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4LTQ
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BU of 4ltq by Molmil
Bacterial sodium channel in low calcium, P42 space group
Descriptor: Ion transport protein
Authors:Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L.
Deposit date:2013-07-23
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels.
J.Mol.Biol., 426, 2014
3E7J
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BU of 3e7j by Molmil
HeparinaseII H202A/Y257A double mutant complexed with a heparan sulfate tetrasaccharide substrate
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Heparinase II protein, ...
Authors:Shaya, D, Cygler, M.
Deposit date:2008-08-18
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Catalytic mechanism of heparinase II investigated by site-directed mutagenesis and the crystal structure with its substrate.
J.Biol.Chem., 285, 2010
3E80
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BU of 3e80 by Molmil
Structure of Heparinase II complexed with heparan sulfate degradation disaccharide product
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Heparinase II protein, PHOSPHATE ION, ...
Authors:Shaya, D, Cygler, M.
Deposit date:2008-08-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Catalytic mechanism of heparinase II investigated by site-directed mutagenesis and the crystal structure with its substrate.
J.Biol.Chem., 285, 2010
2Q1F
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BU of 2q1f by Molmil
Crystal structure of chondroitin sulfate lyase abc from bacteroides thetaiotaomicron wal2926
Descriptor: CALCIUM ION, Chondroitinase, PHOSPHATE ION
Authors:Shaya, D, Cygler, M.
Deposit date:2007-05-24
Release date:2008-01-29
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Composite active site of chondroitin lyase ABC accepting both epimers of uronic acid.
Glycobiology, 18, 2008
4LTP
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BU of 4ltp by Molmil
Bacterial sodium channel in high calcium, I222 space group, crystal 2
Descriptor: CALCIUM ION, Ion transport protein
Authors:Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L.
Deposit date:2013-07-23
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels.
J.Mol.Biol., 426, 2014
4LTO
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BU of 4lto by Molmil
Bacterial sodium channel in high calcium, I222 space group
Descriptor: CALCIUM ION, Ion transport protein, NICKEL (II) ION
Authors:Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L.
Deposit date:2013-07-23
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels.
J.Mol.Biol., 426, 2014
4LTR
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BU of 4ltr by Molmil
Bacterial sodium channel, His245Gly mutant, I222 space group
Descriptor: Ion transport protein
Authors:Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L.
Deposit date:2013-07-23
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.8 Å)
Cite:Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels.
J.Mol.Biol., 426, 2014
2FUQ
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BU of 2fuq by Molmil
Crystal Structure of Heparinase II
Descriptor: FORMIC ACID, PHOSPHATE ION, ZINC ION, ...
Authors:Shaya, D, Cygler, M.
Deposit date:2006-01-27
Release date:2006-04-18
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Heparinase II from Pedobacter heparinus and Its Complex with a Disaccharide Product.
J.Biol.Chem., 281, 2006
2FUT
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BU of 2fut by Molmil
Crystal Structure of Heparinase II Complexed with a Disaccharide Product
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ZINC ION, heparinase II protein
Authors:Shaya, D, Cygler, M.
Deposit date:2006-01-27
Release date:2006-04-18
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Heparinase II from Pedobacter heparinus and Its Complex with a Disaccharide Product.
J.Biol.Chem., 281, 2006
7ZFM
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BU of 7zfm by Molmil
Engineered Protein Targeting the Zika Viral Envelope Fusion Loop
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, HEXAETHYLENE GLYCOL, ...
Authors:Athayde, D, Archer, M, Viana, I.F.T, Adan, W.C.S, Xavier, L.S.S, Lins, R.D.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:In Vitro Neutralisation of Zika Virus by an Engineered Protein Targeting the Viral Envelope Fusion Loop
SSRN, 2022
5HK7
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BU of 5hk7 by Molmil
Bacterial sodium channel pore, 2.95 Angstrom resolution
Descriptor: 2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate, CHLORIDE ION, Ion transport protein, ...
Authors:Shaya, D, Findeisen, F, Rohaim, A, Minor, D.L.
Deposit date:2016-01-14
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
5IWO
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BU of 5iwo by Molmil
Bacterial sodium channel pore domain, low bromide
Descriptor: BROMIDE ION, Ion transport protein
Authors:Shaya, D, Findeisen, F, Rohaim, A, Minor, D.L.
Deposit date:2016-03-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
5IWN
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BU of 5iwn by Molmil
Bacterial sodium channel pore domain, high bromide
Descriptor: BROMIDE ION, Ion transport protein
Authors:Shaya, D, Findeisen, F, Rohaim, A, Minor, D.L.
Deposit date:2016-03-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
4NR6
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BU of 4nr6 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
Descriptor: 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
To be Published
4NR7
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BU of 4nr7 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Descriptor: 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Krojer, T, Nowak, R, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published
4NR8
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BU of 4nr8 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with an isoxazolyl-benzimidazole ligand
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, Bromodomain-containing protein 4, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.635 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with an isoxazolyl-benzimidazole ligand
To be Published
4NR4
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BU of 4nr4 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Descriptor: 1,2-ETHANEDIOL, 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
TO BE PUBLISHED
4NR5
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BU of 4nr5 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Pike, A.W, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published
5BT3
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BU of 5bt3 by Molmil
Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe
Descriptor: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase p300, ISOPROPYL ALCOHOL
Authors:Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-06-02
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal structure of EP300 bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
5BT4
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BU of 5bt4 by Molmil
Crystal structure of BRD4 first bromodomain in complex with SGC-CBP30 chemical probe
Descriptor: 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Bromodomain-containing protein 4
Authors:Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-06-02
Release date:2015-07-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of BRD4 first bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
5BT5
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BU of 5bt5 by Molmil
Crystal structure of BRD2 second bromodomain in complex with SGC-CBP30 chemical probe
Descriptor: 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Bromodomain-containing protein 2
Authors:Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-06-02
Release date:2015-07-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of BRD2 second bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
6WBX
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BU of 6wbx by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 1
Descriptor: CALCIUM ION, DUF3367 domain-containing protein
Authors:Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
Deposit date:2020-03-27
Release date:2020-05-13
Last modified:2020-06-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
6WBY
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BU of 6wby by Molmil
Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria, Mutant R1389S Class 2
Descriptor: CALCIUM ION, DUF3367 domain-containing protein
Authors:Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F.
Deposit date:2020-03-27
Release date:2020-05-13
Last modified:2020-06-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
5NA4
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BU of 5na4 by Molmil
NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - E172S mutant
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH dehydrogenase-like protein SAOUHSC_00878
Authors:Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M.
Deposit date:2017-02-27
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus.
Biochim. Biophys. Acta, 1858, 2017
8PVC
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BU of 8pvc by Molmil
Structure of mouse heavy-chain apoferritin determined by cryoEM at 100 keV
Descriptor: FE (III) ION, Ferritin heavy chain, ZINC ION
Authors:McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J.
Deposit date:2023-07-17
Release date:2023-11-29
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure determination by cryoEM at 100 keV.
Proc.Natl.Acad.Sci.USA, 120, 2023

 

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