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1FCS
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BU of 1fcs by Molmil
CRYSTAL STRUCTURE OF A DISTAL SITE DOUBLE MUTANT OF SPERM WHALE MYOGLOBIN AT 1.6 ANGSTROMS RESOLUTION
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Rizzi, M, Bolognesi, M, Coda, A, Cutruzzola, F, Travaglini Allocatelli, C, Brancaccio, A, Brunori, M.
Deposit date:1993-04-20
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a distal site double mutant of sperm whale myoglobin at 1.6 A resolution.
FEBS Lett., 320, 1993
7BVJ
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BU of 7bvj by Molmil
UDP-N-acetylglucosamine 3-dehydrogenase GnnA from Acidithiobacillus ferrooxidans (P21)
Descriptor: (2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, ...
Authors:Wangkanont, K.
Deposit date:2020-04-10
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Biochemical and Structural Investigation of GnnA in the Lipopolysaccharide Biosynthesis Pathway of Acidithiobacillus ferrooxidans .
Acs Chem.Biol., 15, 2020
4XCP
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BU of 4xcp by Molmil
Fatty Acid and Retinol binding protein Na-FAR-1 from Necator americanus
Descriptor: Nematode fatty acid retinoid binding protein, PALMITIC ACID
Authors:Gabrielsen, M, Rey-Burusco, M.F, Ibanez-Shimabukuro, M, Griffiths, K, Kennedy, M.W, Corsico, B, Smith, B.O.
Deposit date:2014-12-18
Release date:2015-09-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Diversity in the structures and ligand-binding sites of nematode fatty acid and retinol-binding proteins revealed by Na-FAR-1 from Necator americanus.
Biochem.J., 471, 2015
2BX4
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BU of 2bx4 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P21212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Bigalke, J, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
1SRH
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BU of 1srh by Molmil
STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor: 2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID, STREPTAVIDIN
Authors:Weber, P.C, Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-11-01
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1SRG
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BU of 1srg by Molmil
STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor: 2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID, STREPTAVIDIN
Authors:Weber, P.C, Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-12-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1SRI
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BU of 1sri by Molmil
STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor: 2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID, STREPTAVIDIN
Authors:Weber, P.C, Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-11-01
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1SRF
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BU of 1srf by Molmil
STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor: 2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID, STREPTAVIDIN
Authors:Weber, P.C, Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-11-01
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
6ME5
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BU of 6me5 by Molmil
XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine
Descriptor: OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
Authors:Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V.
Deposit date:2018-09-05
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
5HGI
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BU of 5hgi by Molmil
Crystal structure of apo human IRE1 alpha
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ...
Authors:Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J.
Deposit date:2016-01-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.584 Å)
Cite:Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands.
Acs Chem.Biol., 11, 2016
9FB3
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BU of 9fb3 by Molmil
Human Aldose Reductase in Complex with a Covalent Ligand
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DIMETHYL SULFOXIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klee, L.-S, Heine, A, Glinca, S.
Deposit date:2024-05-11
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Human Aldose Reductase in Complex with a Covalent Ligand
To Be Published
7BGC
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BU of 7bgc by Molmil
human butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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:Nachon, F, Salerno, A, Bolognesi, M.L.
Deposit date:2021-01-06
Release date:2021-04-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer's Disease.
J.Med.Chem., 64, 2021
9F8U
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BU of 9f8u by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH7399
Descriptor: 2-azanyl-8-methyl-3,7-dihydropurine-6-thione, N-glycosylase/DNA lyase, NICKEL (II) ION, ...
Authors:Scaletti, E, Kosenina, S, Stenmark, S.
Deposit date:2024-05-07
Release date:2025-05-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH7399
To Be Published
9F8V
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BU of 9f8v by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH7420
Descriptor: 2-azanyl-8-propyl-3,7-dihydropurine-6-thione, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Scaletti, E, Kosenina, S, Stenmark, P.
Deposit date:2024-05-07
Release date:2025-05-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH7420
To Be Published
4UIJ
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BU of 4uij by Molmil
Crystal structure of the BTB domain of KCTD13
Descriptor: BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 1, CHLORIDE ION
Authors:Pinkas, D.M, Sanvitale, C.E, Sorell, F.J, Solcan, N, Goubin, S, Canning, P, Williams, E, Chaikuad, A, Dixon Clarke, S.E, Tallant, C, Fonseca, M, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2015-03-30
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
9F8Z
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BU of 9f8z by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13677
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, SULFATE ION, ...
Authors:Scaletti, E, Stenmark, P.
Deposit date:2024-05-07
Release date:2025-05-21
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13677
To Be Published
3DGN
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BU of 3dgn by Molmil
A non-biological ATP binding protein crystallized in the presence of 100 mM ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP Binding Protein-DX, DI(HYDROXYETHYL)ETHER, ...
Authors:Simmons, C.R, Allen, J.P, Chaput, J.C.
Deposit date:2008-06-13
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A synthetic protein selected for ligand binding affinity mediates ATP hydrolysis.
Acs Chem.Biol., 4, 2009
7BOI
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BU of 7boi by Molmil
Bacterial 30S ribosomal subunit assembly complex state F (multibody refinement for body domain of 30S ribosome)
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
4MLP
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BU of 4mlp by Molmil
Mammalian cryptochrome in complex with a small molecule competitor of its ubiquitin ligase
Descriptor: Cryptochrome-2, N-[(2S)-3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide
Authors:Nangle, S, Xing, W, Zheng, N.
Deposit date:2013-09-06
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Crystal structure of mammalian cryptochrome in complex with a small molecule competitor of its ubiquitin ligase.
Cell Res., 23, 2013
7BOF
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BU of 7bof by Molmil
Bacterial 30S ribosomal subunit assembly complex state I (body domain)
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7BOG
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BU of 7bog by Molmil
Bacterial 30S ribosomal subunit assembly complex state E (body domain)
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
1QJA
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BU of 1qja by Molmil
14-3-3 ZETA/PHOSPHOPEPTIDE COMPLEX (MODE 2)
Descriptor: 14-3-3 PROTEIN ZETA, PHOSPHOPEPTIDE
Authors:Rittinger, K, Budman, J, Xu, J, Volinia, S, Cantley, L.C, Smerdon, S.J, Gamblin, S.J, Yaffe, M.B.
Deposit date:1999-06-23
Release date:1999-09-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of 14-3-3 Phosphopeptide Complexes Identifies a Dual Role for the Nuclear Export Signal of 14-3-3 in Ligand Binding
Mol.Cell, 4, 1999
7BOD
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BU of 7bod by Molmil
Bacterial 30S ribosomal subunit assembly complex state M (body domain)
Descriptor: 16S rRNA (body domain of 30S subunit), 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.R.
Deposit date:2021-01-25
Release date:2021-07-07
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
5OVZ
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BU of 5ovz by Molmil
High resolution structure of the PBP NocT in complex with nopaline
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2017-08-30
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
7BOE
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BU of 7boe by Molmil
Bacterial 30S ribosomal subunit assembly complex state M (Consensus refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.R.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021

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