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5Y6E
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BU of 5y6e by Molmil
VIM-2 metallo-beta-lactamase in complex with (R)-2-(4-hydroxyphenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid (compound 12)
Descriptor: (2R)-2-(4-hydroxyphenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B.
Deposit date:2017-08-11
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:((S)-3-Mercapto-2-methylpropanamido)acetic acid derivatives as metallo-beta-lactamase inhibitors: Synthesis, kinetic and crystallographic studies.
Eur J Med Chem, 145, 2018
1JBU
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BU of 1jbu by Molmil
Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183
Descriptor: BENZAMIDINE, COAGULATION FACTOR VII, Peptide exosite inhibitor A-183, ...
Authors:Eigenbrot, C, Kirchhofer, D, Dennis, M.S, Santell, L, Lazarus, R.A, Stamos, J, Ultsch, M.H.
Deposit date:2001-06-06
Release date:2001-07-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The factor VII zymogen structure reveals reregistration of beta strands during activation.
Structure, 9, 2001
2IKO
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BU of 2iko by Molmil
Crystal Structure of Human Renin Complexed with Inhibitor
Descriptor: 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE, Renin
Authors:Mochalkin, I.
Deposit date:2006-10-02
Release date:2006-11-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
2IL2
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BU of 2il2 by Molmil
Crystal Structure of Human Renin Complexed with Inhibitor
Descriptor: CITRIC ACID, N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE, Renin
Authors:Mochalkin, I.
Deposit date:2006-10-02
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
2IKU
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BU of 2iku by Molmil
Crystal Structure of Human Renin Complexed with Inhibitors
Descriptor: 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE, Renin
Authors:Mochalkin, I.
Deposit date:2006-10-02
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
6K0R
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BU of 6k0r by Molmil
Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin
Descriptor: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E.
Deposit date:2019-05-07
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
4FA6
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BU of 4fa6 by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Descriptor: 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Pannifer, A, Greasley, S.E.
Deposit date:2012-05-21
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
4FAD
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BU of 4fad by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Descriptor: 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Greasley, S.E, Knighton, D.R, LaFleur Rogers, C.M.
Deposit date:2012-05-22
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
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