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4XOJ
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BU of 4xoj by Molmil
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
8OIG
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BU of 8oig by Molmil
Crystal Structure of Staphopain C from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:McEwen, A.G, Magoch, M, Napolitano, V, Dubin, G, Wladyka, B.
Deposit date:2023-03-22
Release date:2023-06-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of Staphopain C from Staphylococcus aureus.
Molecules, 28, 2023
6GVX
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BU of 6gvx by Molmil
Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C)
Descriptor: 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Maternal embryonic leucine zipper kinase
Authors:Golik, P, Rembacz, K.P, Zrubek, K, Romanowska, M, Bugusz, J, Wladyka, B, Dubin, G.
Deposit date:2018-06-21
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C).
Arch.Biochem.Biophys., 671, 2019
4MVN
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BU of 4mvn by Molmil
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
5LWC
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BU of 5lwc by Molmil
NMR solution structure of bacteriocin BacSp222 from Staphylococcus pseudintermedius 222
Descriptor: Bacteriocin BacSp222
Authors:Nowakowski, M.E, Ejchart, A.O, Jaremko, L, Wladyka, B, Mak, P.
Deposit date:2016-09-15
Release date:2017-10-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Spatial attributes of the four-helix bundle group of bacteriocins - The high-resolution structure of BacSp222 in solution.
Int.J.Biol.Macromol., 107, 2018
4INK
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BU of 4ink by Molmil
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
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BU of 4inl by Molmil
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
4K1T
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BU of 4k1t by Molmil
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
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BU of 4k1s by Molmil
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
6YCR
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BU of 6ycr by Molmil
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
5EPW
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BU of 5epw by Molmil
C-Terminal Domain Of Human Coronavirus Nl63 Nucleocapsid Protein
Descriptor: Nucleoprotein
Authors:Szelazek, B, Kabala, W, Kus, K, Zdzalik, M, Golik, P, Florek, D, Burmistrz, M, Pyrc, K, Dubin, G.
Deposit date:2015-11-12
Release date:2017-02-22
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Characterization of Human Coronavirus NL63 N Protein.
J. Virol., 91, 2017
5N4K
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BU of 5n4k by Molmil
N-terminal domain of a human Coronavirus NL63 nucleocapsid protein
Descriptor: Nucleoprotein, SULFATE ION
Authors:Zdzalik, M, Szelazek, B, Kabala, W, Golik, P, Burmistrz, M, Florek, D, Kus, K, Pyrc, K, Dubin, G.
Deposit date:2017-02-10
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Characterization of Human Coronavirus NL63 N Protein.
J. Virol., 91, 2017
6SF7
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BU of 6sf7 by Molmil
Atomic resolution structure of SplF protease from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Golik, P, Stach, N, Karim, A, Dubin, G.
Deposit date:2019-08-01
Release date:2021-03-03
Last modified:2021-03-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Determinants of Substrate Specificity of SplF Protease from Staphylococcus aureus .
Int J Mol Sci, 22, 2021
3UFA
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BU of 3ufa by Molmil
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
5O12
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BU of 5o12 by Molmil
Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
Descriptor: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, IMIDAZOLE, Serine/threonine-protein kinase pim-1
Authors:Dubin, G, Bogusz, J.
Deposit date:2017-05-17
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Sci Rep, 7, 2017
5O11
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BU of 5o11 by Molmil
Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Bogusz, J, Dubin, G.
Deposit date:2017-05-17
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Sci Rep, 7, 2017
5O13
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BU of 5o13 by Molmil
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
5MM8
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BU of 5mm8 by Molmil
Atomic resolution structure of SplE protease from Staphylococcus aureus
Descriptor: ACETATE ION, Serine protease SplE
Authors:Stach, N, Zdzalik, M, Dubin, G.
Deposit date:2016-12-08
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unique Substrate Specificity of SplE Serine Protease from Staphylococcus aureus.
Structure, 26, 2018

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