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2JQR
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BU of 2jqr by Molmil
Solution model of crosslinked complex of cytochrome c and adrenodoxin
Descriptor: Adrenodoxin, mitochondrial, Cytochrome c iso-1, ...
Authors:Xu, X, Reinle, W, Hannemann, F, Konarev, P.V, Svergun, D.I, Bernhardt, R, Ubbink, M.
Deposit date:2007-06-07
Release date:2008-04-22
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Dynamics in a pure encounter complex of two proteins studied by solution scattering and paramagnetic NMR spectroscopy
J.Am.Chem.Soc., 130, 2008
5W55
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BU of 5w55 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG048
Descriptor: 1,2-ETHANEDIOL, 11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
Authors:Xu, X, Blacklow, S.C.
Deposit date:2017-06-14
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.354 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG048
To Be Published
9DME
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BU of 9dme by Molmil
Type 3 KD-mxyl filament of miniature tau macrocycle derived from 4R tauopathic fold
Descriptor: 1,3-dimethylbenzene, Microtubule-associated protein tau
Authors:Xu, X, Angera, J.I, Rajewski, H.B, Jiang, W, Del Valle, R.J.
Deposit date:2024-09-13
Release date:2025-04-23
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of seed-competent proteomimetic macrocycles derived from 4R tauopathic folds
To Be Published
7S0R
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BU of 7s0r by Molmil
Crystal Structure of a Complement Factor H-binding Fragment within the B75KN Region of the Group B Streptococcus Beta Antigen C Protein
Descriptor: C protein beta antigen
Authors:Xu, X, Geisbrecht, B.V.
Deposit date:2021-08-31
Release date:2021-12-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Group B Streptococcus Surface Protein beta : Structural Characterization of a Complement Factor H-Binding Motif and Its Contribution to Immune Evasion.
J Immunol., 208, 2022
8G4A
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BU of 8g4a by Molmil
Human ARNT PAS-B complexed with KG-548 small molecule
Descriptor: 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole, Aryl hydrocarbon receptor nuclear translocator
Authors:Xu, X, Isiorho, E.A, Pimentel Marcelino, L, Gardner, K.H.
Deposit date:2023-02-08
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Use of High Pressure NMR Spectroscopy to Rapidly Identify Proteins with Internal Ligand-Binding Voids
To Be Published
6IVA
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BU of 6iva by Molmil
Crystal structure of the S. typhimurium oxaloacetate decarboxylase beta-gamma sub-complex
Descriptor: Oxaloacetate decarboxylase beta chain, Probable oxaloacetate decarboxylase gamma chain
Authors:Xu, X, Xiang, S.
Deposit date:2018-12-03
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.403 Å)
Cite:Structural insights into sodium transport by the oxaloacetate decarboxylase sodium pump.
Elife, 9, 2020
6IWW
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BU of 6iww by Molmil
Cryo-EM structure of the S. typhimurium oxaloacetate decarboxylase beta-gamma sub-complex
Descriptor: DODECYL-BETA-D-MALTOSIDE, Oxaloacetate decarboxylase beta chain, Probable oxaloacetate decarboxylase gamma chain
Authors:Xu, X, Shi, H, Zhang, X, Xiang, S.
Deposit date:2018-12-08
Release date:2020-06-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into sodium transport by the oxaloacetate decarboxylase sodium pump.
Elife, 9, 2020
3VCB
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BU of 3vcb by Molmil
C425S mutant of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59
Descriptor: RNA-directed RNA polymerase
Authors:Xu, X, Lou, Z, Ma, Y, Chen, X, Yang, Z, Tong, X, Zhao, Q, Xu, Y, Deng, H, Bartlam, M, Rao, Z.
Deposit date:2012-01-03
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59.
Plos One, 4, 2009
3VC8
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BU of 3vc8 by Molmil
Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59
Descriptor: RNA-directed RNA polymerase
Authors:Xu, X, Lou, Z, Ma, Y, Chen, X, Yang, Z, Tong, X, Zhao, Q, Xu, Y, Deng, H, Bartlam, M, Rao, Z.
Deposit date:2012-01-03
Release date:2012-01-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59.
Plos One, 4, 2009
4OIV
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BU of 4oiv by Molmil
Structural basis for small molecule NDB as a selective antagonist of FXR
Descriptor: Bile acid receptor, N-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide
Authors:Xu, X, Chen, L, Hu, L, Shen, X.
Deposit date:2014-01-20
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Small Molecule NDB (N-Benzyl-N-(3-(tert-butyl)-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino) Benzamide) as a Selective Antagonist of Farnesoid X Receptor alpha (FXR alpha ) in Stabilizing the Homodimerization of the Receptor.
J.Biol.Chem., 290, 2015
1T09
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BU of 1t09 by Molmil
Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex NADP
Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J.
Deposit date:2004-04-08
Release date:2004-06-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity
J.Biol.Chem., 279, 2004
1T0L
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BU of 1t0l by Molmil
Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP, isocitrate, and calcium(2+)
Descriptor: CALCIUM ION, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Xu, X, Zhao, J, Peng, B, Huang, Q, Arnold, E, Ding, J.
Deposit date:2004-04-10
Release date:2004-06-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity
J.Biol.Chem., 279, 2004
4ZLP
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BU of 4zlp by Molmil
Crystal Structure of Notch3 Negative Regulatory Region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Xu, X, Blacklow, S.C.
Deposit date:2015-05-01
Release date:2015-08-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.479 Å)
Cite:Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region.
Structure, 23, 2015
4ZSO
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BU of 4zso by Molmil
Crystal structure of a complex between B7-H6, a tumor cell ligand for natural cytotoxicity receptor NKp30, and an inhibitory antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
Authors:Xu, X, Li, Y, Mariuzza, R.A.
Deposit date:2015-05-13
Release date:2016-05-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a complex between B7-H6, a tumor cell ligand for natural cytotoxicity receptor NKp30, and an inhibitory antibody
to be published
3BEQ
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BU of 3beq by Molmil
Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Xu, X, Zhu, X, Wilson, I.A.
Deposit date:2007-11-19
Release date:2008-09-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural characterization of the 1918 influenza virus H1N1 neuraminidase
J.Virol., 82, 2008
3B7E
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BU of 3b7e by Molmil
Neuraminidase of A/Brevig Mission/1/1918 H1N1 strain in complex with zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Xu, X, Zhu, X, Wilson, I.A.
Deposit date:2007-10-30
Release date:2008-10-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural characterization of the 1918 influenza virus H1N1 neuraminidase
J.Virol., 82, 2008
1PCW
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BU of 1pcw by Molmil
Aquifex aeolicus KDO8PS in complex with cadmium and APP, a bisubstrate inhibitor
Descriptor: 1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION
Authors:Xu, X, Wang, J, Grison, C, Petek, S, Coutrot, P, Birck, M, Woodard, R.W, Gatti, D.L.
Deposit date:2003-05-17
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase.
Drug DES.DISCOVERY, 18, 2003
6UWT
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BU of 6uwt by Molmil
Clostridium difficile binary toxin translocase CDTb tetradecamer in symmetric conformation
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Xu, X, Pozharski, E, des Georges, A.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UWR
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BU of 6uwr by Molmil
Clostridium difficile binary toxin translocase CDTb in asymmetric tetradecamer conformation
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Xu, X, Pozharski, E, des Georges, A.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
2PV1
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BU of 2pv1 by Molmil
Crystallographic Structure of SurA first peptidyl-prolyl isomerase domain complexed with peptide WEYIPNV
Descriptor: Chaperone surA, Glycosyl transferase, group 1
Authors:Xu, X, McKay, D.B.
Deposit date:2007-05-09
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Periplasmic Bacterial Molecular Chaperone SurA Adapts its Structure to Bind Peptides in Different Conformations to Assert a Sequence Preference for Aromatic Residues.
J.Mol.Biol., 373, 2007
2PV3
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BU of 2pv3 by Molmil
Crystallographic Structure of SurA fragment lacking the second peptidyl-prolyl isomerase domain complexed with peptide NFTLKFWDIFRK
Descriptor: C-peptide, Chaperone surA
Authors:Xu, X, McKay, D.B.
Deposit date:2007-05-09
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:The Periplasmic Bacterial Molecular Chaperone SurA Adapts its Structure to Bind Peptides in Different Conformations to Assert a Sequence Preference for Aromatic Residues.
J.Mol.Biol., 373, 2007
1ZJI
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BU of 1zji by Molmil
Aquifex aeolicus KDO8PS R106G mutant in complex with 2PGA and R5P
Descriptor: 2-PHOSPHOGLYCERIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ...
Authors:Xu, X, Kona, F, Wang, J, Lu, J, Stemmler, T, Gatti, D.L.
Deposit date:2005-04-28
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop
Biochemistry, 44, 2005
1ZHA
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BU of 1zha by Molmil
A. aeolicus KDO8PS R106G mutant in complex with PEP and R5P
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ...
Authors:Xu, X, Kona, F, Wang, J, Lu, J, Stemmler, T, Gatti, D.L.
Deposit date:2005-04-25
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop.
Biochemistry, 44, 2005
2GTI
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BU of 2gti by Molmil
mutation of MHV coronavirus non-structural protein nsp15 (F307L)
Descriptor: GLYCEROL, Replicase polyprotein 1ab, SULFATE ION
Authors:Xu, X, Zhai, Y, Sun, F, Lou, Z, Su, D, Rao, Z.
Deposit date:2006-04-28
Release date:2006-08-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:New Antiviral Target Revealed by the Hexameric Structure of Mouse Hepatitis Virus Nonstructural Protein nsp15
J.Virol., 80, 2006
8AN4
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BU of 8an4 by Molmil
MenT1 toxin (rv0078a) from Mycobacterium tuberculosis H37Rv
Descriptor: Bacterial toxin
Authors:Xu, X, Usher, B, Gutierrez, C, Barriot, R, Arrowsmith, T.J, Han, X, Redder, P, Neyrolles, O, Blower, T.R, Genevaux, P.
Deposit date:2022-08-04
Release date:2023-08-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding.
Nat Commun, 14, 2023

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