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7URT
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BU of 7urt by Molmil
T=1 particle HIV-1 CA G60A/G61P/M66A
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
Deposit date:2022-04-22
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
7URN
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BU of 7urn by Molmil
Structure of HIV-1 capsid declination
Descriptor: HIV-1 capsid protein, INOSITOL HEXAKISPHOSPHATE
Authors:Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
Deposit date:2022-04-22
Release date:2023-02-15
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
7UP8
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BU of 7up8 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 27 (co-crystal)
Descriptor: (5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5
Authors:Yano, J.K, Abendroth, J, Hall, A.
Deposit date:2022-04-14
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP7
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BU of 7up7 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak)
Descriptor: (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5
Authors:Yano, J.K, Abendroth, J, Hall, A.
Deposit date:2022-04-14
Release date:2022-07-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP6
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BU of 7up6 by Molmil
Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal)
Descriptor: (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form, OXAMIC ACID, Ribosomal protein S6 kinase alpha-5
Authors:Yano, J.K, Abendroth, J, Hall, A.
Deposit date:2022-04-14
Release date:2022-08-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP5
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BU of 7up5 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal)
Descriptor: (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5
Authors:Yano, J.K, Edwards, T.E, Hall, A.
Deposit date:2022-04-14
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UP4
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BU of 7up4 by Molmil
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 20 (co-crystal)
Descriptor: (5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine, Ribosomal protein S6 kinase alpha-5
Authors:Yano, J.K, Abendroth, J, Hall, A.
Deposit date:2022-04-14
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1.
Acs Med.Chem.Lett., 13, 2022
7UMB
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BU of 7umb by Molmil
NanoBRET tracer Tram-bo bound to a KSR2-MEK1 complex
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Marsiglia, W.M, Khan, K.M, Dar, A.C.
Deposit date:2022-04-06
Release date:2023-09-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.231 Å)
Cite:Live-cell target engagement of allosteric MEKi on MEK-RAF/KSR-14-3-3 complexes.
Nat.Chem.Biol., 20, 2024
7UI5
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BU of 7ui5 by Molmil
Evolution avoids a pathological stabilizing interaction in the immune protein S100A9
Descriptor: CALCIUM ION, Protein S100-A9
Authors:Reardon, P.N, Harman, J.L, Costello, S.M, Warren, G.D, Phillips, S.R, Connor, P.J, Marqusee, S, Harms, M.J.
Deposit date:2022-03-28
Release date:2022-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Evolution avoids a pathological stabilizing interaction in the immune protein S100A9.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UGB
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BU of 7ugb by Molmil
Crystal structure of rat ERK2 complexed with docking peptide from ISG20
Descriptor: Interferon-stimulated gene 20 kDa protein, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Torres Robles, J, Stiegler, A.L, Boggon, T.J, Turk, B.E.
Deposit date:2022-03-24
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:To be determined
To Be Published
7T13
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BU of 7t13 by Molmil
Hexameric HIV-1 (M-group) CA Q50Y mutant
Descriptor: Capsid protein p24
Authors:Jacques, D.A, James, L.C.
Deposit date:2021-12-01
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7T12
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BU of 7t12 by Molmil
Hexameric HIV-1 (O-group) CA
Descriptor: Capsid protein p24
Authors:Jacques, D.A, James, L.C.
Deposit date:2021-12-01
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7S61
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BU of 7s61 by Molmil
Human KATP channel in open conformation, focused on Kir and one SUR, position 5
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2021-09-12
Release date:2021-12-01
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Molecular structure of an open human K ATP channel.
Proc.Natl.Acad.Sci.USA, 118, 2021
7S60
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BU of 7s60 by Molmil
Human KATP channel in open conformation, focused on Kir and one SUR, position 4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2021-09-12
Release date:2021-12-01
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular structure of an open human K ATP channel.
Proc.Natl.Acad.Sci.USA, 118, 2021
7S5Z
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BU of 7s5z by Molmil
Human KATP channel in open conformation, focused on Kir and one SUR, position 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2021-09-12
Release date:2021-12-01
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular structure of an open human K ATP channel.
Proc.Natl.Acad.Sci.USA, 118, 2021
7S5Y
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BU of 7s5y by Molmil
Human KATP channel in open conformation, focused on Kir and one SUR, position 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2021-09-12
Release date:2021-12-01
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular structure of an open human K ATP channel.
Proc.Natl.Acad.Sci.USA, 118, 2021
7S5X
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BU of 7s5x by Molmil
Human KATP channel in open conformation, focused on Kir and one SUR, position 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2021-09-12
Release date:2021-12-01
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular structure of an open human K ATP channel.
Proc.Natl.Acad.Sci.USA, 118, 2021
7S5T
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BU of 7s5t by Molmil
Human KATP channel in open conformation, focused on Kir (C166S G334D double mutant) and SUR TMD0
Descriptor: ATP-sensitive inward rectifier potassium channel 11, POTASSIUM ION
Authors:Zhao, C, MacKinnon, R.
Deposit date:2021-09-12
Release date:2021-12-01
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular structure of an open human K ATP channel.
Proc.Natl.Acad.Sci.USA, 118, 2021
7S1N
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BU of 7s1n by Molmil
N-Aromatic-Substituted Indazole Derivatives as Brain Penetrant and Orally Bioavailable JNK3 Inhibitors
Descriptor: 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2021-09-02
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:N -Aromatic-Substituted Indazole Derivatives as Brain-Penetrant and Orally Bioavailable JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7RJ4
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BU of 7rj4 by Molmil
Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-20
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RJ2
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BU of 7rj2 by Molmil
Co-crystal structure of lenacapavir bound to Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-20
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RHN
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BU of 7rhn by Molmil
Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-17
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RHM
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BU of 7rhm by Molmil
Structure of Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-17
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RAR
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BU of 7rar by Molmil
Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-02
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RAO
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BU of 7rao by Molmil
Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-07-02
Release date:2022-11-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural and mechanistic bases of viral resistance to long-acting HIV-1 capsid inhibitor, Lenacapavir
To Be Published

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PDB entries from 2024-10-09

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