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5CI9
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BU of 5ci9 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 6
Descriptor: 1-(propan-2-yl)-1H-benzimidazole-5-carboxylic acid, Protein Tob1, SODIUM ION
Authors:Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
Deposit date:2015-07-11
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
5COM
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BU of 5com by Molmil
Crystal structure of Uncharacterized Protein Q187F5 from Clostridium difficile 630
Descriptor: D(-)-TARTARIC ACID, Putative conjugative transposon protein Tn1549-like, CTn5-Orf2, ...
Authors:Taylor, J.D, Taylor, G, Matthews, S.J.
Deposit date:2015-07-20
Release date:2016-02-03
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the DfsB Protein Family Suggest a Cationic, Helical Sibling Lethal Factor Peptide.
J.Mol.Biol., 428, 2016
5CKD
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BU of 5ckd by Molmil
E. coli MazF E24A form III
Descriptor: Endoribonuclease MazF, SODIUM ION
Authors:Zorzini, V, Loris, R.
Deposit date:2015-07-15
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Substrate Recognition and Activity Regulation of the Escherichia coli mRNA Endonuclease MazF.
J.Biol.Chem., 291, 2016
6RJ4
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BU of 6rj4 by Molmil
Molybdenum storage protein - P6422, ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ermler, U, Bruenle, S.
Deposit date:2019-04-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Proc.Natl.Acad.Sci.USA, 2019
6RTA
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BU of 6rta by Molmil
Tetragonal lysozyme grown with 300g/L Ficoll
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Pereira, P.J.B, Ferreira, C, Martins, P.M.
Deposit date:2019-05-22
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions.
Phys Chem Chem Phys, 22, 2020
6ENG
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BU of 6eng by Molmil
Crystal structure of the 43K ATPase domain of Escherichia coli gyrase B in complex with an aminocoumarin
Descriptor: CHLORIDE ION, Coumermycin A1, DNA gyrase subunit B, ...
Authors:Vanden Broeck, A, McEwen, A.G, Lamour, V.
Deposit date:2017-10-04
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for DNA Gyrase Interaction with Coumermycin A1.
J.Med.Chem., 62, 2019
6ELR
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BU of 6elr by Molmil
Human jak1 kinase domain in complex with compound 7
Descriptor: SODIUM ION, Tyrosine-Protein Kinase JAK1, [3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol
Authors:Read, J.A.
Deposit date:2017-09-29
Release date:2018-10-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human jak1 kinase domain in complex with compound 7
To Be Published
6S36
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BU of 6s36 by Molmil
Crystal structure of E. coli Adenylate kinase R119K mutant
Descriptor: Adenylate kinase, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2019-06-24
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nucleation of an Activating Conformational Change by a Cation-pi Interaction.
Biochemistry, 58, 2019
6EFW
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BU of 6efw by Molmil
Crystal structure of a YjeF family protein from Cryptococcus neoformans var. grubii serotype A
Descriptor: ATP-dependent (S)-NAD(P)H-hydrate dehydratase, PHOSPHATE ION, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-08-17
Release date:2018-09-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a YjeF family protein from Cryptococcus neoformans var. grubii serotype A
TO BE PUBLISHED
6EJ9
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BU of 6ej9 by Molmil
Human Xylosyltransferase 1 in complex with peptide QEPEGSGGGQGG
Descriptor: PHOSPHATE ION, Protein AMBP, SODIUM ION, ...
Authors:Briggs, D.C, Hohenester, E.
Deposit date:2017-09-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
6EJA
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BU of 6eja by Molmil
Human Xylosyltransferase 1 in complex with peptide QEEEYSGGGQGG
Descriptor: Protein AMBP, SODIUM ION, Xylosyltransferase 1
Authors:Briggs, D.C, Hohenester, E.
Deposit date:2017-09-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
5CCU
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BU of 5ccu by Molmil
Crystal structure of endoglycoceramidase I from Rhodococ-cus equi
Descriptor: 1,2-ETHANEDIOL, Putative secreted endoglycosylceramidase, SODIUM ION
Authors:Chen, L.
Deposit date:2015-07-02
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural Insights into the Broad Substrate Specificity of a Novel Endoglycoceramidase I Belonging to a New Subfamily of GH5 Glycosidases
J. Biol. Chem., 292, 2017
6S5W
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BU of 6s5w by Molmil
Structure of Rib domain 'Rib Long' from Lactobacillus acidophilus
Descriptor: SODIUM ION, SULFATE ION, Surface protein
Authors:Griffiths, S.C, Cooper, R.E.M, Whelan, F, Whittingham, J.L, Bateman, A, Potts, J.R.
Deposit date:2019-07-02
Release date:2019-12-11
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection.
Proc.Natl.Acad.Sci.USA, 116, 2019
5CDV
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BU of 5cdv by Molmil
Proline dipeptidase from Deinococcus radiodurans R1
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Proline dipeptidase, ...
Authors:Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.
Deposit date:2015-07-05
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Proline dipeptidase from Deinococcus radiodurans R1 at 1.45 Angstrom resolution
To Be Published
5COQ
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BU of 5coq by Molmil
The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility
Descriptor: 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C.
Deposit date:2015-07-20
Release date:2015-08-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
1QUT
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BU of 1qut by Molmil
THE SOLUBLE LYTIC TRANSGLYCOSYLASE SLT35 FROM ESCHERICHIA COLI IN COMPLEX WITH N-ACETYLGLUCOSAMINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LYTIC MUREIN TRANSGLYCOSYLASE B, SODIUM ION
Authors:van Asselt, E.J, Dijkstra, A.J, Kalk, K.H, Takacs, B, Keck, W, Dijkstra, B.W.
Deposit date:1999-07-03
Release date:1999-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of Escherichia coli lytic transglycosylase Slt35 reveals a lysozyme-like catalytic domain with an EF-hand.
Structure Fold.Des., 7, 1999
5CNX
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BU of 5cnx by Molmil
Crystal structure of Xaa-Pro aminopeptidase from Escherichia coli K12
Descriptor: Aminopeptidase YpdF, CACODYLATE ION, GLYCEROL, ...
Authors:Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.D.
Deposit date:2015-07-18
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures and activities of widely conserved small prokaryotic aminopeptidases-P clarify classification of M24B peptidases
Proteins, 2018
5CE6
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BU of 5ce6 by Molmil
N-terminal domain of FACT complex subunit SPT16 from Cicer arietinum (chickpea)
Descriptor: ACETATE ION, FACT-Spt16, POTASSIUM ION, ...
Authors:Are, V.N, Ghosh, B, Kumar, A, Makde, R.
Deposit date:2015-07-06
Release date:2016-04-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure and dynamics of Spt16N-domain of FACT complex from Cicer arietinum.
Int.J.Biol.Macromol., 88, 2016
6F2M
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BU of 6f2m by Molmil
Structure of the bacteriophage T5 distal tail protein pb9 co-crystallized with 10mM Tb-Xo4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Distal tail protein, ...
Authors:Engilberge, S, Riobe, F, Di Pietro, S, Breyton, C, Girard, E, Dumont, E, Maury, O.
Deposit date:2017-11-24
Release date:2018-10-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
6SBN
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BU of 6sbn by Molmil
Polyester hydrolase PE-H of Pseudomonas aestusnigri
Descriptor: ACETATE ION, SODIUM ION, polyester hydrolase
Authors:Bollinger, A, Thies, S, Kobus, S, Hoeppner, A, Smits, S.H.J, Jaeger, K.-E.
Deposit date:2019-07-22
Release date:2020-02-26
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:A Novel Polyester Hydrolase From the Marine BacteriumPseudomonas aestusnigri -Structural and Functional Insights.
Front Microbiol, 11, 2020
6ESN
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BU of 6esn by Molmil
Ligand complex of RORg LBD
Descriptor: (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ...
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2017-10-23
Release date:2018-08-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
6SET
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BU of 6set by Molmil
X-ray structure of the gold/lysozyme adduct formed upon 3 days exposure of protein crystals to compound 1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Ferraro, G, Giorgio, A, Merlino, A.
Deposit date:2019-07-30
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
5CQK
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BU of 5cqk by Molmil
Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B
Descriptor: DNA dC->dU-editing enzyme APOBEC-3B, GLYCEROL, SODIUM ION, ...
Authors:Shi, K, Kurahashi, K, Aihara, H.
Deposit date:2015-07-21
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain.
J.Biol.Chem., 290, 2015
6SHU
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BU of 6shu by Molmil
Borrelia burgdorferi BmpD nucleoside binding protein bound to adenosine
Descriptor: ADENOSINE, Basic membrane protein D, CHLORIDE ION, ...
Authors:Guedez, G, Astrand, M, Cuellar, J, Hytonen, J, Salminen, T.A.
Deposit date:2019-08-08
Release date:2020-02-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.43002868 Å)
Cite:Structural and Biomolecular Analyses of Borrelia burgdorferi BmpD Reveal a Substrate-Binding Protein of an ABC-Type Nucleoside Transporter Family.
Infect.Immun., 88, 2020
6FDR
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BU of 6fdr by Molmil
7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT 100K, NA DITHIONITE REDUCED AT PH 8.5, RESOLUTION 1.4 A
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I)
Authors:Schipke, C.G, Goodin, D.B, Mcree, D.E, Stout, C.D.
Deposit date:1998-12-11
Release date:1998-12-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999

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