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6OZK
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BU of 6ozk by Molmil
Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after 68h soak in Ca2+
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZR
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BU of 6ozr by Molmil
Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 15 min soak in 10 mM Mg2+
Descriptor: 1,2-ETHANEDIOL, DNA/RNA (23-MER), Endonuclease V, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZF
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BU of 6ozf by Molmil
Crystal structure of Thermotoga maritima (Tm) Endonuclease V (D110N) in complex with a 12mer DNA containing an inosine followed by a ribo-adenosine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA/RNA (5'-D(P*AP*AP*TP*GP*I)-R(P*A)-D(P*GP*AP*TP*GP*CP*T)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZM
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BU of 6ozm by Molmil
Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 10 min soak in 10 mM Mn2+
Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZO
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BU of 6ozo by Molmil
Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 30 min soak in 10 mM Mn2+
Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-R(*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.235 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZG
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BU of 6ozg by Molmil
Crystal structure of Thermotoga maritima (Tm) Endonuclease V (E89Q) in complex with a 12mer DNA containing an inosine followed by a ribo-adenosine
Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-D(*AP*AP*TP*GP*A)-R(P*A)-D(P*GP*AP*T)-R(P*NP*N)-D(P*T)-3'), Endonuclease V, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6OZN
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BU of 6ozn by Molmil
Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 15 min soak in 10 mM Mn2+
Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
7DTE
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BU of 7dte by Molmil
SARS-CoV-2 RdRP catalytic complex with T33-1 RNA
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (33-MER), ...
Authors:Wang, Q, Gong, P.
Deposit date:2021-01-04
Release date:2021-10-20
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Remdesivir overcomes the S861 roadblock in SARS-CoV-2 polymerase elongation complex.
Cell Rep, 37, 2021
3TOA
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BU of 3toa by Molmil
Human MOF crystal structure with active site lysine partially acetylated
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ZINC ION, ...
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
4RDO
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BU of 4rdo by Molmil
Structure of YTH-YTHDF2 in the free state
Descriptor: SULFATE ION, YTH domain-containing family protein 2
Authors:Li, F.D, Zhao, D.B, Wu, J.H, Shi, Y.Y.
Deposit date:2014-09-19
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of the YTH domain of human YTHDF2 in complex with an m(6)A mononucleotide reveals an aromatic cage for m(6)A recognition.
Cell Res., 24, 2014
4RDN
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BU of 4rdn by Molmil
Structure of YTH-YTHDF2 in complex with m6A
Descriptor: N-methyladenosine, SULFATE ION, YTH domain-containing family protein 2
Authors:Li, F.D, Zhao, D.B, Wu, J.H, Shi, Y.Y.
Deposit date:2014-09-19
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the YTH domain of human YTHDF2 in complex with an m(6)A mononucleotide reveals an aromatic cage for m(6)A recognition.
Cell Res., 24, 2014
8DTL
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BU of 8dtl by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 peptide
Descriptor: Insulin mimetic peptide S597, Insulin receptor
Authors:Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
Deposit date:2022-07-25
Release date:2022-09-07
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
8DTM
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BU of 8dtm by Molmil
Cryo-EM structure of insulin receptor (IR) bound with S597 component 2
Descriptor: Insulin mimetic peptide S597 component 2, Insulin receptor
Authors:Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E.
Deposit date:2022-07-26
Release date:2022-09-07
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
5CEI
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BU of 5cei by Molmil
Crystal structure of CDK8:Cyclin C complex with compound 22
Descriptor: 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ...
Authors:Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T.
Deposit date:2015-07-06
Release date:2016-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells.
Acs Med.Chem.Lett., 7, 2016
5CI6
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BU of 5ci6 by Molmil
Crystal structure of Arabidopsis thaliana MPK6
Descriptor: Mitogen-activated protein kinase 6
Authors:Qin, X, Li, P, Chen, Z, Ren, D.
Deposit date:2015-07-11
Release date:2016-05-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Analysis of crystal structure of Arabidopsis MPK6 and generation of its mutants with higher activity
Sci Rep, 6, 2016
7MOY
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BU of 7moy by Molmil
Structure of HDAC2 in complex with an inhibitor (compound 19)
Descriptor: (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2021-05-03
Release date:2021-07-14
Last modified:2021-11-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
7MOS
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BU of 7mos by Molmil
Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4)
Descriptor: (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2021-05-03
Release date:2021-07-14
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
7MOX
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BU of 7mox by Molmil
Structure of HDAC2 in complex with an inhibitor (compound 14)
Descriptor: (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2021-05-03
Release date:2021-07-14
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
7MOT
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BU of 7mot by Molmil
Structure of HDAC2 in complex with an inhibitor (compound 9)
Descriptor: 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2021-05-03
Release date:2021-07-14
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
7MOZ
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BU of 7moz by Molmil
Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25)
Descriptor: (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name), CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2021-05-03
Release date:2021-07-14
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 47, 2021
8K9F
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BU of 8k9f by Molmil
Cryo-EM structure of the photosynthetic alternative complex III from Chloroflexus aurantiacus at 2.9 angstrom
Descriptor: 1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate, Cytochrome c domain-containing protein, Cytochrome c7-like domain-containing protein, ...
Authors:Xu, X.
Deposit date:2023-08-01
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of HQNO-bound Alternative Complex III from the anoxygenic phototrophic bacterium Chloroflexus aurantiacus.
Plant Cell, 2024
8K9E
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BU of 8k9e by Molmil
Cryo-EM structure of the photosynthetic alternative complex III from Chloroflexus aurantiacus at 3.3 angstrom
Descriptor: 1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate, Cytochrome c domain-containing protein, Cytochrome c7-like domain-containing protein, ...
Authors:Xu, X.
Deposit date:2023-08-01
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Cryo-EM structure of HQNO-bound Alternative Complex III from the anoxygenic phototrophic bacterium Chloroflexus aurantiacus.
Plant Cell, 2024
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
Descriptor: Ran guanine nucleotide release factor
Authors:Hu, Q, Liu, Y, Bao, X, Liu, H.
Deposit date:2017-09-21
Release date:2017-11-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
6XEC
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BU of 6xec by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O)
Descriptor: (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Clausen, D.
Deposit date:2020-06-12
Release date:2020-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
6XDM
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BU of 6xdm by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-06-11
Release date:2020-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Selective Class I HDAC Inhibitors Based on Aryl Ketone Zinc Binding Induce HIV-1 Protein for Clearance.
Acs Med.Chem.Lett., 11, 2020

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