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3FU6
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BU of 3fu6 by Molmil
Leukotriene A4 hydrolase in complex with fragment (4-thiophen-2-ylphenyl)methanamine
Descriptor: 1-(4-thiophen-2-ylphenyl)methanamine, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUN
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BU of 3fun by Molmil
Leukotriene A4 hydrolase in complex with {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3GZ8
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BU of 3gz8 by Molmil
Cocrystal structure of NUDIX domain of Shewanella oneidensis NrtR complexed with ADP ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, MutT/nudix family protein
Authors:Huang, N, Zhang, H.
Deposit date:2009-04-06
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
3H87
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BU of 3h87 by Molmil
Rv0301 Rv0300 Toxin Antitoxin Complex from Mycobacterium tuberculosis
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, IMIDAZOLE, ...
Authors:Min, A, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2009-04-28
Release date:2009-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The crystal structure of the Rv0301-Rv0300 VapBC-3 toxin-antitoxin complex from M. tuberculosis reveals a Mg(2+) ion in the active site and a putative RNA-binding site.
Protein Sci., 21, 2012
3DT1
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BU of 3dt1 by Molmil
P38 Complexed with a quinazoline inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
Authors:Herberich, B, Syed, R, Li, V, Tasker, A.S.
Deposit date:2008-07-14
Release date:2008-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
3E4Z
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BU of 3e4z by Molmil
Crystal structure of human insulin degrading enzyme in complex with insulin-like growth factor II
Descriptor: Insulin-degrading enzyme, Insulin-like growth factor II, ZINC ION
Authors:Guo, Q, Manolopoulou, M, Tang, W.-J.
Deposit date:2008-08-12
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme.
J.Mol.Biol., 395, 2010
3ES0
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BU of 3es0 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6048
Descriptor: 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3FOD
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BU of 3fod by Molmil
AILSST segment from Islet Amyloid Polypeptide
Descriptor: AILSST hexapeptide segment from Islet Amyloid Polypeptide
Authors:Wiltzius, J.J.W, Sawaya, M.R, Rajashankar, K, Eisenberg, D.
Deposit date:2008-12-29
Release date:2009-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
3GZ5
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BU of 3gz5 by Molmil
Crystal structure of Shewanella oneidensis NrtR
Descriptor: MutT/nudix family protein, SODIUM ION
Authors:Huang, N, Zhang, H.
Deposit date:2009-04-06
Release date:2009-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
3HC5
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BU of 3hc5 by Molmil
FXR with SRC1 and GSK826
Descriptor: 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2009-05-05
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3GZ6
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BU of 3gz6 by Molmil
Crystal structure of Shewanella oneidensis NrtR complexed with a 27mer DNA
Descriptor: DNA (27-MER), MutT/nudix family protein, SODIUM ION
Authors:Huang, N, Zhang, H.
Deposit date:2009-04-06
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
3DCU
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BU of 3dcu by Molmil
FXR with SRC1 and GSK8062
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2008-06-04
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3H4R
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BU of 3h4r by Molmil
Crystal structure of E. coli RecE exonuclease
Descriptor: Exodeoxyribonuclease 8
Authors:Bell, C.E, Zhang, J.
Deposit date:2009-04-20
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of E. coli RecE protein reveals a toroidal tetramer for processing double-stranded DNA breaks.
Structure, 17, 2009
3HC6
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BU of 3hc6 by Molmil
FXR with SRC1 and GSK088
Descriptor: 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
Authors:Williams, S.P, Madauss, K.P.
Deposit date:2009-05-05
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3HGZ
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BU of 3hgz by Molmil
Crystal structure of human insulin-degrading enzyme in complex with amylin
Descriptor: Insulin-degrading enzyme, Islet amyloid polypeptide, ZINC ION
Authors:Guo, Q, Bian, Y, Tang, W.J.
Deposit date:2009-05-14
Release date:2009-12-08
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme.
J.Mol.Biol., 395, 2010
8DCQ
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BU of 8dcq by Molmil
CRYSTAL STRUCTURE OF HIV-1 LM/HT CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH YIR-821
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HT Clade A/E CRF01 gp120 core, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2022-06-17
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of a Novel CD4 Mimetic Compound YIR-821 against HIV-1 Clinical Isolates.
J.Virol., 97, 2023
8CT6
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BU of 8ct6 by Molmil
1F8 mAb in complex with the computationally optimized broadly reactive H1 influenza hemagglutinin P1
Descriptor: 1F8 heavy chain, 1F8 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dzimianski, J.V, DuBois, R.M.
Deposit date:2022-05-13
Release date:2023-04-19
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the broad protection against H1 influenza viruses by a computationally optimized hemagglutinin vaccine.
Commun Biol, 6, 2023
8D21
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BU of 8d21 by Molmil
Cryo-EM structure of the VRC321 clinical trial, vaccine-elicited, human antibody 1B06 in complex with a stabilized NC99 HA trimer
Descriptor: 1B06 Heavy Chain, 1B06 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2022-05-27
Release date:2023-04-12
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:An influenza H1 hemagglutinin stem-only immunogen elicits a broadly cross-reactive B cell response in humans.
Sci Transl Med, 15, 2023
3ONF
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BU of 3onf by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with cordycepin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3'-DEOXYADENOSINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
8DP6
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BU of 8dp6 by Molmil
Crystal structure of Helicobacter pylori EgtU
Descriptor: Osmoprotection protein, SULFATE ION
Authors:Duncan-Lowey, B, Zhou, W, Kranzusch, P.J.
Deposit date:2022-07-15
Release date:2022-11-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A microbial transporter of the dietary antioxidant ergothioneine.
Cell, 185, 2022
8DP7
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BU of 8dp7 by Molmil
Structure of Helicobacter pylori EgtU bound to EGT
Descriptor: Osmoprotection protein, trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Authors:Duncan-Lowey, B, Zhou, W, Kranzusch, P.J.
Deposit date:2022-07-15
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:A microbial transporter of the dietary antioxidant ergothioneine.
Cell, 185, 2022
3OND
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BU of 3ond by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ...
Authors:Brzezinski, K, Jaskolski, M.
Deposit date:2010-08-28
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
8E1P
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BU of 8e1p by Molmil
Crystal structure of BG505 SOSIP.v4.1-GT1.2 trimer in complex with gl-PGV20 and PGT124 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505-SOSIP.v4.1-GT1.2gp120, ...
Authors:Sarkar, A, Kumar, S, Wilson, I.A.
Deposit date:2022-08-11
Release date:2023-06-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.82 Å)
Cite:Germline-targeting HIV-1 Env vaccination induces VRC01-class antibodies with rare insertions.
Cell Rep Med, 4, 2023
8EB5
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BU of 8eb5 by Molmil
Tandem of Hermes transposase BED domain in complex with the quasi palindrome of its transposon left-end
Descriptor: Hermes transposase BED domain, Hermes transposon left-end subterminal repeats 1 and 2, ZINC ION
Authors:Lannes, L, Dyda, F.
Deposit date:2022-08-30
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Zinc-finger BED domains drive the formation of the active Hermes transpososome by asymmetric DNA binding.
Nat Commun, 14, 2023
8EDG
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BU of 8edg by Molmil
Cryo-EM structure of the Hermes transposase bound to two left-ends of its DNA transposon
Descriptor: DNA (46-MER), DNA (5'-D(*GP*CP*GP*TP*GP*AP*A)-3'), DNA (55-MER), ...
Authors:Lannes, L, Dyda, F.
Deposit date:2022-09-04
Release date:2023-08-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Zinc-finger BED domains drive the formation of the active Hermes transpososome by asymmetric DNA binding.
Nat Commun, 14, 2023

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