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8TSI
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BU of 8tsi by Molmil
S. thermodepolymerans KpsMT-KpsE in complex with ADP:AlF4-
Descriptor: ABC transporter ATP-binding protein, ADENOSINE-5'-DIPHOSPHATE, Capsular biosynthesis protein, ...
Authors:Kuklewicz, J, Zimmer, J.
Deposit date:2023-08-11
Release date:2024-04-17
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Molecular insights into capsular polysaccharide secretion.
Nature, 628, 2024
8TSH
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BU of 8tsh by Molmil
S. thermodepolymerans KpsMT(E151Q)-KpsE in complex with ATP
Descriptor: ABC transporter ATP-binding protein, ADENOSINE-5'-TRIPHOSPHATE, Capsular biosynthesis protein, ...
Authors:Kuklewicz, J, Zimmer, J.
Deposit date:2023-08-11
Release date:2024-04-17
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular insights into capsular polysaccharide secretion.
Nature, 628, 2024
8TSW
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BU of 8tsw by Molmil
S. thermodepolymerans KpsMT-KpsE Apo 1
Descriptor: ABC transporter ATP-binding protein, Capsular biosynthesis protein, Transport permease protein
Authors:Kuklewicz, J, Zimmer, J.
Deposit date:2023-08-12
Release date:2024-04-17
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular insights into capsular polysaccharide secretion.
Nature, 628, 2024
8TT3
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BU of 8tt3 by Molmil
S. thermodepolymerans KpsM-KpsE in Glycolipid 2 state with rigid body fitted KpsT
Descriptor: (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid, ABC transporter ATP-binding protein, Capsular biosynthesis protein, ...
Authors:Kuklewicz, J, Zimmer, J.
Deposit date:2023-08-12
Release date:2024-04-17
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular insights into capsular polysaccharide secretion.
Nature, 628, 2024
8TSL
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BU of 8tsl by Molmil
S. thermodepolymerans KpsM-KpsE in Apo 2 state with rigid body fitted KpsT
Descriptor: ABC transporter ATP-binding protein, Capsular biosynthesis protein, Transport permease protein
Authors:Kuklewicz, J, Zimmer, J.
Deposit date:2023-08-11
Release date:2024-04-17
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular insights into capsular polysaccharide secretion.
Nature, 628, 2024
8TUN
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BU of 8tun by Molmil
S. thermodepolymerans KpsM-KpsE in Glycolipid 1 state with rigid body fitted KpsT
Descriptor: (2R,5S,8S)-2,5-dihydroxy-5,10-dioxo-8-[(undecanoyloxy)methyl]-4,6,9-trioxa-5lambda~5~-phosphahenicosan-1-yl 3-deoxy-alpha-L-altro-oct-2-ulopyranosidonic acid, ABC transporter ATP-binding protein, Capsular biosynthesis protein, ...
Authors:Kuklewicz, J, Zimmer, J.
Deposit date:2023-08-16
Release date:2024-04-17
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular insights into capsular polysaccharide secretion.
Nature, 628, 2024
9EO0
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BU of 9eo0 by Molmil
Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1
Descriptor: Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide
Authors:Plewka, J, Hec, A, Sitar, T, Holak, T.
Deposit date:2024-03-14
Release date:2024-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
8P1O
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BU of 8p1o by Molmil
Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives
Descriptor: (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ...
Authors:Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A.
Deposit date:2023-05-12
Release date:2024-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
9ERY
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BU of 9ery by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
Descriptor: 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION
Authors:Plewka, J, Magiera-Mularz, K, Zhang, W.
Deposit date:2024-03-25
Release date:2024-07-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors.
Eur.J.Med.Chem., 276, 2024
8P64
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BU of 8p64 by Molmil
Co-crystal structure of PD-L1 with low molecular weight inhibitor
Descriptor: Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine
Authors:Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A.
Deposit date:2023-05-25
Release date:2024-03-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.312 Å)
Cite:1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists.
Rsc Med Chem, 15, 2024
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
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Autoinhibition of suicidal capsid protease from O'nyong'nyong virus.
Int.J.Biol.Macromol., 262, 2024
8R6Q
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BU of 8r6q by Molmil
Co-crystal structure of PD-L1 with low molecular weight inhibitor
Descriptor: (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ...
Authors:Plewka, J, Surmiak, E, Magiera-Mularz, K, Kalinowska-Tluscik, J.
Deposit date:2023-11-22
Release date:2024-01-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
1EJM
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BU of 1ejm by Molmil
CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN
Descriptor: BETA-TRYPSIN, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION
Authors:Otlewski, J, Smalas, A, Helland, R, Grzesiak, A, Krowarsch, D.
Deposit date:2000-03-03
Release date:2001-03-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substitutions at the P(1) position in BPTI strongly affect the association energy with serine proteinases.
J.Mol.Biol., 301, 2000
9EWM
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BU of 9ewm by Molmil
Mpro from SARS-CoV-2 with R4Q R298Q double mutations
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K.
Deposit date:2024-04-04
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9EWN
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BU of 9ewn by Molmil
Mpro from SARS-CoV-2 with 4Q mutation
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Czarna, A, Kantyka, T, Pyrc, K.
Deposit date:2024-04-04
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9EWO
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BU of 9ewo by Molmil
Mpro from SARS-CoV-2 with R4A R298A double mutations
Descriptor: Non-structural protein 11, SULFATE ION
Authors:Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K.
Deposit date:2024-04-04
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9EPL
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BU of 9epl by Molmil
Mpro from SARS-CoV-2 with 298Q mutation
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ...
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-18
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9EUS
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BU of 9eus by Molmil
Mpro from SARS-CoV-2 with R298A mutation
Descriptor: GLYCEROL, Replicase polyprotein 1a
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-28
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9EUR
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BU of 9eur by Molmil
Mpro WT from SARS-CoV-2 with 298Q mutation
Descriptor: Replicase polyprotein 1a
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-28
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9EPM
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BU of 9epm by Molmil
Mpro from SARS-CoV-2 with 4A mutation
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-19
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
2GHI
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BU of 2ghi by Molmil
Crystal Structure of Plasmodium yoelii Multidrug Resistance Protein 2
Descriptor: SULFATE ION, transport protein
Authors:Dong, A, Gao, M, Choe, J, Zhao, Y, Lew, J, Wasney, G, Alam, Z, Melone, M, Kozieradzki, I, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2006-03-27
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2FO3
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BU of 2fo3 by Molmil
Plasmodium vivax ubiquitin conjugating enzyme E2
Descriptor: Ubiquitin-conjugating enzyme
Authors:Dong, A, Zhao, Y, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2006-01-12
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2FU0
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BU of 2fu0 by Molmil
Plasmodium falciparum cyclophilin PFE0505w putative cyclosporin-binding domain
Descriptor: cyclophilin, putative
Authors:Dong, A, Lew, J, Sundararajan, E, Zhao, Y, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2006-01-25
Release date:2006-02-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
2QG7
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BU of 2qg7 by Molmil
Plasmodium vivax ethanolamine kinase Pv091845
Descriptor: SULFATE ION, ethanolamine kinase Pv091845
Authors:Lunin, V.V, Wernimont, A.K, Mulichak, A, Lew, J, Wasney, G, Senisterra, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Hills, T, Artz, J, Xiao, T, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Plasmodium vivax ethanolamine kinase Pv091845
TO BE PUBLISHED
3C5I
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BU of 3c5i by Molmil
Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520
Descriptor: CALCIUM ION, CHOLINE ION, Choline kinase, ...
Authors:Wernimont, A.K, Hills, T, Lew, J, Wasney, G, Senesterra, G, Kozieradzki, I, Cossar, D, Vedadi, M, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
Deposit date:2008-01-31
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520.
To be Published

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