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5UIW
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BU of 5uiw by Molmil
Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, C-C chemokine receptor type 5,Rubredoxin chimera, C-C motif chemokine 5, ...
Authors:Zheng, Y, Qin, L, Han, G.W, Gustavsson, M, Kawamura, T, Stevens, R.C, Cherezov, V, Kufareva, I, Handel, T.M.
Deposit date:2017-01-15
Release date:2017-06-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structure of CC Chemokine Receptor 5 with a Potent Chemokine Antagonist Reveals Mechanisms of Chemokine Recognition and Molecular Mimicry by HIV.
Immunity, 46, 2017
3QIY
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BU of 3qiy by Molmil
Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1
Descriptor: 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, 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 (2.3 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
3QIX
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BU of 3qix by Molmil
Crystal Structure of BoNT/A LC with Zinc bound
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION
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 (2.413 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
6XNR
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BU of 6xnr by Molmil
Crystal structure of Rhagium Mordax antifreeze protein
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein
Authors:Ye, Q, Eves, R, Campbell, R.L, Davies, P.L.
Deposit date:2020-07-04
Release date:2020-08-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of an insect antifreeze protein reveals ordered waters on the ice-binding surface.
Biochem.J., 477, 2020
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
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
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
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
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
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
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
6BQG
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BU of 6bqg by Molmil
Crystal structure of 5-HT2C in complex with ergotamine
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine
Authors:Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
6BQH
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BU of 6bqh by Molmil
Crystal structure of 5-HT2C in complex with ritanserin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ...
Authors:Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z.
Deposit date:2017-11-27
Release date:2018-02-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
2KPP
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BU of 2kpp by Molmil
Solution NMR structure of Lin0431 protein from Listeria innocua. Northeast Structural Genomics Consortium Target LkR112
Descriptor: Lin0431 protein
Authors:Tang, Y, Xiao, R, Ciccosanti, C, Janjua, H, Lee, D.Y, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-10-18
Release date:2010-02-23
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of Lin0431 protein from Listeria innocua reveals high structural similarity with domain II of bacterial transcription antitermination protein NusG.
Proteins, 78, 2010
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
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
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
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
6FFA
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BU of 6ffa by Molmil
FMDV Leader protease bound to substrate ISG15
Descriptor: GLYCEROL, Lbpro, SULFATE ION, ...
Authors:Swatek, K.N, Pruneda, J.N, Komander, D.
Deposit date:2018-01-05
Release date:2018-02-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Irreversible inactivation of ISG15 by a viral leader protease enables alternative infection detection strategies.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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
4GEZ
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BU of 4gez by Molmil
Structure of a neuraminidase-like protein from A/bat/Guatemala/164/2009
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yang, H, Carney, P.J, Donis, R.O, Stevens, J.
Deposit date:2012-08-02
Release date:2012-09-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site.
Proc.Natl.Acad.Sci.USA, 109, 2012
2KH2
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BU of 2kh2 by Molmil
Solution structure of a scFv-IL-1B complex
Descriptor: Interleukin-1 beta, scFv
Authors:Wilkinson, I.C, Hall, C.J, Veverka, V, Muskett, F.W, Stephens, P.E, Taylor, R.J, Henry, A.J, Carr, M.D.
Deposit date:2009-03-23
Release date:2009-09-08
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:High resolution NMR-based model for the structure of a scFv-IL-1beta complex: potential for NMR as a key tool in therapeutic antibody design and development.
J.Biol.Chem., 284, 2009

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