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3GGW
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BU of 3ggw by Molmil
Crystal Structure of FAB F22-4 in complex with a Carbohydrate-mimetic peptide
Descriptor: FAB F22-4 HEAVY CHAIN, FAB F22-4 LIGHT CHAIN, PEPTIDE B1
Authors:Saul, F.A, Vulliez-Le Normand, B, Bentley, G.A.
Deposit date:2009-03-02
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mimicry of O-Antigen by a Peptide Revealed in a Complex with an Antibody Raised against Shigella flexneri Serotype 2a
J.Mol.Biol., 388, 2009
2PJL
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BU of 2pjl by Molmil
Crystal Structure of Human Estrogen-Related Receptor alpha in Complex with a Synthetic Inverse Agonist reveals its Novel Molecular Mechanism
Descriptor: 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE, Steroid hormone receptor ERR1
Authors:Kallen, J.
Deposit date:2007-04-16
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.
J.Biol.Chem., 282, 2007
8EFU
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BU of 8efu by Molmil
a22L prion fibril
Descriptor: Major prion protein
Authors:Hoyt, F, Caughey, B.
Deposit date:2022-09-09
Release date:2022-11-02
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM of prion strains from the same genotype of host identifies conformational determinants.
Plos Pathog., 18, 2022
3CS9
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BU of 3cs9 by Molmil
Human ABL kinase in complex with nilotinib
Descriptor: Nilotinib, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Fendrich, G, Manley, P, Liebetanz, J, Fabbro, D.
Deposit date:2008-04-09
Release date:2008-04-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl
Cancer Cell, 7, 2005
8FWP
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BU of 8fwp by Molmil
Crystal Structure of CDC10 - CDC3 heterocomplex from Saccharomyces cerevisiae
Descriptor: Cell division control protein 10, Cell division control protein 3, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Silva, R.M, Leonardo, D.A, Pereira, H.M, Garratt, R.C.
Deposit date:2023-01-23
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A key piece of the puzzle: The central tetramer of the Saccharomyces cerevisiae septin protofilament and its implications for self-assembly.
J.Struct.Biol., 215, 2023
6Q7M
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BU of 6q7m by Molmil
Spiral structure of E. coli RavA in the RavA-LdcI cage-like complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase RavA, Inducible lysine decarboxylase, ...
Authors:Arragain, B, Felix, J, Malet, H, Gutsche, I, Jessop, M.
Deposit date:2018-12-13
Release date:2020-02-12
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex.
Commun Biol, 3, 2020
6Q7L
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BU of 6q7l by Molmil
Spiral structure of E. coli RavA in the RavA-LdcI cage-like complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase RavA, Inducible lysine decarboxylase, ...
Authors:Arragain, B, Felix, J, Malet, H, Gutsche, I, Jessop, M.
Deposit date:2018-12-13
Release date:2020-02-12
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex.
Commun Biol, 3, 2020
5OA4
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BU of 5oa4 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with 4-methoxycyclopeptin (1)
Descriptor: (3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Groll, M, Braeuer, A, Kaila, V.R.I.
Deposit date:2017-06-20
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
5OA7
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BU of 5oa7 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with cyclopeptin (1b)
Descriptor: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
Authors:Groll, M, Braeuer, A, Kaila, V.R.I.
Deposit date:2017-06-21
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
5OA8
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BU of 5oa8 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d)
Descriptor: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
Authors:Groll, M, Braeuer, A, Kaila, V.R.I.
Deposit date:2017-06-21
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
6EOZ
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BU of 6eoz by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72K mutant in complex with cyclopeptin (1b)
Descriptor: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
Authors:Groll, M, Braeuer, A, Kaila, V.R.I.
Deposit date:2017-10-10
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
3MS9
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BU of 3ms9 by Molmil
ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ...
Authors:Cowan-Jacob, S.W, Rummel, G, Fendrich, G.
Deposit date:2010-04-29
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
5VDR
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BU of 5vdr by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cdIMP
Descriptor: 3',3'-cdIMP, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.042 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5VDP
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BU of 5vdp by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 2',3'-cGAMP
Descriptor: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION, ...
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5VDO
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BU of 5vdo by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 2',2'-cGAMP
Descriptor: 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.218 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5VDU
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BU of 5vdu by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F2
Descriptor: 2-(pyridin-2-yl)pyrimidine, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.729 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5VDV
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BU of 5vdv by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F3
Descriptor: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION, ...
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5VDT
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BU of 5vdt by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cGAMP
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.576 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5VDS
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BU of 5vds by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 3',3'-cdUMP
Descriptor: 3',3'-cdUMP, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.766 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5VDW
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BU of 5vdw by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F1
Descriptor: Cyclic GMP-AMP synthase, ZINC ION, [2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetic acid
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
5VDQ
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BU of 5vdq by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with 2',5'-GpAp
Descriptor: 2',5'-GpAp, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.246 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
3MSS
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BU of 3mss by Molmil
Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, O-benzyl-N-methyl-L-tyrosinamide, Tyrosine-protein kinase ABL1
Authors:Cowan-Jacob, S.W, Rummel, G, Fendrich, G.
Deposit date:2010-04-29
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay.
J.Am.Chem.Soc., 132, 2010
4C9T
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BU of 4c9t by Molmil
BACTERIAL CHALCONE ISOMERASE IN open CONFORMATION FROM EUBACTERIUM RAMULUS AT 2.0 A RESOLUTION, SelenoMet derivative
Descriptor: CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL, ...
Authors:Thomsen, M, Palm, G.J, Hinrichs, W.
Deposit date:2013-10-03
Release date:2014-10-22
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
4C9S
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BU of 4c9s by Molmil
BACTERIAL CHALCONE ISOMERASE IN open CONFORMATION FROM EUBACTERIUM RAMULUS AT 1.8 A RESOLUTION
Descriptor: CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL, ...
Authors:Thomsen, M, Palm, G.J, Hinrichs, W.
Deposit date:2013-10-03
Release date:2014-10-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
6I2I
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BU of 6i2i by Molmil
Refined 13pf Hela Cell Tubulin microtubule (EML4-NTD decorated)
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Atherton, J.M, Moores, C.A.
Deposit date:2018-11-01
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mitotic phosphorylation by NEK6 and NEK7 reduces the microtubule affinity of EML4 to promote chromosome congression.
Sci.Signal., 12, 2019

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数据于2024-10-09公开中

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