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3QIZ
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BU of 3qiz by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2
Descriptor: (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ...
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
3QJ0
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BU of 3qj0 by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3
Descriptor: (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ...
Authors:Thompson, A.A, Han, G.W, Stevens, R.C.
Deposit date:2011-01-28
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
2FE8
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BU of 2fe8 by Molmil
SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme
Descriptor: BROMIDE ION, Replicase polyprotein 1ab, SULFATE ION, ...
Authors:Ratia, K, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2005-12-15
Release date:2006-03-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Severe acute respiratory syndrome coronavirus papain-like protease: Structure of a viral deubiquitinating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
1XYR
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BU of 1xyr by Molmil
Poliovirus 135S cell entry intermediate
Descriptor: Genome polyprotein, Coat protein VP1, Coat protein VP2, ...
Authors:Bubeck, D, Filman, D.J, Cheng, N, Steven, A.C, Hogle, J.M, Belnap, D.M.
Deposit date:2004-11-10
Release date:2005-08-02
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (11 Å)
Cite:The structure of the poliovirus 135S cell entry intermediate at 10-angstrom resolution reveals the location of an externalized polypeptide that binds to membranes.
J.Virol., 79, 2005
6HQ6
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BU of 6hq6 by Molmil
Bacterial beta-1,3-oligosaccharide phosphorylase from GH149
Descriptor: 1,2-ETHANEDIOL, BICINE, Bacterial beta-1,3-oligosaccharide phosphorylase, ...
Authors:Kuhaudomlarp, S, Stevenson, C.E.M, Lawson, D.M, Field, R.A.
Deposit date:2018-09-24
Release date:2019-06-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of a GH149 beta-(1 → 3) glucan phosphorylase reveals a new surface oligosaccharide binding site and additional domains that are absent in the disaccharide-specific GH94 glucose-beta-(1 → 3)-glucose (laminaribiose) phosphorylase.
Proteins, 87, 2019
4QMD
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BU of 4qmd by Molmil
Crystal structure of human envoplakin plakin repeat domain
Descriptor: Envoplakin
Authors:Mohammed, F, Al-Jassar, C, White, S.A, Fogl, C, Jeeves, M, Knowles, T.J, Odinstova, E, Rodriguez-Zamora, P, Overduin, M, Chidgey, M.
Deposit date:2014-06-16
Release date:2015-07-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Mechanism of intermediate filament recognition by plakin repeat domains revealed by envoplakin targeting of vimentin.
Nat Commun, 7, 2016
8WWR
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BU of 8wwr by Molmil
Crystal structure of apo human dishevelled 2 (Dvl2) PDZ domain
Descriptor: Segment polarity protein dishevelled homolog DVL-2
Authors:Omble, A, Mahajan, S, Kulkarni, K.A.
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dishevelled2 activates WGEF via its interaction with a unique internal peptide motif of the GEF.
Commun Biol, 7, 2024
4BD9
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BU of 4bd9 by Molmil
Structure of the complex between SmCI and human carboxypeptidase A4
Descriptor: CARBOXYPEPTIDASE A4, CARBOXYPEPTIDASE INHIBITOR SMCI, ZINC ION
Authors:Alonso-del-Ribero, M, Reytor, M.L, Trejo, S.A, Chavez, M.A, Aviles, F.X, Reverter, D.
Deposit date:2012-10-05
Release date:2013-07-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Noncanonical Mechanism of Carboxypeptidase Inhibition Revealed by the Crystal Structure of the Tri-Kunitz Smci in Complex with Human Cpa4.
Structure, 21, 2013
2ONX
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BU of 2onx by Molmil
NNQQ peptide corresponding to residues 8-11 of yeast prion sup35 (alternate crystal form)
Descriptor: peptide corresponding to residues 8-11 of yeast prion sup35
Authors:Sawaya, M.R, Sambashivan, S, Nelson, R, Ivanova, M, Sievers, S.A, Apostol, M.I, Thompson, M.J, Balbirnie, M, Wiltzius, J.J, McFarlane, H, Madsen, A.O, Riekel, C, Eisenberg, D.
Deposit date:2007-01-24
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
4HON
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BU of 4hon by Molmil
Crystal structure of human JMJD2D/KDM4D in complex with an H3K9me3 peptide and 2-oxoglutarate
Descriptor: 1,3-PROPANDIOL, 2-OXOGLUTARIC ACID, Histone H3 Peptide, ...
Authors:Krishnan, S, Trievel, R.C.
Deposit date:2012-10-22
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structural and Functional Analysis of JMJD2D Reveals Molecular Basis for Site-Specific Demethylation among JMJD2 Demethylases.
Structure, 21, 2013
4XKX
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BU of 4xkx by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28
Descriptor: (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2015-01-12
Release date:2015-02-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
1KTK
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BU of 1ktk by Molmil
Complex of Streptococcal pyrogenic enterotoxin C (SpeC) with a human T cell receptor beta chain (Vbeta2.1)
Descriptor: Exotoxin type C, T-cell receptor beta chain
Authors:Sundberg, E.J, Li, H, Llera, A.S, McCormick, J.K, Tormo, J, Karjalainen, K, Schlievert, P.M, Mariuzza, R.A.
Deposit date:2002-01-16
Release date:2002-06-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of two streptococcal superantigens bound to TCR beta chains reveal diversity in the architecture of T cell signaling complexes.
Structure, 10, 2002
5O2P
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BU of 5o2p by Molmil
p130Cas SH3 domain PTP-PEST peptide chimera
Descriptor: Breast cancer anti-estrogen resistance 1,Tyrosine-protein phosphatase non-receptor type 12
Authors:Hexnerova, R, Veverka, V.
Deposit date:2017-05-22
Release date:2017-09-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners.
Sci Rep, 7, 2017
5O2Q
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BU of 5o2q by Molmil
p130Cas SH3 domain Vinculin peptide chimera
Descriptor: Breast cancer anti-estrogen resistance 1,Vinculin
Authors:Hexnerova, R, Veverka, V.
Deposit date:2017-05-22
Release date:2017-09-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners.
Sci Rep, 7, 2017
5O2M
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BU of 5o2m by Molmil
p130Cas SH3 domain
Descriptor: Breast cancer anti-estrogen resistance 1
Authors:Hexnerova, R, Veverka, V.
Deposit date:2017-05-22
Release date:2017-09-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural characterization of CAS SH3 domain selectivity and regulation reveals new CAS interaction partners.
Sci Rep, 7, 2017
5A1K
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BU of 5a1k by Molmil
Crystal structure of calcium-free human adseverin domains A1-A3
Descriptor: ADSEVERIN
Authors:Chumnarnsilpa, S, Robinson, R.C, Grimes, J.M, Leyrat, C.
Deposit date:2015-04-30
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Calcium-Controlled Conformational Choreography in the N-Terminal Half of Adseverin.
Nat.Commun., 6, 2015
5A1M
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BU of 5a1m by Molmil
Crystal structure of calcium-bound human adseverin domain A3
Descriptor: ADSEVERIN, CALCIUM ION
Authors:Chumnarnsilpa, S, Robinson, R.C, Grimes, J.M, Leyrat, C.
Deposit date:2015-05-01
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Calcium-Controlled Conformational Choreography in the N-Terminal Half of Adseverin.
Nat.Commun., 6, 2015
7M1A
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BU of 7m1a by Molmil
SusE-like protein BT2857
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Galactose-binding like protein
Authors:Suits, M.D.L.
Deposit date:2021-03-12
Release date:2021-04-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Analysis of Two SusE-Like Enzymes From Bacteroides thetaiotaomicron Reveals a Potential Degradative Capacity for This Protein Family.
Front Microbiol, 12, 2021
7M1B
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BU of 7m1b by Molmil
SusE-like protein BT2857
Descriptor: 1,2-ETHANEDIOL, Galactose-binding-like protein
Authors:Suits, M.D.L.
Deposit date:2021-03-12
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Analysis of Two SusE-Like Enzymes From Bacteroides thetaiotaomicron Reveals a Potential Degradative Capacity for This Protein Family.
Front Microbiol, 12, 2021
1R44
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BU of 1r44 by Molmil
Crystal Structure of VanX
Descriptor: D-alanyl-D-alanine dipeptidase, ZINC ION
Authors:Pratt, S.D, Katz, L, Severin, J.M, Holzman, T, Park, C.H.
Deposit date:2003-10-03
Release date:2004-06-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Structure of VanX Reveals a Novel Amino-Dipeptidase Involved in Mediating Transposon-Based Vancomycin Resistance
Mol.Cell, 2, 1998
4DDX
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BU of 4ddx by Molmil
Thermotoga maritima reverse gyrase, primitive monoclinic form
Descriptor: Reverse gyrase, ZINC ION
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2012-01-19
Release date:2012-12-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.17 Å)
Cite:Crystal structures of Thermotoga maritima reverse gyrase: inferences for the mechanism of positive DNA supercoiling.
Nucleic Acids Res., 41, 2013
4DDU
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BU of 4ddu by Molmil
Thermotoga maritima reverse gyrase, C2 FORM 1
Descriptor: Reverse gyrase, ZINC ION
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2012-01-19
Release date:2012-12-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of Thermotoga maritima reverse gyrase: inferences for the mechanism of positive DNA supercoiling.
Nucleic Acids Res., 41, 2013
2FYG
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BU of 2fyg by Molmil
Crystal structure of NSP10 from Sars coronavirus
Descriptor: GLYCEROL, Replicase polyprotein 1ab, ZINC ION
Authors:Joseph, J.S, Saikatendu, K.S, Subramanian, V, Neuman, B.W, Brooun, A, Griffith, M, Moy, K, Yadav, M.K, Velasquez, J, Buchmeier, M.J, Stevens, R.C, Kuhn, P.
Deposit date:2006-02-07
Release date:2006-08-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of nonstructural protein 10 from the severe acute respiratory syndrome coronavirus reveals a novel fold with two zinc-binding motifs.
J.Virol., 80, 2006
2CY6
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BU of 2cy6 by Molmil
Crystal structure of ConM in complex with trehalose and maltose
Descriptor: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
Authors:Cavada, B.S, Azevedo Jr, W.F, Delatorre, P, Rocha, B.A.M, Souza, E.P, Gadelha, C.A.A.
Deposit date:2005-07-05
Release date:2006-06-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a lectin from Canavalia maritima (ConM) in complex with trehalose and maltose reveals relevant mutation in ConA-like lectins
J.Struct.Biol., 154, 2006
2CYF
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BU of 2cyf by Molmil
The Crystal Structure of Canavalia Maritima Lectin (ConM) in Complex with Trehalose and Maltose
Descriptor: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
Authors:Delatorre, P, Rocha, B.A.M, Sousa, E.P, Gadelha, C.A.A, Azevedo Jr, W.F, Cavada, B.S.
Deposit date:2005-07-06
Release date:2006-06-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a lectin from Canavalia maritima (ConM) in complex with trehalose and maltose reveals relevant mutation in ConA-like lectins
J.Struct.Biol., 154, 2006

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