4ENO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eno by Molmil](/molmil-images/mine/4eno) | Crystal structure of oxidized human nm23-H1 | Descriptor: | Nucleoside diphosphate kinase A, PHOSPHATE ION | Authors: | Kim, M.-S, Shin, D.-H. | Deposit date: | 2012-04-13 | Release date: | 2013-03-27 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Nm23-H1 under oxidative conditions. Acta Crystallogr.,Sect.D, 69, 2013
|
|
6AQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aqq by Molmil](/molmil-images/mine/6aqq) | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | Descriptor: | (3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, Bifunctional ligase/repressor BirA | Authors: | Cini, D.A, Wilce, M.C.J. | Deposit date: | 2017-08-21 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus. ACS Infect Dis, 4, 2018
|
|
6APW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6apw by Molmil](/molmil-images/mine/6apw) | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | Descriptor: | 4-[(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)methyl]benzoic acid, Bifunctional ligase/repressor BirA | Authors: | Cini, D.A, Wilce, M.C.J. | Deposit date: | 2017-08-18 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.614 Å) | Cite: | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus. ACS Infect Dis, 4, 2018
|
|
3GMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gmu by Molmil](/molmil-images/mine/3gmu) | Crystal Structure of Beta-Lactamse Inhibitory Protein (BLIP) in Apo Form | Descriptor: | AMMONIUM ION, Beta-lactamase inhibitory protein, SULFATE ION | Authors: | Strynadka, N.C.J, Gretes, M, James, M.N.G. | Deposit date: | 2009-03-15 | Release date: | 2009-03-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP. J.Mol.Biol., 389, 2009
|
|
3GMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gmx by Molmil](/molmil-images/mine/3gmx) | |
3GMY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gmy by Molmil](/molmil-images/mine/3gmy) | |
3GMW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gmw by Molmil](/molmil-images/mine/3gmw) | Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Complex with TEM-1 Beta-Lactamase | Descriptor: | B-lactamase, Beta-lactamase inhibitory protein BLIP-I, PHOSPHATE ION | Authors: | Lim, D.C, Gretes, M, Strynadka, N.C.J. | Deposit date: | 2009-03-15 | Release date: | 2009-03-31 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP. J.Mol.Biol., 389, 2009
|
|
3H42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h42 by Molmil](/molmil-images/mine/3h42) | Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody | Descriptor: | Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E. | Deposit date: | 2009-04-17 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3GMV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gmv by Molmil](/molmil-images/mine/3gmv) | Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Apo Form | Descriptor: | Beta-lactamase inhibitory protein BLIP-I, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Lim, D.C, Gretes, M, Strynadka, N.C.J. | Deposit date: | 2009-03-15 | Release date: | 2009-03-31 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP. J.Mol.Biol., 389, 2009
|
|
5VT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vt2 by Molmil](/molmil-images/mine/5vt2) | Crystal structure of growth differentiation factor | Descriptor: | 1,2-ETHANEDIOL, Growth/differentiation factor 15 | Authors: | Min, X, Wang, Z. | Deposit date: | 2017-05-15 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys. Sci Transl Med, 9, 2017
|
|
3P79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p79 by Molmil](/molmil-images/mine/3p79) | P38 inhibitor-bound | Descriptor: | 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Moffett, K.K, Namboodiri, H. | Deposit date: | 2010-10-12 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
|
|
3P78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p78 by Molmil](/molmil-images/mine/3p78) | P38 inhibitor-bound | Descriptor: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Moffett, K.K, Namboodiri, H. | Deposit date: | 2010-10-12 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
|
|
3P7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p7c by Molmil](/molmil-images/mine/3p7c) | p38 inhibitor-bound | Descriptor: | 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Moffett, K.K, Namboodiri, H. | Deposit date: | 2010-10-12 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
|
|
3P5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p5k by Molmil](/molmil-images/mine/3p5k) | P38 inhibitor-bound | Descriptor: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Namboodiri, H. | Deposit date: | 2010-10-08 | Release date: | 2011-11-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
|
|
3P7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p7b by Molmil](/molmil-images/mine/3p7b) | p38 inhibitor-bound | Descriptor: | 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Moffett, K.K, Namboodiri, H. | Deposit date: | 2010-10-12 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
|
|
3P7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p7a by Molmil](/molmil-images/mine/3p7a) | p38 inhibitor-bound | Descriptor: | 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Moffett, K.K, Namboodiri, H. | Deposit date: | 2010-10-12 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
|
|
1H8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1h8c by Molmil](/molmil-images/mine/1h8c) | UBX domain from human faf1 | Descriptor: | FAS-ASSOCIATED FACTOR 1 | Authors: | Bycroft, M.M. | Deposit date: | 2001-02-01 | Release date: | 2001-02-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Ubx Domain: A Widespread Ubiquitin-Like Module J.Mol.Biol., 307, 2001
|
|
8ENI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eni by Molmil](/molmil-images/mine/8eni) | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | Descriptor: | 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA | Authors: | Wilce, M.C.J, Cini, D.A. | Deposit date: | 2022-09-30 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus. ACS Infect Dis, 4, 2018
|
|
7JT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jt6 by Molmil](/molmil-images/mine/7jt6) | Mycobacterium tuberculosis dethiobiotin synthetase in complex with Tetrazole 2 | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ... | Authors: | Pederick, J.P, Bean, J.H, Bruning, J.B. | Deposit date: | 2020-08-17 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents. Acs Chem.Biol., 16, 2021
|
|
7JT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jt5 by Molmil](/molmil-images/mine/7jt5) | |
7L1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l1j by Molmil](/molmil-images/mine/7l1j) | |
2HVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hvd by Molmil](/molmil-images/mine/2hvd) | Human nucleoside diphosphate kinase A complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | Authors: | Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | Deposit date: | 2006-07-28 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP J.Bioenerg.Biomembr., 38, 2006
|
|
2HVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hve by Molmil](/molmil-images/mine/2hve) | S120G mutant of human nucleoside diphosphate kinase A complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | Authors: | Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | Deposit date: | 2006-07-28 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP J.Bioenerg.Biomembr., 38, 2006
|
|