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PDB: 121 results

7SKM
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BU of 7skm by Molmil
Complex between S. aureus aureolysin and wt IMPI.
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
7SKL
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BU of 7skl by Molmil
Complex between S. aureus aureolysin and IMPI mutant I57I
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, IMPI alpha, ...
Authors:Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-01-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin
Comput Struct Biotechnol J, 20, 2022
7SKP
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BU of 7skp by Molmil
De novo synthetic protein DIG14 (tetragonal space group)
Descriptor: De novo synthetic protein DIG14
Authors:Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
2W8M
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BU of 2w8m by Molmil
Structure of D212, a nuclease from a fusselovirus.
Descriptor: ORF D212
Authors:Menon, S.K, Young, M.J, Lawrence, C.M.
Deposit date:2009-01-17
Release date:2009-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of D212 from sulfolobus spindle-shaped virus ragged hills reveals a new member of the PD-(D/E)XK nuclease superfamily.
J. Virol., 84, 2010
2VQC
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BU of 2vqc by Molmil
Structure of a DNA binding winged-helix protein, F-112, from Sulfolobus Spindle-shaped Virus 1.
Descriptor: HYPOTHETICAL 13.2 KDA PROTEIN
Authors:Menon, S.K, Kraft, P, Corn, G.J, Wiedenheft, B, Young, M.J, Lawrence, C.M.
Deposit date:2008-03-12
Release date:2008-05-06
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cysteine Usage in Sulfolobus Spindle-Shaped Virus 1 and Extension to Hyperthermophilic Viruses in General.
Virology, 376, 2008
7SKN
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BU of 7skn by Molmil
De novo synthetic protein DIG8-CC (tetragonal space group)
Descriptor: De novo synthetic protein DIG8-CC
Authors:Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-10-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SKO
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BU of 7sko by Molmil
De novo synthetic protein DIG8-CC (orthogonal space group)
Descriptor: De novo synthetic protein DIG8-CC, MAGNESIUM ION
Authors:Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
3R0J
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BU of 3r0j by Molmil
Structure of PhoP from Mycobacterium tuberculosis
Descriptor: POSSIBLE TWO COMPONENT SYSTEM RESPONSE TRANSCRIPTIONAL POSITIVE REGULATOR PHOP, R-1,2-PROPANEDIOL, SULFATE ION
Authors:Menon, S, Wang, S.
Deposit date:2011-03-08
Release date:2011-07-13
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Response Regulator PhoP from Mycobacterium tuberculosis Reveals a Dimer through the Receiver Domain.
Biochemistry, 50, 2011
7KD3
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BU of 7kd3 by Molmil
Structure of an HxlR/DUF24 family transcription regulator, CdTR_3200 from hypervirulent Clostridioides difficile R20291
Descriptor: Putative transcriptional regulator
Authors:Menon, S.K, Isom, C.E, Karr, E.A.
Deposit date:2020-10-07
Release date:2021-09-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of an HxlR/DUF24 family transcription regulator, CdTR_3200 from hypervirulent Clostridioides difficile R20291
To Be Published
3ZL1
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BU of 3zl1 by Molmil
A thiazolyl-mannoside bound to FimH, monoclinic space group
Descriptor: CHLORIDE ION, N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine, PROTEIN FIMH
Authors:Brument, S, Sivignon, A, Dumych, T.I, Moreau, N, Roos, G, Guerardel, Y, Chalopin, T, Deniaud, D, Bilyy, R.O, Darfeuille-Michaud, A, Bouckaert, J, Gouin, S.G.
Deposit date:2013-01-27
Release date:2013-07-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Thiazolylaminomannosides as Potent Antiadhesives of Type 1 Piliated Escherichia Coli Isolated from Crohn'S Disease Patients.
J.Med.Chem., 56, 2013
3ZL2
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BU of 3zl2 by Molmil
A thiazolyl-mannoside bound to FimH, orthorhombic space group
Descriptor: N-{5-[(1R)-1-hydroxyethyl]-1,3-thiazol-2-yl}-alpha-D-mannopyranosylamine, PROTEIN FIMH
Authors:Brument, S, Sivignon, A, Dumych, T.I, Moreau, N, Roos, G, Guerardel, Y, Chalopin, T, Deniaud, D, Bilyy, R.O, Darfeuille-Michaud, A, Bouckaert, J, Gouin, S.G.
Deposit date:2013-01-27
Release date:2013-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:Thiazolylaminomannosides as Potent Antiadhesives of Type 1 Piliated Escherichia Coli Isolated from Crohn'S Disease Patients.
J.Med.Chem., 56, 2013
4K7F
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BU of 4k7f by Molmil
Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201
Descriptor: Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ...
Authors:Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X.
Deposit date:2013-04-17
Release date:2013-06-05
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication.
J.Virol., 87, 2013
5KBX
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BU of 5kbx by Molmil
Co-crystal structure of the Saccharomyces cerevisiae histidine phosphotransfer signaling protein Ypd1 and the receiver domain of its downstream response regulator Ssk1
Descriptor: GLYCEROL, Osmolarity two-component system protein SSK1, PHOSPHATE ION, ...
Authors:Menon, S.K, West, A.H.
Deposit date:2016-06-03
Release date:2017-06-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights revealed by the co-crystal structure of the Saccharomyces cerevisiae histidine phosphotransfer signaling protein Ypd1 and the receiver domain of its downstream response regulator Ssk1
To Be Published
6M7W
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BU of 6m7w by Molmil
Role of the highly conserved G68 residue in the yeast phosphorelay protein Ypd1: implications for interactions between histidine phosphotransfer (HPt) and response regulator proteins
Descriptor: Phosphorelay intermediate protein YPD1
Authors:Menon, S.K, Soni, K.S, West, A.H.
Deposit date:2018-08-21
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Role of the highly conserved G68 residue in the yeast phosphorelay protein Ypd1: implications for interactions between histidine phosphotransfer (HPt) and response regulator proteins.
BMC Biochem., 20, 2019
5L8D
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BU of 5l8d by Molmil
X-ray structure of NikA from Escherichia coli in complex with Ru(bis(pyrzol-1-yl)acetate scorpionate)(CO)2Cl
Descriptor: ACETATE ION, CARBON MONOXIDE, CHLORIDE ION, ...
Authors:Menage, S, Cavazza, C.
Deposit date:2016-06-07
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme.
Chem. Commun. (Camb.), 53, 2017
6T33
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BU of 6t33 by Molmil
The unusual structure of Ruminococcin C1 antimicrobial peptide confers activity against clinical pathogens
Descriptor: Ruminococcin C
Authors:Chiumento, S, Roblin, C, Bornet, O, Nouailler, M, Muller, C, Basset, C, Kieffer-Jaquinod, S, Coute, Y, Torelli, S, Le Pape, L, Shunemann, V, Jeannot, K, Nicoletti, C, Iranzo, O, Maresca, M, Giardina, T, Fons, M, Devillard, E, Perrier, J, Atta, M, Guerlesquin, F, Lafond, M, Duarte, V.
Deposit date:2019-10-10
Release date:2020-08-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The unusual structure of Ruminococcin C1 antimicrobial peptide confers clinical properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
9GBE
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BU of 9gbe by Molmil
Structure of Human Anaplastic Lymphoma Kinase (ALK) harboring the G1202R/L1196M Compound Mutation in Complex with NVL-655
Descriptor: ALK tyrosine kinase receptor, NVL-655
Authors:Mente, S, Horan, J.C.
Deposit date:2024-07-31
Release date:2024-09-18
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:NVL-655 Is a Selective and Brain-Penetrant Inhibitor of Diverse ALK-Mutant Oncoproteins, Including Lorlatinib-Resistant Compound Mutations.
Cancer Discov, 2024
7XC8
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BU of 7xc8 by Molmil
Crystal structure of cotton alpha-like expansin GhEXLA1
Descriptor: Beta-expansin, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Zhao, F, Men, S, Xue, Y, Tu, L.L, Yin, P, Zhang, X.L.
Deposit date:2022-03-23
Release date:2023-05-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of cotton alpha-like expansin GhEXLA1
To Be Published
5ON0
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BU of 5on0 by Molmil
Crystal structure of NikA in complex with Fe-L2 (N-(2-hydroxy-3methoxybenzyl)-N-N'-ethylenediaminediacetic acid)
Descriptor: 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Cavazza, C, Menage, S.
Deposit date:2017-08-02
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cross-Linked Artificial Enzyme Crystals as Heterogeneous Catalysts for Oxidation Reactions.
J. Am. Chem. Soc., 139, 2017
4C13
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BU of 4c13 by Molmil
x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J.
Deposit date:2013-08-09
Release date:2013-10-02
Last modified:2021-03-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy.
Nat.Chem.Biol., 2021
1L3W
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BU of 1l3w by Molmil
C-cadherin Ectodomain
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Boggon, T.J, Murray, J, Chappuis-Flament, S, Wong, E, Gumbiner, B.M, Shapiro, L.
Deposit date:2002-03-01
Release date:2002-04-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:C-cadherin ectodomain structure and implications for cell adhesion mechanisms
Science, 296, 2002
4C12
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BU of 4c12 by Molmil
X-ray Crystal Structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Fulop, V, Roper, D.I, Ruane, K.M, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J.
Deposit date:2013-08-09
Release date:2013-10-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity Determinants for Lysine Incorporation in Staphylococcus Aureus Peptidoglycan as Revealed by the Structure of a Mure Enzyme Ternary Complex.
J.Biol.Chem., 288, 2013
4BR1
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BU of 4br1 by Molmil
Protease-induced heterodimer of human triosephosphate isomerase.
Descriptor: TRIOSEPHOSPHATE ISOMERASE
Authors:DeLaMora-DeLaMora, I, Torres-Larios, A, Hernandez-Alcantara, G, Mendoza-Hernandez, G, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Garcia-Torres, I, Torres-Arroyo, A, Gomez-Manzo, S, Marcial-Quino, J, Oria-Hernandez, J, Lopez-Velazquez, G, Reyes-Vivas, H.
Deposit date:2013-06-03
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential Proteolysis in Human Triosephosphate Isomerase
To be Published
4UQZ
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BU of 4uqz by Molmil
Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes
Descriptor: ACETATE ION, HSIB1, HSIE1
Authors:Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A.
Deposit date:2014-06-25
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes.
RNA, 20, 2014
4URH
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BU of 4urh by Molmil
High-resolution structure of partially oxidized D. fructosovorans NiFe-hydrogenase
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C.
Deposit date:2014-06-30
Release date:2014-10-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states.
J. Biol. Inorg. Chem., 20, 2015

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