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1R44
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BU of 1r44 by Molmil
Crystal Structure of VanX
Descriptor: D-alanyl-D-alanine dipeptidase, ZINC ION
Authors:Pratt, S.D, Katz, L, Severin, J.M, Holzman, T, Park, C.H.
Deposit date:2003-10-03
Release date:2004-06-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Structure of VanX Reveals a Novel Amino-Dipeptidase Involved in Mediating Transposon-Based Vancomycin Resistance
Mol.Cell, 2, 1998
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
6E99
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BU of 6e99 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
Descriptor: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9W
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BU of 6e9w by Molmil
Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-08
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
5VHB
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BU of 5vhb by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
Descriptor: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-12
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VIB
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BU of 5vib by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VI9
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BU of 5vi9 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
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
2ERC
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BU of 2erc by Molmil
CRYSTAL STRUCTURE OF ERMC' A RRNA-METHYL TRANSFERASE
Descriptor: RRNA METHYL TRANSFERASE
Authors:Bussiere, D.E, Muchmore, S.W, Dealwis, C.G, Schluckebier, G, Abad-Zapatero, C.
Deposit date:1998-03-13
Release date:1999-03-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Crystal structure of ErmC', an rRNA methyltransferase which mediates antibiotic resistance in bacteria.
Biochemistry, 37, 1998

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