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7SIU
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BU of 7siu by Molmil
Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745
Descriptor: 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
Authors:Longenecker, K.L, Korepanova, A, Qiu, W.
Deposit date:2021-10-14
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy.
Acs Chem.Biol., 17, 2022
5WI0
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BU of 5wi0 by Molmil
Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
Descriptor: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-07-18
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
5WI1
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BU of 5wi1 by Molmil
Crystal structure of human NAMPT with fragment 5: (3E)-3-[(phenylamino)methylidene]oxan-2-one
Descriptor: (3E)-3-[(phenylamino)methylidene]oxan-2-one, Nicotinamide phosphoribosyltransferase, SULFATE ION
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-07-18
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
7OE0
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BU of 7oe0 by Molmil
E. coli pre-30S delta rbfA ribosomal subunit class F
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E.
Deposit date:2021-04-30
Release date:2021-07-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021
7OE1
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BU of 7oe1 by Molmil
30S ribosomal subunit from E. coli
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E.
Deposit date:2021-04-30
Release date:2021-07-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021
7OI0
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BU of 7oi0 by Molmil
E.coli delta rbfA pre-30S ribosomal subunit class D
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021
6NCN
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BU of 6ncn by Molmil
Fragment-based Discovery of an apoE4 Stabilizer
Descriptor: 1-(3-chlorophenyl)cyclobutane-1-carboximidamide, Apolipoprotein E
Authors:Jakob, C.G, Qiu, W.
Deposit date:2018-12-11
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
6NCO
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BU of 6nco by Molmil
Fragment-based Discovery of an apoE4 Stabilizer
Descriptor: 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide, Apolipoprotein E
Authors:Jakob, C.G, Qiu, W.
Deposit date:2018-12-11
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
7M2F
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BU of 7m2f by Molmil
CDK2 with compound 14 inhibitor with carboxylate
Descriptor: Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid
Authors:Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.632 Å)
Cite:Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors.
Acs Med.Chem.Lett., 12, 2021

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PDB entries from 2024-07-10

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