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7YFY
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BU of 7yfy by Molmil
Cryo-EM structure of the Mili-piRNA- target ternary complex
Descriptor: MAGNESIUM ION, Piwi-like protein 2, RNA (5'-R(P*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ...
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-09
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YFX
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BU of 7yfx by Molmil
Cryo-EM structure of Hili in complex with piRNA
Descriptor: MAGNESIUM ION, Piwi-like protein 2, piRNA
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-09
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YFQ
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BU of 7yfq by Molmil
Cryo-EM structure of the EfPiwi (N959K)-piRNA-target ternary complex
Descriptor: MAGNESIUM ION, Piwi, RNA (5'-R(*UP*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ...
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-08
Release date:2024-02-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
6WBW
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BU of 6wbw by Molmil
Structure of Human HDAC2 in complex with an ethyl ketone inhibitor
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2020-03-27
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
6WBZ
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BU of 6wbz by Molmil
Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group
Descriptor: (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2020-03-28
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
8X2J
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BU of 8x2j by Molmil
Cryo-EM structure of the photosynthetic alternative complex III with a quinone inhibitor HQNO from Chloroflexus aurantiacus
Descriptor: 1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, Cytochrome c domain-containing protein, ...
Authors:Xu, X.
Deposit date:2023-11-09
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of HQNO-bound Alternative Complex III from the anoxygenic phototrophic bacterium Chloroflexus aurantiacus.
Plant Cell, 2024
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
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
4XU5
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BU of 4xu5 by Molmil
Crystal structure of MvINS bound to a bromine-derived 14C Diacylglycerol (DAG) at 2.1A resolution
Descriptor: (2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate, DECANE, Uncharacterized protein, ...
Authors:Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N.
Deposit date:2015-01-25
Release date:2015-10-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Science, 349, 2015
4XU4
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BU of 4xu4 by Molmil
Crystal structure of a mycobacterial Insig homolog MvINS from Mycobacterium vanbaalenii at 1.9A resolution
Descriptor: DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Uncharacterized protein, nonyl beta-D-glucopyranoside
Authors:Ren, R.B, Wu, J.P, Yan, C.Y, He, Y, Yan, N.
Deposit date:2015-01-25
Release date:2015-10-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:PROTEIN STRUCTURE. Crystal structure of a mycobacterial Insig homolog provides insight into how these sensors monitor sterol levels
Science, 349, 2015
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
6XEB
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BU of 6xeb by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E)
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, Clausen, D.
Deposit date:2020-06-12
Release date:2020-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
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
6XM2
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BU of 6xm2 by Molmil
The structure of the 4A11.v7 antibody in complex with human TGFb2
Descriptor: 4A11.v7 heavy chain Fab (VH-CH1) IgG1 humanized, 4A11.v7 kappa light chain Fab (VL-CL) humanized, Transforming growth factor beta-2
Authors:Lupardus, P.J, Yin, J.P.
Deposit date:2020-06-29
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:TGF beta 2 and TGF beta 3 isoforms drive fibrotic disease pathogenesis.
Sci Transl Med, 13, 2021
8U2E
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BU of 8u2e by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8EYX
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BU of 8eyx by Molmil
Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Asymmetric conformation 1
Descriptor: Insulin, Insulin receptor
Authors:Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E.
Deposit date:2022-10-29
Release date:2022-11-09
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
8EYY
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BU of 8eyy by Molmil
Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S, denoted as IR-3CS) Asymmetric conformation 2
Descriptor: Insulin, Insulin receptor
Authors:Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E.
Deposit date:2022-10-29
Release date:2022-11-09
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
8EZ0
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BU of 8ez0 by Molmil
Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Symmetric conformation
Descriptor: Insulin, Insulin receptor
Authors:Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E.
Deposit date:2022-10-29
Release date:2022-11-09
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
8EYR
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BU of 8eyr by Molmil
Cryo-EM structure of two IGF1 bound full-length mouse IGF1R mutant (four glycine residues inserted in the alpha-CT; IGF1R-P674G4): symmetric conformation
Descriptor: Insulin-like growth factor 1 receptor, Insulin-like growth factor I
Authors:Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E.
Deposit date:2022-10-28
Release date:2022-11-09
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
6ZOV
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BU of 6zov by Molmil
ENTEROPEPTIDASE IN COMPLEX WITH COMPOUND 6
Descriptor: 1,2-ETHANEDIOL, 4-GUANIDINOBENZOIC ACID, Enteropeptidase, ...
Authors:Cummings, M.D.
Deposit date:2020-07-07
Release date:2020-10-21
Last modified:2020-12-09
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Targeting Enteropeptidase with Reversible Covalent Inhibitors To Achieve Metabolic Benefits.
J.Pharmacol.Exp.Ther., 375, 2020
8Z85
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BU of 8z85 by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 1
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Chen, X, Xiong, X.
Deposit date:2024-04-21
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses
To Be Published
8Z8J
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BU of 8z8j by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 2
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses
To Be Published
8Z8N
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BU of 8z8n by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 3
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses
To Be Published
8Z8X
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BU of 8z8x by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription initiation conformation
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses
To Be Published

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