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6G5G
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BU of 6g5g by Molmil
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
Deposit date:2018-03-29
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6G5F
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BU of 6g5f by Molmil
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1
Descriptor: Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ...
Authors:Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
Deposit date:2018-03-29
Release date:2019-01-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6G5K
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BU of 6g5k by Molmil
Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1
Descriptor: Botulinum neurotoxin type B, Synaptotagmin-1
Authors:Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
Deposit date:2018-03-29
Release date:2019-01-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
8BYP
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BU of 8byp by Molmil
Botulinum neurotoxin serotype X in complex with NTNH/X
Descriptor: Botulinum neurotoxin type X, NTNH/X
Authors:Martinez-Carranza, M, Skerlova, J, Stenmark, P.
Deposit date:2022-12-15
Release date:2023-02-08
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structure and activity of botulinum neurotoxin X.
Biorxiv, 2023
8QFT
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BU of 8qft by Molmil
X-ray structure of non-toxic non-hemagglutinin (NTNH) protein from botulinum neurotoxin serotype X
Descriptor: non-toxic non-hemagglutinin protein X
Authors:Skerlova, J, Masuyer, G, Stenmark, P.
Deposit date:2023-09-04
Release date:2024-08-14
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Activity of botulinum neurotoxin X and its structure when shielded by a non-toxic non-hemagglutinin protein.
Commun Chem, 7, 2024
6XQA
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BU of 6xqa by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2020-07-09
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
3KXM
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BU of 3kxm by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74
Descriptor: Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXG
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BU of 3kxg by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
Descriptor: 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3T6P
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BU of 3t6p by Molmil
IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization
Descriptor: Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J.
Deposit date:2011-07-28
Release date:2011-11-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination.
Science, 334, 2011
3KXH
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BU of 3kxh by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66)
Descriptor: Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXN
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BU of 3kxn by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88)
Descriptor: 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:QCRG Structural Biology Consortium
Deposit date:2020-10-09
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
7JYU
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BU of 7jyu by Molmil
Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Nguyen, A.T, Szeto, C, Rossjohn, J, Gras, S.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
7JYW
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BU of 7jyw by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWIIRNW, an 9-mer influenza epitope
Descriptor: Beta-2-microglobulin, CALCIUM ION, MHC class I antigen, ...
Authors:Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
7JYV
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BU of 7jyv by Molmil
Crystal Structure of HLA A*2402 in complex with YFSPIRVTF, an 9-mer influenza epitope
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
7JYX
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BU of 7jyx by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWIIRNWET, an 11-mer epitope from Influenza
Descriptor: Beta-2-microglobulin, MHC class I antigen, PB2 peptide from Influenza, ...
Authors:Gras, S, Nguyen, A.T, Szeto, C, Rossjohn, J.
Deposit date:2020-09-01
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
3FL5
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BU of 3fl5 by Molmil
Protein kinase CK2 in complex with the inhibitor Quinalizarin
Descriptor: 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER
Authors:Mazzorana, M, Franchin, C, Battistutta, R.
Deposit date:2008-12-18
Release date:2009-08-18
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2
Biochem.J., 421, 2009
3PVG
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BU of 3pvg by Molmil
Crystal structure of Z. mays CK2 alpha subunit in complex with the inhibitor 4,5,6,7-tetrabromo-1-carboxymethylbenzimidazole (K68)
Descriptor: (4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2010-12-07
Release date:2010-12-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3PE1
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BU of 3pe1 by Molmil
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
Deposit date:2010-10-25
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
3PE2
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BU of 3pe2 by Molmil
Crystal structure of human protein kinase CK2 in complex with the inhibitor CX-5011
Descriptor: 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
Deposit date:2010-10-25
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
3R0T
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BU of 3r0t by Molmil
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279
Descriptor: 1,2-ETHANEDIOL, 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
Deposit date:2011-03-09
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
3CXK
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BU of 3cxk by Molmil
1.7 A Crystal structure of methionine-R-sulfoxide reductase from Burkholderia pseudomallei: crystallization in a microfluidic crystal card.
Descriptor: ACETATE ION, Methionine-R-sulfoxide reductase, ZINC ION
Authors:Lovell, S, Gerdts, C, Staker, B, Craigen, D, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-04-24
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The plug-based nanovolume Microcapillary Protein Crystallization System (MPCS).
Acta Crystallogr.,Sect.D, 64, 2008
1OM1
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BU of 1om1 by Molmil
Crystal structure of maize CK2 alpha in complex with IQA
Descriptor: (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID, Casein kinase II, alpha chain
Authors:Battistutta, R, De Moliner, E, Zanotti, G.
Deposit date:2003-02-24
Release date:2004-02-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Biochemical and three-dimensional-structural study of the specific inhibition of protein kinase CK2 by [5-oxo-5,6-dihydroindolo-(1,2-a)quinazolin-7-yl]acetic acid (IQA).
Biochem.J., 374, 2003
2LMF
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BU of 2lmf by Molmil
Solution structure of human LL-23 bound to membrane-mimetic micelles
Descriptor: Antibacterial protein LL-37
Authors:Wang, G.
Deposit date:2011-11-30
Release date:2011-12-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure, Dynamics, and Antimicrobial and Immune Modulatory Activities of Human LL-23 and Its Single-Residue Variants Mutated on the Basis of Homologous Primate Cathelicidins.
Biochemistry, 51, 2012
1CHC
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BU of 1chc by Molmil
STRUCTURE OF THE C3HC4 DOMAIN BY 1H-NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; A NEW STRUCTURAL CLASS OF ZINC-FINGER
Descriptor: EQUINE HERPES VIRUS-1 RING DOMAIN, ZINC ION
Authors:Barlow, P.N, Everett, R.D, Luisi, B.
Deposit date:1994-02-02
Release date:1994-04-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the C3HC4 domain by 1H-nuclear magnetic resonance spectroscopy. A new structural class of zinc-finger.
J.Mol.Biol., 237, 1994

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