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5S8C
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BU of 5s8c by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N00322e (space group C2)
Descriptor: (1-methylbenzotriazol-5-yl)methanol, PH-interacting protein
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2020-12-17
Release date:2021-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:XChem group deposition
To Be Published
5S8L
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BU of 5s8l by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E11289c (space group C2)
Descriptor: 1-METHYLQUINOLIN-2(1H)-ONE, PH-interacting protein
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2020-12-17
Release date:2021-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:XChem group deposition
To Be Published
5S8P
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BU of 5s8p by Molmil
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E07179c (space group P212121)
Descriptor: 1,2-ETHANEDIOL, 3-methyl-3,4-dihydroquinazolin-2(1H)-one, CALCIUM ION, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
Deposit date:2020-12-17
Release date:2021-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:XChem group deposition
To Be Published
2Z36
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BU of 2z36 by Molmil
Crystal structure of cytochrome P450 MoxA from Nonomuraea recticatena (CYP105)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 type compactin 3'',4''-hydroxylase, FE (III) ION, ...
Authors:Yasutake, Y, Fujii, Y, Fujii, T, Arisawa, A, Tamura, T.
Deposit date:2007-06-02
Release date:2007-08-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of cytochrome P450 MoxA from Nonomuraea recticatena (CYP105)
Biochem.Biophys.Res.Commun., 361, 2007
6B5J
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BU of 6b5j by Molmil
TNNI3K complexed with a 4,6-diaminopyrimidine
Descriptor: N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide, Serine/threonine-protein kinase TNNI3K
Authors:Shewchuk, L.M, Philp, J.
Deposit date:2017-09-29
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:4,6-Diaminopyrimidines as Highly Preferred Troponin I-Interacting Kinase (TNNI3K) Inhibitors.
J. Med. Chem., 61, 2018
5UR6
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BU of 5ur6 by Molmil
PYR1 bound to the rationally designed agonist cyanabactin
Descriptor: Abscisic acid receptor PYR1, N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide, SULFATE ION
Authors:Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R.
Deposit date:2017-02-09
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration.
ACS Chem. Biol., 12, 2017
7TAE
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BU of 7tae by Molmil
Crystal Structure of the NPR1-Interacting Domain of TGA3
Descriptor: GLYCEROL, PALMITIC ACID, Transcription factor TGA3
Authors:Cheng, J, Zhou, P.
Deposit date:2021-12-20
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
5M9D
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BU of 5m9d by Molmil
Solution structure of Rtt103 CTD-interacting domain bound to a Ser2Ser7 phosphorylated CTD peptide
Descriptor: Regulator of Ty1 transposition protein 103, THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER
Authors:Jasnovidova, O, Kubicek, K, Stefl, R.
Deposit date:2016-11-01
Release date:2017-10-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and dynamics of the RNAPII CTDsome with Rtt103.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4H22
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BU of 4h22 by Molmil
Crystal structure of the dimeric coiled-coil domain of the cytosolic nucleic acid sensor LRRFIP1
Descriptor: Leucine-rich repeat flightless-interacting protein 1
Authors:Nguyen, J.B, Modis, Y.
Deposit date:2012-09-11
Release date:2012-11-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of the dimeric coiled-coil domain of the cytosolic nucleic acid sensor LRRFIP1.
J.Struct.Biol., 181, 2013
5J6T
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BU of 5j6t by Molmil
NMR structures of hylin-a1 analogs: Hylin-Ac
Descriptor: Hylin-a1
Authors:Crusca Jr, E, Matos, C.O, Liao, L.M, Oliveira, A.L.
Deposit date:2016-04-05
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and molecular dynamics simulation of hylin-a1 peptide analogs interacting with micelles.
J. Pept. Sci., 23, 2017
5J6V
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BU of 5j6v by Molmil
NMR structures of hylin-a1 analogs: Hylin-D
Descriptor: Hylin-D
Authors:Crusca Jr, E, Matos, C.O, Liao, L.M, Oliveira, A.L.
Deposit date:2016-04-05
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and molecular dynamics simulation of hylin-a1 peptide analogs interacting with micelles.
J. Pept. Sci., 23, 2017
5J6W
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BU of 5j6w by Molmil
NMR structures of hylin-a1 analogs: Hylin-K
Descriptor: Hylin-K
Authors:Crusca Jr, E, Matos, C.O, Liao, L.M, Oliveira, A.L.
Deposit date:2016-04-05
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structures and molecular dynamics simulation of hylin-a1 peptide analogs interacting with micelles.
J. Pept. Sci., 23, 2017
8SLM
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BU of 8slm by Molmil
Crystal structure of Deinococcus geothermalis PprI
Descriptor: MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ...
Authors:Zhao, Y, Lu, H.
Deposit date:2023-04-23
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
8SLN
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BU of 8sln by Molmil
Crystal structure of Deinococcus geothermalis PprI complexed with ssDNA
Descriptor: DNA (29-MER), MANGANESE (II) ION, Zn dependent hydrolase fused to HTH domain, ...
Authors:Zhao, Y, Lu, H.
Deposit date:2023-04-23
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
1FQ1
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BU of 1fq1 by Molmil
CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) IN COMPLEX WITH PHOSPHO-CDK2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-DEPENDENT KINASE INHIBITOR 3, ...
Authors:Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D.
Deposit date:2000-09-01
Release date:2001-05-09
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
1FEP
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BU of 1fep by Molmil
FERRIC ENTEROBACTIN RECEPTOR
Descriptor: FERRIC ENTEROBACTIN RECEPTOR
Authors:Buchanan, S.K, Smith, B.S, Ventatramani, L, Xia, D, Esser, L, Palnitkar, M, Chakraborty, R, Van Der Helm, D, Deisenhofer, J.
Deposit date:1998-11-24
Release date:1999-01-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the outer membrane active transporter FepA from Escherichia coli.
Nat.Struct.Biol., 6, 1999
5ZUJ
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BU of 5zuj by Molmil
Binding and Enhanced Binding between Key Immunity Proteins TRAF6 and TIFA
Descriptor: TNF receptor-associated factor 6, peptide 170-184 from TRAF-interacting protein with FHA domain-containing protein A
Authors:Huang, W.C, Maestre-Reyna, M, Hsiao, T.C, Tsai, M.D.
Deposit date:2018-05-07
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding and Enhanced Binding between Key Immunity Proteins TRAF6 and TIFA.
Chembiochem, 20, 2019
5LIL
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BU of 5lil by Molmil
Structure of Aggregatibacter actinomycetemcomitans MacB bound to ATPyS (P21)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Macrolide export ATP-binding/permease protein MacB
Authors:Crow, A.
Deposit date:2016-07-15
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5LIR
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BU of 5lir by Molmil
Structure of the SALTY Sigma cross-reacting protein 27A (SCRP-27A) from Salmonella typhimurium
Descriptor: DI(HYDROXYETHYL)ETHER, Sigma cross-reacting protein 27A (SCRP-27A)
Authors:Schneider, S, Mandel, M, Sieber, S.A.
Deposit date:2016-07-15
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Natural-Product-Inspired Aminoepoxybenzoquinones Kill Members of the Gram-Negative Pathogen Salmonella by Attenuating Cellular Stress Response.
Angew.Chem.Int.Ed.Engl., 55, 2016
8CIH
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BU of 8cih by Molmil
Structure of FL CINP
Descriptor: Cyclin-dependent kinase 2-interacting protein, SODIUM ION
Authors:Foglizzo, M, Zeqiraj, E.
Deposit date:2023-02-09
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024
5LVF
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BU of 5lvf by Molmil
Solution structure of Rtt103 CTD-interacting domain bound to a Thr4 phosphorylated CTD peptide
Descriptor: PRO-SER-TYR-SER-PRO-PTH-SER-PRO-SER-TYR-SER-PRO-THR-SER-PRO-SER, Regulator of Ty1 transposition protein 103
Authors:Jasnovidova, O, Kubicek, K, Krejcikova, M, Stefl, R.
Deposit date:2016-09-14
Release date:2017-05-10
Last modified:2019-10-30
Method:SOLUTION NMR
Cite:Structural insight into recognition of phosphorylated threonine-4 of RNA polymerase II C-terminal domain by Rtt103p.
EMBO Rep., 18, 2017
7JUA
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BU of 7jua by Molmil
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase at 2.35 A resolution
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
Authors:Xia, Y, Soule, J, Dowling, D.P.
Deposit date:2020-08-19
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 2022
7JTJ
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BU of 7jtj by Molmil
Crystal structure of the second heterocyclization domain of yersiniabactin synthetase
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
Authors:Xia, Y, Gnann, A.D, Dowling, D.P.
Deposit date:2020-08-17
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 298, 2022
6BEK
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BU of 6bek by Molmil
Structure of sIHF bound to an 8bp palindromic DNA
Descriptor: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'), POTASSIUM ION, SCO1480
Authors:Guarne, A, Nanji, T.N, Shen, Y.
Deposit date:2017-10-25
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Streptomyces IHF uses multiple interfaces to bind DNA.
Biochim Biophys Acta Gen Subj, 1863, 2019
5MDT
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BU of 5mdt by Molmil
Structure of the CTD-interacting domain (CID) of Seb1 from S. pombe.
Descriptor: Rpb7-binding protein seb1
Authors:Wittmann, S, Renner, M, Vasiljeva, L, Grimes, J.
Deposit date:2016-11-13
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The conserved protein Seb1 drives transcription termination by binding RNA polymerase II and nascent RNA.
Nat Commun, 8, 2017

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