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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
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
4HOO
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BU of 4hoo by Molmil
Crystal structure of human JMJD2D/KDM4D apoenzyme
Descriptor: ACETATE ION, Lysine-specific demethylase 4D, NICKEL (II) ION, ...
Authors:Krishnan, S, Trievel, R.C.
Deposit date:2012-10-22
Release date:2012-11-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Structural and Functional Analysis of JMJD2D Reveals Molecular Basis for Site-Specific Demethylation among JMJD2 Demethylases.
Structure, 21, 2013
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
8CRL
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BU of 8crl by Molmil
Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
Deposit date:2023-03-08
Release date:2023-06-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CRI
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BU of 8cri by Molmil
Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LIPOIC ACID, ...
Authors:Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
Deposit date:2023-03-08
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CRJ
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BU of 8crj by Molmil
Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes)
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, ...
Authors:Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
Deposit date:2023-03-08
Release date:2023-06-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
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
1WE2
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BU of 1we2 by Molmil
Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with MGADP and shikimic acid
Descriptor: 3-DEHYDROSHIKIMATE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Pereira, J.H, de Oliveira, J.S, Canduri, F, Dias, M.V, Palma, M.S, Basso, L.A, Santos, D.S, de Azevedo Jr, W.F.
Deposit date:2004-05-22
Release date:2005-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of shikimate kinase from Mycobacterium tuberculosis reveals the binding of shikimic acid.
Acta Crystallogr.,Sect.D, 60, 2004
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
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
8YR7
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BU of 8yr7 by Molmil
Crystal structure of human dishevelled 2 (Dvl2) PDZ domain fused with WGEF internal peptide motif
Descriptor: Segment polarity protein dishevelled homolog DVL-2,Rho guanine nucleotide exchange factor 19
Authors:Omble, A, Mahajan, S, Kulkarni, K.A.
Deposit date:2024-03-20
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Dishevelled2 activates WGEF via its interaction with a unique internal peptide motif of the GEF.
Commun Biol, 7, 2024
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
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
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
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
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
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
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
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
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
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
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

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