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1ZM5
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BU of 1zm5 by Molmil
Conjugative Relaxase TRWC in complex with ORIT dna, cooper-bound structure
Descriptor: COPPER (II) ION, DNA (25-MER), SULFATE ION, ...
Authors:Boer, R, Russi, S, Guasch, A, Lucas, M, Blanco, A.G, Coll, M, de la Cruz, F.
Deposit date:2005-05-10
Release date:2006-04-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unveiling the Molecular Mechanism of a Conjugative Relaxase: The Structure of TrwC Complexed with a 27-mer DNA Comprising the Recognition Hairpin and the Cleavage Site
J.Mol.Biol., 358, 2006
2CDM
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BU of 2cdm by Molmil
The structure of TrwC complexed with a 27-mer DNA comprising the recognition hairpin and the cleavage site
Descriptor: 5'-D(*GP*CP*GP*CP*AP*CP*CP*GP*AP*AP *AP*GP*GP*TP*GP*CP*GP*TP*AP*TP*TP*GP*TP*CP*TP*AP*T)-3', SULFATE ION, TRWC
Authors:Boer, R, Russi, S, Guasch, A, Lucas, M, Blanco, A.G, Perez-Luque, R, Coll, M, de la Cruz, F.
Deposit date:2006-01-25
Release date:2006-07-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unveiling the Molecular Mechanism of a Conjugative Relaxase: The Structure of Trwc Complexed with a 27-mer DNA Comprising the Recognition Hairpin and the Cleavage Site.
J.Mol.Biol., 358, 2006
3NW2
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BU of 3nw2 by Molmil
Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights
Descriptor: 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Graedler, U, Fuchss, T, Ulrich, W.R, Boer, R, Strub, A, Hesslinger, C, Anezo, C, Diederichs, K, Zaliani, A.
Deposit date:2010-07-09
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights
Bioorg.Med.Chem.Lett., 21, 2011
4WNQ
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BU of 4wnq by Molmil
THE MOLECULAR BASES OF DELTA/ALPHA-BETA T-CELL MEDIATED ANTIGEN RECOGNITION
Descriptor: TCR Variable Beta 2 (TRBV20) chain and TCR constant Beta chain, TCR Variable Delta 1 chain and TCR constant Alpha chain
Authors:Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I.
Deposit date:2014-10-14
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
4WO4
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BU of 4wo4 by Molmil
The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition.
Descriptor: (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I.
Deposit date:2014-10-15
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
2ET0
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BU of 2et0 by Molmil
The structure of a three-way DNA junction in complex with a metallo-supramolecular helicate reveals a new target for drugs
Descriptor: 5'-D(*CP*GP*TP*AP*CP*G)-3', FE (II) ION, N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
Authors:Oleksi, A, Blanco, A.G, Boer, R, Uson, I, Aymami, J, Coll, M.
Deposit date:2005-10-27
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Recognition of a Three-Way DNA Junction by a Metallosupramolecular Helicate
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
1S6M
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BU of 1s6m by Molmil
Conjugative Relaxase Trwc In Complex With Orit DNA. Metal-Bound Structure
Descriptor: DNA (25-MER), NICKEL (II) ION, TrwC
Authors:Guasch, A, Lucas, M, Moncalian, G, Cabezas, M, Perez-Luque, R, Gomis-Ruth, F.X, de la Cruz, F, Coll, M.
Deposit date:2004-01-26
Release date:2005-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Unveiling the molecular mechanism of a conjugative relaxase: The structure of TrwC complexed with a 27-mer DNA comprising the recognition hairpin and the cleavage site.
J.Mol.Biol., 358, 2006
5DKA
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BU of 5dka by Molmil
A C2HC zinc finger is essential for the activity of the RING ubiquitin ligase RNF125
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF125, MAGNESIUM ION, ...
Authors:Boer, D.R, Coll, M, Bijlmakers, M.J.
Deposit date:2015-09-03
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A C2HC zinc finger is essential for the RING-E2 interaction of the ubiquitin ligase RNF125.
Sci Rep, 6, 2016
3FX8
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BU of 3fx8 by Molmil
Distinct recognition of three-way DNA junctions by a thioester variant of a metallo-supramolecular cylinder ('helicate')
Descriptor: (5'-D(*CP*GP*TP*AP*CP*G)-3', 4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}, FE (II) ION
Authors:Boer, D.R, Uson, I, Coll, M.
Deposit date:2009-01-20
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Self-Assembly of Functionalizable Two-Component 3D DNA Arrays through the Induced Formation of DNA Three-Way-Junction Branch Points by Supramolecular Cylinders.
Angew.Chem.Int.Ed.Engl., 49, 2010
4QRR
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BU of 4qrr by Molmil
Crystal Structure of HLA B*3501-IPS in complex with a Delta-Beta TCR, clone 12 TCR
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Gras, S, Chabrol, E, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
7S4Z
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BU of 7s4z by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Proteinase K
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
7S4Y
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BU of 7s4y by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
7S50
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BU of 7s50 by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Phycocyanin
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, CHLORIDE ION, ...
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
7S4W
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BU of 7s4w by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
7S4R
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BU of 7s4r by Molmil
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - alpha Spectrin-SH3 domain
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X.
Deposit date:2021-09-09
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
8YAM
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BU of 8yam by Molmil
Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound
Descriptor: 2-[2-(dimethylamino)ethoxy]xanthen-9-one, RNA (33-MER)
Authors:Numata, T, Parmar, S, Schneekloth, J.S.
Deposit date:2024-02-09
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mechanistic Analysis of Riboswitch Ligand Interactions Provides Insights into Pharmacological Control over Gene Expression.
Biorxiv, 2024
8YAN
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BU of 8yan by Molmil
Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound
Descriptor: RNA (33-MER), ~{N},~{N}-dimethyl-2-[(1-methyl-9~{H}-pyrido[3,4-b]indol-7-yl)oxy]ethanamine
Authors:Numata, T, Schneekloth, J.S.
Deposit date:2024-02-09
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanistic Analysis of Riboswitch Ligand Interactions Provides Insights into Pharmacological Control over Gene Expression.
Biorxiv, 2024
8Q4S
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BU of 8q4s by Molmil
Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP4 and magnesium.
Descriptor: (2S)-2-amino-4-phosphonobutanoic acid, GLYCEROL, MAGNESIUM ION, ...
Authors:Scaillet, T, Wouters, J.
Deposit date:2023-08-07
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP4 and magnesium.
To Be Published
6XYT
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BU of 6xyt by Molmil
Crystal structure of the O-state of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-01-31
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YC0
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BU of 6yc0 by Molmil
Crystal structure of the steady-state-SMX activated state of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YC2
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BU of 6yc2 by Molmil
Crystal structure of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ALANINE, EICOSANE, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YC3
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BU of 6yc3 by Molmil
Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YBY
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BU of 6yby by Molmil
Crystal structure of the D116N mutant of the light-driven sodium pump KR2 in the monomeric form, pH 4.6
Descriptor: EICOSANE, RETINAL, SODIUM ION, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YC1
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BU of 6yc1 by Molmil
Crystal structure of the H30A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
6YC4
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BU of 6yc4 by Molmil
Crystal structure of the steady-state activated state of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
Authors:Kovalev, K, Gushchin, I, Gordeliy, V.
Deposit date:2020-03-18
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020

 

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