2VID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vid by Molmil](/molmil-images/mine/2vid) | Serine protease SplB from Staphylococcus aureus at 1.8A resolution | Descriptor: | SERINE PROTEASE SPLB | Authors: | Dubin, G, Stec-Niemczyk, J, Kisielewska, M, Pustelny, K, Popowicz, G.M, Bista, M, Kantyka, T, Boulware, K.T, Stennicke, H.R, Czarna, A, Phopaisarn, M, Daugherty, P.S, Thogersen, I.B, Enghild, J.J, Thornberry, N, Dubin, A, Potempa, J. | Deposit date: | 2007-11-30 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enzymatic Activity of the Staphylococcus Aureus Splb Serine Protease is Induced by Substrates Containing the Sequence Trp-Glu-Leu-Gln. J.Mol.Biol., 379, 2008
|
|
1OH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oh1 by Molmil](/molmil-images/mine/1oh1) | Solution structure of staphostatin A form Staphylococcus aureus confirms the discovery of a novel class of cysteine proteinase inhibitors. | Descriptor: | STAPHOSTATIN A | Authors: | Dubin, G, Popowicz, G, Krajewski, M, Stec, J, Bochtler, M, Potempa, J, Dubin, A, Holak, T.A. | Deposit date: | 2003-05-21 | Release date: | 2003-11-20 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | A Novel Class of Cysteine Protease Inhibitors: Solution Structure of Staphostatin a from Staphylococcus Aureus Biochemistry, 42, 2003
|
|
5O12
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o12 by Molmil](/molmil-images/mine/5o12) | |
5O13
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o13 by Molmil](/molmil-images/mine/5o13) | Crystal structure of PIM1 kinase in complex with small-molecule inhibitor | Descriptor: | (3~{E})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{H}-indol-2-one, CHLORIDE ION, IMIDAZOLE, ... | Authors: | Dubin, G, Bogusz, J. | Deposit date: | 2017-05-17 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors. Sci Rep, 7, 2017
|
|
3UFA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ufa by Molmil](/molmil-images/mine/3ufa) | Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor | Descriptor: | CHLORIDE ION, N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide, Serine protease splA | Authors: | Zdzalik, M, Pietrusewicz, E, Pustelny, K, Stec-Niemczyk, J, Popowicz, G.M, Potempa, J, Oleksyszyn, J, Dubin, G. | Deposit date: | 2011-10-31 | Release date: | 2013-01-23 | Last modified: | 2014-03-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus. Protein Sci., 23, 2014
|
|
2AS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2as9 by Molmil](/molmil-images/mine/2as9) | Functional and structural characterization of Spl proteases from staphylococcus aureus | Descriptor: | ZINC ION, serine protease | Authors: | Popowicz, G.M, Dubin, G, Stec-Niemczyk, J, Czarny, A, Dubin, A, Potempa, J, Holak, T.A. | Deposit date: | 2005-08-23 | Release date: | 2005-09-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional and Structural Characterization of Spl Proteases from Staphylococcus aureus J.Mol.Biol., 358, 2006
|
|
2W7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w7u by Molmil](/molmil-images/mine/2w7u) | SplA serine protease of Staphylococcus aureus (2.4A) | Descriptor: | SERINE PROTEASE SPLA | Authors: | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2008-12-30 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus. Biochem.J., 419, 2009
|
|
2W7S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w7s by Molmil](/molmil-images/mine/2w7s) | SplA serine protease of Staphylococcus aureus (1.8A) | Descriptor: | SERINE PROTEASE SPLA | Authors: | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2008-12-30 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus Biochem.J., 419, 2009
|
|
4K1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k1t by Molmil](/molmil-images/mine/4k1t) | Gly-Ser-SplB protease from Staphylococcus aureus at 1.60 A resolution | Descriptor: | CHLORIDE ION, SULFATE ION, Serine protease SplB, ... | Authors: | Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G. | Deposit date: | 2013-04-05 | Release date: | 2014-04-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation. J.Biol.Chem., 289, 2014
|
|
4K1S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k1s by Molmil](/molmil-images/mine/4k1s) | Gly-Ser-SplB protease from Staphylococcus aureus at 1.96 A resolution | Descriptor: | Serine protease SplB | Authors: | Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G. | Deposit date: | 2013-04-05 | Release date: | 2014-04-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation. J.Biol.Chem., 289, 2014
|
|
4MVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mvn by Molmil](/molmil-images/mine/4mvn) | Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor | Descriptor: | Serine protease splA, [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid | Authors: | Zdzalik, M, Burchacka, E, Niemczyk, J.S, Pustelny, K, Popowicz, G.M, Wladyka, B, Dubin, A, Potempa, J, Sienczyk, M, Dubin, G, Oleksyszyn, J. | Deposit date: | 2013-09-24 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus. Protein Sci., 23, 2014
|
|
5NIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5niu by Molmil](/molmil-images/mine/5niu) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | Authors: | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | Deposit date: | 2017-03-27 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget, 8, 2017
|
|
5N2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n2d by Molmil](/molmil-images/mine/5n2d) | Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
|
|
4INK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ink by Molmil](/molmil-images/mine/4ink) | Crystal structure of SplD protease from Staphylococcus aureus at 1.56 A resolution | Descriptor: | Serine protease SplD | Authors: | Zdzalik, M, Kalinska, M, Cichon, P, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
|
|
4INL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4inl by Molmil](/molmil-images/mine/4inl) | Crystal structure of SplD protease from Staphylococcus aureus at 2.1 A resolution | Descriptor: | Serine protease SplD | Authors: | Cichon, P, Zdzalik, M, Kalinska, M, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
|
|
6YCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ycr by Molmil](/molmil-images/mine/6ycr) | Structure of human PD-L1 in complex with inhibitor | Descriptor: | FFIVIRDRVFR(CCS)G(NH2), Programmed cell death 1 ligand 1 | Authors: | Magiera-Mularz, K, Grudnik, P, Kuska, K, Holak, T.A, Dubin, G. | Deposit date: | 2020-03-18 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Macrocyclic Peptide Inhibitor of PD-1/PD-L1 Immune Checkpoint Adv. Ther., 2020
|
|
9FEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fee by Molmil](/molmil-images/mine/9fee) | Cryo-EM structure of Trypanosoma cruzi glycosomal malate dehydrogenase | Descriptor: | malate dehydrogenase | Authors: | Lipinski, O, Sonani, R.R, Blat, A, Jemiola-Rzeminska, M, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2024-05-19 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Cryo-EM structure of Trypanosoma cruzi glycosomal malate dehydrogenase To Be Published
|
|
9FEF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9fef by Molmil](/molmil-images/mine/9fef) | Cryo-EM structure of Trypanosoma cruzi (MDH)4-PEX5 complex | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Lipinski, O, Sonani, R.R, Blat, A, Jemiola-Rzeminska, M, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2024-05-19 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Cryo-EM structure of Trypanosoma cruzi (MDH)4-PEX5 complex To Be Published
|
|
8PRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pry by Molmil](/molmil-images/mine/8pry) | |
4XOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xoj by Molmil](/molmil-images/mine/4xoj) | Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1) | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, CALCIUM ION, ... | Authors: | Golik, P, Malicki, S, Grudnik, P, Karna, N, Debowski, D, Legowska, A, Wladyka, B, Gitlin, A, Brzozowski, K, Dubin, G, Rolka, K. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1). Chembiochem, 16, 2015
|
|
7QRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qrc by Molmil](/molmil-images/mine/7qrc) | X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor | Descriptor: | GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | Authors: | Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G. | Deposit date: | 2022-01-10 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma. Eur.J.Med.Chem., 243, 2022
|
|
4TRP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4trp by Molmil](/molmil-images/mine/4trp) | Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | Descriptor: | Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen | Authors: | Horwacik, I, Golik, P, Grudnik, P, Zdzalik, M, Rokita, H, Dubin, G. | Deposit date: | 2014-06-17 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody. Mol.Cell Proteomics, 14, 2015
|
|
7NRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nrz by Molmil](/molmil-images/mine/7nrz) | Crystal structure of malate dehydrogenase from Trypanosoma cruzi | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sonani, R.R, Kurpiewska, K, Lewinski, K, Dubin, G. | Deposit date: | 2021-03-04 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Distinct sequence and structural feature of trypanosoma malate dehydrogenase. Biochem.Biophys.Res.Commun., 557, 2021
|
|
4TUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tul by Molmil](/molmil-images/mine/4tul) | Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | Descriptor: | ACETATE ION, Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, ... | Authors: | Golik, P, Grudnik, P, Dubin, G, Zdzalik, M, Rokita, H, Horwacik, I. | Deposit date: | 2014-06-24 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody. Mol.Cell Proteomics, 14, 2015
|
|
4TUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tuj by Molmil](/molmil-images/mine/4tuj) | Crystal structure of monoclonal antibody against neuroblastoma associated antigen. | Descriptor: | Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, peptide1 | Authors: | Grudnik, P, Golik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G. | Deposit date: | 2014-06-24 | Release date: | 2015-07-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody. Mol.Cell Proteomics, 14, 2015
|
|