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3N4Q
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BU of 3n4q by Molmil
Human cytomegalovirus terminase nuclease domain, Mn soaked
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, TERMINASE SUBUNIT UL89 PROTEIN
Authors:Nadal, M, Mas, P.J, Blanco, A.G, Arnan, C, Sola, M, Hart, D.J, Coll, M.
Deposit date:2010-05-22
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and inhibition of herpesvirus DNA packaging terminase nuclease domain.
Proc.Natl.Acad.Sci.USA, 107, 2010
3N4P
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BU of 3n4p by Molmil
Human cytomegalovirus terminase nuclease domain
Descriptor: MAGNESIUM ION, Terminase subunit UL89 protein
Authors:Nadal, M, Mas, P.J, Blanco, A.G, Arnan, C, Sola, M, Hart, D.J, Coll, M.
Deposit date:2010-05-22
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and inhibition of herpesvirus DNA packaging terminase nuclease domain.
Proc.Natl.Acad.Sci.USA, 107, 2010
2Y0A
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BU of 2y0a by Molmil
Structure of DAPK1 construct residues 1-304
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DEATH-ASSOCIATED PROTEIN KINASE 1
Authors:Yumerefendi, H, Mas, P.J, Dordevic, N, McCarthy, A.A, Hart, D.J.
Deposit date:2010-12-01
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Library-Based Construct Screening of Death-Associated Protein Kinase 1 Identifies the Minimal Calmodulin Interaction Region and Autoinhibitory Conformation of the Catalytic Domain
To be Published
5DAF
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BU of 5daf by Molmil
Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063
Descriptor: (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile, Kelch-like ECH-associated protein 1
Authors:Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C.
Deposit date:2015-08-19
Release date:2016-08-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
5DAD
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BU of 5dad by Molmil
Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64014
Descriptor: (6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile, Kelch-like ECH-associated protein 1
Authors:Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C.
Deposit date:2015-08-19
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
1RNC
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BU of 1rnc by Molmil
NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION
Authors:Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A.
Deposit date:1991-10-21
Release date:1994-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Newly observed binding mode in pancreatic ribonuclease.
J.Mol.Biol., 224, 1992
1RND
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BU of 1rnd by Molmil
NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION
Authors:Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A.
Deposit date:1991-10-21
Release date:1994-01-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Newly observed binding mode in pancreatic ribonuclease.
J.Mol.Biol., 224, 1992
3SI7
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BU of 3si7 by Molmil
The crystal structure of the NBD1 domain of the mouse CFTR protein, deltaF508 mutant
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Brautigam, C.A, Caspa, E, Thomas, P.J.
Deposit date:2011-06-17
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Requirements for efficient correction of DeltaF508 CFTR revealed by analyses of evolved sequences
Cell(Cambridge,Mass.), 148, 2012
1GAJ
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BU of 1gaj by Molmil
CRYSTAL STRUCTURE OF A NUCLEOTIDE-FREE ATP-BINDING CASSETTE FROM AN ABC TRANSPORTER
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, HIGH-AFFINITY BRANCHED CHAIN AMINO ACID TRANSPORT ATP-BINDING PROTEIN, ...
Authors:Karpowich, N, Yuan, Y.-R, Dai, P.L, Martsinkevich, O, Millen, L, Thomas, P.J, Hunt, J.F.
Deposit date:2000-11-30
Release date:2001-07-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the MJ1267 ATP binding cassette reveal an induced-fit effect at the ATPase active site of an ABC transporter.
Structure, 9, 2001
1G6H
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BU of 1g6h by Molmil
CRYSTAL STRUCTURE OF THE ADP CONFORMATION OF MJ1267, AN ATP-BINDING CASSETTE OF AN ABC TRANSPORTER
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HIGH-AFFINITY BRANCHED-CHAIN AMINO ACID TRANSPORT ATP-BINDING PROTEIN, MAGNESIUM ION, ...
Authors:Yuan, Y.-R, Martsinkevich, O, Karpowich, N, Millen, L, Thomas, P.J, Hunt, J.F.
Deposit date:2000-11-06
Release date:2001-07-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of the MJ1267 ATP binding cassette reveal an induced-fit effect at the ATPase active site of an ABC transporter.
Structure, 9, 2001
1XF9
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BU of 1xf9 by Molmil
Structure of NBD1 from murine CFTR- F508S mutant
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Thibodeau, P.H, Brautigam, C.A, Machius, M, Thomas, P.J.
Deposit date:2004-09-14
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Side chain and backbone contributions of Phe508 to CFTR folding.
Nat.Struct.Mol.Biol., 12, 2005
1XFA
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BU of 1xfa by Molmil
Structure of NBD1 from murine CFTR- F508R mutant
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Thibodeau, P.H, Brautigam, C.A, Machius, M, Thomas, P.J.
Deposit date:2004-09-14
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Side chain and backbone contributions of Phe508 to CFTR folding.
Nat.Struct.Mol.Biol., 12, 2005
5KE1
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BU of 5ke1 by Molmil
Structure of a C-terminal fragment of the IcsA/VirG passenger-domain
Descriptor: NICKEL (II) ION, Outer membrane protein IcsA autotransporter
Authors:Leupold, S, Scrima, A.
Deposit date:2016-06-09
Release date:2017-03-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the architecture of the Shigella flexneri virulence factor IcsA/VirG and motifs involved in polar distribution and secretion.
J. Struct. Biol., 198, 2017
6FFT
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BU of 6fft by Molmil
Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue)
Descriptor: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
Authors:Yee, A.W, Moulin, M, Blakeley, M.P, Haertlein, M, Mitchell, E.P, Forsyth, V.T.
Deposit date:2018-01-09
Release date:2019-01-02
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
2GMO
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BU of 2gmo by Molmil
NMR-structure of an independently folded C-terminal domain of influenza polymerase subunit PB2
Descriptor: Polymerase basic protein 2
Authors:Boudet, J, Tarendeau, F, Guilligay, D, Mas, P, Bougault, C.M, Cusack, S, Simorre, J.-P, Hart, D.J.
Deposit date:2006-04-07
Release date:2007-02-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure and nuclear import function of the C-terminal domain of influenza virus polymerase PB2 subunit.
Nat.Struct.Mol.Biol., 14, 2007
5NFE
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BU of 5nfe by Molmil
Neutron structure of human transthyretin (TTR) T119M mutant at room temperature to 1.85A resolution
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Blakeley, M.P, Ostermann, A, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T.
Deposit date:2017-03-14
Release date:2019-01-02
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.853 Å), X-RAY DIFFRACTION
Cite:A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
5N2E
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BU of 5n2e by Molmil
Structure of the E9 DNA polymerase from vaccinia virus
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tarbouriech, N, Burmeister, W.P, Iseni, F.
Deposit date:2017-02-07
Release date:2017-11-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:The vaccinia virus DNA polymerase structure provides insights into the mode of processivity factor binding.
Nat Commun, 8, 2017
5NFW
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BU of 5nfw by Molmil
Neutron structure of human transthyretin (TTR) S52P mutant at room temperature to 1.8A resolution (quasi-Laue)
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Blakeley, M.P, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T.
Deposit date:2017-03-16
Release date:2019-01-02
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:A molecular mechanism for transthyretin amyloidogenesis.
Nat Commun, 10, 2019
5N2H
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BU of 5n2h by Molmil
Structure of the E9 DNA polymerase exonuclease deficient mutant (D166A+E168A) from vaccinia virus
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tarbouriech, N, Burmeister, W.P, Iseni, F.
Deposit date:2017-02-07
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The vaccinia virus DNA polymerase structure provides insights into the mode of processivity factor binding.
Nat Commun, 8, 2017
5N2G
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BU of 5n2g by Molmil
Structure of the E9 DNA polymerase from vaccinia virus in complex with manganese
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tarbouriech, N, Burmeister, W.P, Iseni, F.
Deposit date:2017-02-07
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The vaccinia virus DNA polymerase structure provides insights into the mode of processivity factor binding.
Nat Commun, 8, 2017
6ZXP
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BU of 6zxp by Molmil
Solution structure of the C-terminal domain of the vaccinia virus DNA polymerase processivity factor component A20 fused to a short peptide from the viral DNA polymerase E9.
Descriptor: DNA polymerase processivity factor component A20,DNA polymerase processivity factor component E9
Authors:Bersch, B, Tarbouriech, N, Burmeister, W, Iseni, F.
Deposit date:2020-07-30
Release date:2021-05-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution Structure of the C-terminal Domain of A20, the Missing Brick for the Characterization of the Interface between Vaccinia Virus DNA Polymerase and its Processivity Factor.
J.Mol.Biol., 433, 2021
6ZYC
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BU of 6zyc by Molmil
Solution structure of the C-terminal domain of the vaccinia virus DNA polymerase processivity factor component A20.
Descriptor: DNA polymerase processivity factor component A20
Authors:Bersch, B, Iseni, F, Burmeister, W, Tarbouriech, N.
Deposit date:2020-07-31
Release date:2021-05-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution Structure of the C-terminal Domain of A20, the Missing Brick for the Characterization of the Interface between Vaccinia Virus DNA Polymerase and its Processivity Factor.
J.Mol.Biol., 433, 2021
2XZS
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BU of 2xzs by Molmil
Death associated protein kinase 1 residues 1-312
Descriptor: DEATH ASSOCIATED KINASE 1, MAGNESIUM ION
Authors:Yumerefendi, H, Mas, P.J, Dordevic, N, McCarthy, A.A, Hart, D.J.
Deposit date:2010-11-29
Release date:2011-12-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Death-Associated Protein Kinase Activity is Regulated by Coupled Calcium/Calmodulin Binding to Two Distinct Sites.
Structure, 24, 2016
2BHL
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BU of 2bhl by Molmil
X-RAY STRUCTURE OF HUMAN GLUCOSE-6-PHOSPHATE DEHYDROGENASE (DELETION VARIANT) COMPLEXED WITH GLUCOSE-6-PHOSPHATE
Descriptor: 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE 1-DEHYDROGENASE, GLYCEROL
Authors:Kotaka, M, Gover, S, Lam, V.M.S, Adams, M.J.
Deposit date:2005-01-13
Release date:2005-04-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Studies of Glucose-6-Phosphate and Nadp+ Binding to Human Glucose-6-Phosphate Dehydrogenase
Acta Crystallogr.,Sect.D, 61, 2005
2BH9
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BU of 2bh9 by Molmil
X-RAY STRUCTURE OF A DELETION VARIANT OF HUMAN GLUCOSE 6-PHOSPHATE DEHYDROGENASE COMPLEXED WITH STRUCTURAL AND COENZYME NADP
Descriptor: GLUCOSE-6-PHOSPHATE 1-DEHYDROGENASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gover, S, Vandeputte-Rutten, L, Au, S.W.N, Adams, M.J.
Deposit date:2005-01-08
Release date:2005-04-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Studies of Glucose-6-Phosphate and Nadp+ Binding to Human Glucose-6-Phosphate Dehydrogenase
Acta Crystallogr.,Sect.D, 61, 2005

 

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