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4IPV
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BU of 4ipv by Molmil
Crystal structure of Pseudomonas aeruginosa (strain: PAO1) type IV minor pilin FimU in space group P65
Descriptor: FimU protein
Authors:Nguyen, Y, Sugiman-Marangos, S.N, Bell, S, Junop, M.S, Burrows, L.L.
Deposit date:2013-01-10
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Minor pilin FimU controls P. aeruginosa type IV pilus extension/retraction dynamics independently of other minor components
To be Published
4IPU
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BU of 4ipu by Molmil
Crystal structure of Pseudomonas aeruginosa (strain: PAO1) type IV minor pilin FimU in space group P21
Descriptor: FimU protein
Authors:Nguyen, Y, Sugiman-Marangos, S.N, Bell, S, Junop, M.S, Burrows, L.L.
Deposit date:2013-01-10
Release date:2014-01-15
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Role of minor pilins in Pseudomonas aeruginosa type IV pilus dynamics
To be Published
4NOA
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BU of 4noa by Molmil
Truncated minor pilin PilE from Pseudomonas aeruginosa
Descriptor: Type 4 fimbrial biogenesis protein PilE
Authors:Nguyen, Y, Sugiman-Marangos, S.N, Bell, S, Junop, M.S, Burrows, L.L.
Deposit date:2013-11-19
Release date:2014-11-19
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of truncated minor pilin PilE from Pseudomonas aeruginosa
To be Published
4QRT
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BU of 4qrt by Molmil
Crystal Structure of HLA B*0801 in complex with ELN_YYM, ELNRKMIYM
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Twist, K.-A, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-07-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
4QRU
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BU of 4qru by Molmil
Crystal Structure of HLA B*0801 in complex with ELR_MYM, ELRRKMMYM
Descriptor: 55 kDa immediate-early protein 1, ACETATE ION, Beta-2-microglobulin, ...
Authors:Gras, S, Twist, K.-A, Rossjohn, J.
Deposit date:2014-07-02
Release date:2015-02-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
4QRS
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BU of 4qrs by Molmil
Crystal Structure of HLA B*0801 in complex with ELK_IYM, ELKRKMIYM
Descriptor: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Twist, K.-A, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-12-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
5V03
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BU of 5v03 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Descriptor: CALCIUM ION, Calmodulin, N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine, ...
Authors:Liu, S.
Deposit date:2017-02-28
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018
5V02
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BU of 5v02 by Molmil
A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA
Descriptor: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, CALCIUM ION, Calmodulin-1, ...
Authors:Liu, S.
Deposit date:2017-02-28
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Structure, 26, 2018
8QU8
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BU of 8qu8 by Molmil
PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1
Descriptor: (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Fischer, G, Peter, D, Arce-Solano, S.
Deposit date:2023-10-14
Release date:2023-12-06
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QW6
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BU of 8qw6 by Molmil
Crystal Structure of compound 3 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB
Descriptor: (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Zollman, D, Farnaby, W, Ciulli, A.
Deposit date:2023-10-18
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QW7
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BU of 8qw7 by Molmil
Crystal Structure of compound 4 in complex with KRAS G12V C118S GDP and pVHL:ElonginC:ElonginB
Descriptor: (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Zollman, D, Farnaby, W, Ciulli, A.
Deposit date:2023-10-18
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QUG
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BU of 8qug by Molmil
KRAS-G12C in Complex with Compound 1
Descriptor: (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fischer, G, Kratochvil, B.
Deposit date:2023-10-16
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
8QVU
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BU of 8qvu by Molmil
Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex
Descriptor: (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A.
Deposit date:2023-10-18
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Targeting cancer with small molecule pan-KRAS degraders
Biorxiv, 2023
6T3I
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BU of 6t3i by Molmil
Solution structure of the HRP2 IBD
Descriptor: Hepatoma-derived growth factor-related protein 2
Authors:Veverka, V.
Deposit date:2019-10-11
Release date:2020-11-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Unlike Its Paralog LEDGF/p75, HRP-2 Is Dispensable for MLL-R Leukemogenesis but Important for Leukemic Cell Survival.
Cells, 10, 2021
6EMO
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BU of 6emo by Molmil
Solution structure of the LEDGF/p75 IBD - JPO2 (aa 1-32) complex
Descriptor: PC4 and SFRS1-interacting protein,LEDGF/p75 IBD-JPO2 M1
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-07-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EMR
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BU of 6emr by Molmil
Solution structure of the LEDGF/p75 IBD - IWS1 (aa 446-548) complex
Descriptor: PC4 and SFRS1-interacting protein,Protein IWS1 homolog
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-07-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EMQ
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BU of 6emq by Molmil
Solution structure of the LEDGF/p75 IBD - MLL1 (aa 111-160) complex
Descriptor: PC4 and SFRS1-interacting protein,Histone-lysine N-methyltransferase 2A
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-08-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EMP
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BU of 6emp by Molmil
Solution structure of the LEDGF/p75 IBD - POGZ (aa 1370-1404) complex
Descriptor: PC4 and SFRS1-interacting protein,Pogo transposable element with ZNF domain
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-07-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YI9
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BU of 5yi9 by Molmil
Solution structure of the LEDGF/p75 IBD - JPO2 (aa 56-91) complex
Descriptor: PC4 and SFRS1-interacting protein,Cell division cycle-associated 7-like protein
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-08-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1AJD
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BU of 1ajd by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor: ALKALINE PHOSPHATASE INTERMEDIATE II OF HOLO ENZYME, MAGNESIUM ION, ZINC ION
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-08-18
Release date:1995-11-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJA
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BU of 1aja by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor: ALKALINE PHOSPHATASE
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-08-19
Release date:1995-11-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJC
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BU of 1ajc by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, ZINC ION
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-07-18
Release date:1995-11-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJB
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BU of 1ajb by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ...
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-08-19
Release date:1995-11-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:3-D structure of the D153G mutant of Escherichia coli alkaline phosphatase: an enzyme with weaker magnesium binding and increased catalytic activity.
Protein Eng., 8, 1995
5YQA
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BU of 5yqa by Molmil
The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
Descriptor: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T.
Deposit date:2017-11-06
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
To Be Published
5YQH
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BU of 5yqh by Molmil
The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
Descriptor: 4-methoxybenzamide, CHLORIDE ION, Cytochrome P450, ...
Authors:Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T.
Deposit date:2017-11-06
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
To Be Published

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