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7OEQ
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BU of 7oeq by Molmil
Mevalonyl-coenzyme A hydratase (Sid H)
Descriptor: Mevalonyl-coenzyme A hydratase sidH
Authors:Poonsiri, T, Demitri, N, Benini, S.
Deposit date:2021-05-03
Release date:2022-06-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Mevalonyl-coenzyme A hydratase (Sid H)
To Be Published
3KFC
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BU of 3kfc by Molmil
Complex Structure of LXR with an agonist
Descriptor: 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline, Oxysterols receptor LXR-beta
Authors:Olland, A, Bernotas, R.C, Unwalla, R.
Deposit date:2009-10-27
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists.
Bioorg.Med.Chem.Lett., 20, 2010
5IA4
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BU of 5ia4 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880)
Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2016-02-21
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
7PVN
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BU of 7pvn by Molmil
Crystal Structure of Human UBA6 in Complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Truongvan, N, Li, S, Schindelin, H.
Deposit date:2021-10-05
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structures of UBA6 explain its dual specificity for ubiquitin and FAT10.
Nat Commun, 13, 2022
1BEQ
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BU of 1beq by Molmil
INTERACTION BETWEEN PROXIMAL AND DISTALS REGIONS OF CYTOCHROME C PEROXIDASE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Miller, M.A.
Deposit date:1998-05-16
Release date:1998-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Interaction between Proximal and Distals Regions of Cytochrome C Peroxidase
To be Published
6Q1L
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BU of 6q1l by Molmil
Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and 3-iodo-L-tyrosine
Descriptor: 3-IODO-TYROSINE, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Sun, Z, Kavran, J.M, Rokita, S.E.
Deposit date:2019-08-05
Release date:2021-04-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana.
J.Biol.Chem., 297, 2021
1BES
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BU of 1bes by Molmil
INTERACTION BETWEEN PROXIMAL AND DISTALS REGIONS OF CYTOCHROME C PEROXIDASE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, CYTOCHROME C PEROXIDASE, ...
Authors:Miller, M.A, Kraut, J.
Deposit date:1998-05-16
Release date:1998-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction between Proximal and Distals Regions of Cytochrome C Peroxidase
To be Published
1BEJ
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BU of 1bej by Molmil
INTERACTION BETWEEN PROXIMAL AND DISTALS REGIONS OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Miller, M.A, Kraut, J.
Deposit date:1998-05-16
Release date:1998-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Interaction between Proximal and Distals Regions of Cytochrome C Peroxidase
To be Published
4WYA
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BU of 4wya by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a fragment hit
Descriptor: 5-(pyridin-2-yl)thiophene-2-carboxamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Finzel, B.C, Dai, D, Geders, T.W.
Deposit date:2014-11-17
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4Q3N
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BU of 4q3n by Molmil
Crystal structure of MGS-M5, a lactate dehydrogenase enzyme from a Medee basin deep-sea metagenome library
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A.
Deposit date:2014-04-11
Release date:2015-02-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
4QHC
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BU of 4qhc by Molmil
Structure of M.Tuberculosis Betalactamase (Blac) with inhibitor having novel mechanism
Descriptor: (3R,6R,7S)-7-[(2R,3aR)-hexahydropyrazolo[1,5-c][1,3]thiazin-2-yl]-6-(hydroxymethyl)-1,4-thiazepane-3-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Hazra, S, Blanchard, J.
Deposit date:2014-05-28
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Kinetic and Structural Characterization of the Interaction of 6-Methylidene Penem 2 with the beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 54, 2015
1BC1
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BU of 1bc1 by Molmil
RECOMBINANT RAT ANNEXIN V, QUADRUPLE MUTANT (T72K, S144K, S228K, S303K)
Descriptor: ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A.
Deposit date:1998-05-04
Release date:1998-11-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
1BCZ
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BU of 1bcz by Molmil
RECOMBINANT RAT ANNEXIN V, T72S MUTANT
Descriptor: ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A.
Deposit date:1998-05-04
Release date:1998-11-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
1BCW
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BU of 1bcw by Molmil
RECOMBINANT RAT ANNEXIN V, T72A MUTANT
Descriptor: ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A.
Deposit date:1998-05-04
Release date:1998-11-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
8T5Q
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BU of 8t5q by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain
Descriptor: DI(HYDROXYETHYL)ETHER, ORF3a protein, TETRAETHYLENE GLYCOL, ...
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
1Z4N
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BU of 1z4n by Molmil
Structure of beta-phosphoglucomutase with inhibitor bound alpha-galactose 1-phosphate cocrystallized with Fluoride
Descriptor: 1-O-phosphono-alpha-D-galactopyranose, Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Tremblay, L.W, Zhang, G, Dai, J, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2005-03-16
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Chemical Confirmation of a Pentavalent Phosphorane in Complex with beta-Phosphoglucomutase
J.Am.Chem.Soc., 127, 2005
1BC3
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BU of 1bc3 by Molmil
RECOMBINANT RAT ANNEXIN V, TRIPLE MUTANT (T72K, S144K, S228K)
Descriptor: ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A.
Deposit date:1998-05-04
Release date:1998-11-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
7WKH
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BU of 7wkh by Molmil
the grass carp IFNa
Descriptor: Interferon
Authors:Zou, J, WANG, J, Wang, Z.
Deposit date:2022-01-09
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and Functional Analyses of Type I IFNa Shed Light Into Its Interaction With Multiple Receptors in Fish.
Front Immunol, 13, 2022
5WJI
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BU of 5wji by Molmil
Crystal structure of the F61S mutant of HsNUDT16
Descriptor: ACETIC ACID, CHLORIDE ION, SULFATE ION, ...
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-07-23
Release date:2018-10-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
4Q3O
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BU of 4q3o by Molmil
Crystal structure of MGS-MT1, an alpha/beta hydrolase enzyme from a Lake Matapan deep-sea metagenome library
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A.
Deposit date:2014-04-11
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
2YX8
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BU of 2yx8 by Molmil
Crystal structure of the extracellular domain of human RAMP1
Descriptor: Receptor activity-modifying protein 1
Authors:Kusano, S, Kukimoto-Niino, M, Shirouzu, M, Shindo, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-24
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the human receptor activity-modifying protein 1 extracellular domain.
Protein Sci., 17, 2008
6JZE
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BU of 6jze by Molmil
Crystal structure of VASH2-SVBP complex with the magic triangle I3C
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 2
Authors:Chen, Z, Ling, Y, Zeyuan, G, Zhu, L.
Deposit date:2019-05-01
Release date:2019-08-07
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis of tubulin detyrosination by VASH2/SVBP heterodimer.
Nat Commun, 10, 2019
4XAI
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BU of 4xai by Molmil
Crystal Structure of red flour beetle NR2E1/TLX
Descriptor: Grunge, isoform J, Maltose-binding periplasmic protein,Tailless ortholog, ...
Authors:Zhi, X, Zhou, E, Xu, E.
Deposit date:2014-12-14
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
5ZS6
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BU of 5zs6 by Molmil
Dodecameric structure of a small Heat Shock Protein from Mycobacterium marinum M: Form-2
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLY-ARG-LEU-LEU, ...
Authors:Bhandari, S, Suguna, K.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.81191349 Å)
Cite:Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
3KEK
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BU of 3kek by Molmil
Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Shieh, H.-S, Collins, B, Schnute, M.E.
Deposit date:2009-10-26
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2009

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