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2VID
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BU of 2vid by Molmil
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
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BU of 1oh1 by Molmil
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
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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
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
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
2W7U
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BU of 2w7u by Molmil
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
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BU of 2w7s by Molmil
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
2AS9
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BU of 2as9 by Molmil
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
7QRC
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BU of 7qrc by Molmil
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
7QOZ
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BU of 7qoz by Molmil
Crystal structure of NAD-bound glycosomal malate dehydrogenase from Trypanosoma cruzi
Descriptor: GLYCEROL, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sonani, R.R, Dubin, G.
Deposit date:2021-12-30
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of NAD-bound glycosomal malate dehydrogenase from Trypanosoma cruzi
To Be Published
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
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
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
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
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
4TRP
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BU of 4trp by Molmil
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
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
7Q86
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BU of 7q86 by Molmil
Crystal structure of human peroxisomal acyl-Co-A oxidase 1a, FAD-bound-form
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Isoform 2 of Peroxisomal acyl-coenzyme A oxidase 1
Authors:Sonani, R.R, Blat, A, Dubin, G.
Deposit date:2021-11-10
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structures of apo- and FAD-bound human peroxisomal acyl-CoA oxidase provide mechanistic basis explaining clinical observations.
Int.J.Biol.Macromol., 205, 2022
7Q84
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BU of 7q84 by Molmil
Crystal structure of human peroxisomal acyl-Co-A oxidase 1a, apo-form
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sonani, R.R, Blat, A, Dubin, G.
Deposit date:2021-11-10
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of apo- and FAD-bound human peroxisomal acyl-CoA oxidase provide mechanistic basis explaining clinical observations.
Int.J.Biol.Macromol., 205, 2022
7Z35
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BU of 7z35 by Molmil
Crystal structure of PEX13 SH3 domain of Trypanosoma cruzi
Descriptor: Putative peroxin 13
Authors:Sonani, R.R, Dubin, G.
Deposit date:2022-03-01
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of PEX13 SH3 domain of Trypanosoma cruzi
To Be Published
8P61
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BU of 8p61 by Molmil
Crystal structure of O'nyong'nyong virus capsid protease (106-256)
Descriptor: Capsid protein, GLYCEROL, SULFATE ION
Authors:Plewka, J, Chykunova, Y, Wilk, P, Sienczyk, M, Dubin, G, Pyrc, K.
Deposit date:2023-05-24
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Autoinhibition of suicidal capsid protease from O'nyong'nyong virus.
Int.J.Biol.Macromol., 262, 2024
7NRZ
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BU of 7nrz by Molmil
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
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BU of 4tul by Molmil
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
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BU of 4tuj by Molmil
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

 

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數據於2024-05-01公開中

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