerase
Authors:Priyadarshan, K, Haque, A.S, Anandakrishnan, M, Sankaranarayanan, R.
Deposit date:2015-09-29
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase.
Chem.Biol., 22, 2015
7JY3
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BU of 7jy3 by Molmil
Structure of HbA with compound 23 (PF-07059013)
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JXZ
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BU of 7jxz by Molmil
Structure of HbA with compound (S)-4
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY0
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BU of 7jy0 by Molmil
Structure of HbA with compound 9
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY1
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BU of 7jy1 by Molmil
Structure of HbA with compound 19
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
5YC9
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BU of 5yc9 by Molmil
Crystal structure of a Pseudomonas aeruginosa transcriptional regulator
Descriptor: C-di-GMP-binding multidrug transporter transcriptional regulator BrlR
Authors:Harikiran, R, Rohan, S.
Deposit date:2017-09-07
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a Pseudomonas aeruginosa transcriptional regulator
To Be Published
5U5S
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BU of 5u5s by Molmil
Solution structures of Brd2 second bromodomain in complex with stat3 peptide
Descriptor: Bromodomain-containing protein 2, Stat3 peptide
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2016-12-07
Release date:2017-03-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Distinct Roles of Brd2 and Brd4 in Potentiating the Transcriptional Program for Th17 Cell Differentiation.
Mol. Cell, 65, 2017
8I60
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BU of 8i60 by Molmil
Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr
Descriptor: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ...
Authors:Konuma, T, Zhou, M.-M.
Deposit date:2023-01-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin.
Mol.Cell, 83, 2023
2YL3
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BU of 2yl3 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16G VARIANT AT 1.04 A RESOLUTION - RESTRAINT REFINED
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C, ...
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-05-31
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YLD
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BU of 2yld by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A
Descriptor: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-06-02
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YKZ
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BU of 2ykz by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: RESTRAINED REFINEMENT
Descriptor: CYTOCHROME C', HEME C, SULFATE ION
Authors:Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2011-05-30
Release date:2011-10-05
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL0
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BU of 2yl0 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16A VARIANT AT 0.95 A RESOLUTION
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2011-05-30
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL7
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BU of 2yl7 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16G VARIANT AT 0.9 A RESOLUTION - RESTRAINT REFINEMENT
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-05-31
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YLG
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BU of 2ylg by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: ASCORBATE AND CARBON MONOOXIDE BOUND L16A VARIANT AT 1.05 A RESOLUTION
Descriptor: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-06-02
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011

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