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5HL3
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BU of 5hl3 by Molmil
Crystal structure of Listeria monocytogenes InlP
Descriptor: CALCIUM ION, CHLORIDE ION, Lmo2470 protein
Authors:Nocadello, S, Light, S.H, Minasov, G, Kiryukhina, O, Kwon, K, Faralla, C, Bakardjiev, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Listeria monocytogenes InlP interacts with afadin and facilitates basement membrane crossing.
Plos Pathog., 14, 2018
5HVL
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BU of 5hvl by Molmil
Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and validoxylamine A
Descriptor: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], SULFATE ION, ...
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-28
Release date:2017-05-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5HLN
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BU of 5hln by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ...
Authors:White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
Deposit date:2016-01-15
Release date:2016-05-25
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
5HVO
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BU of 5hvo by Molmil
Structure of Aspergillus fumigatus trehalose-6-phosphate synthase B in complex with UDP and validoxylamine A
Descriptor: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-28
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.467 Å)
Cite:Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5HPS
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BU of 5hps by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1 and UbV P1.1
Descriptor: Ubiquitin variant P1.1, WWP1 HECT
Authors:Wu, K.-P, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HX8
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BU of 5hx8 by Molmil
Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
Descriptor: 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one, Tyrosine-protein kinase JAK1
Authors:Su, H.P.
Deposit date:2016-01-29
Release date:2016-03-16
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design and development of (benz)imidazole pyridones as JAK1-selective kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3HDN
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BU of 3hdn by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
Descriptor: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
Authors:Zhao, B, Hammond, M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3HDM
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BU of 3hdm by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 1
Descriptor: 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Serine/threonine-protein kinase Sgk1
Authors:Zhao, B, Hammond, M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3IG3
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BU of 3ig3 by Molmil
Crystal structure of mouse Plexin A3 intracellular domain
Descriptor: GLYCEROL, Plxna3 protein
Authors:He, H, Zhang, X.
Deposit date:2009-07-27
Release date:2009-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of the plexin A3 intracellular region reveals an autoinhibited conformation through active site sequestration.
Proc.Natl.Acad.Sci.USA, 106, 2009
3IKA
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BU of 3ika by Molmil
Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002
Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2009-08-05
Release date:2010-01-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.
Nature, 462, 2009
3IN5
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BU of 3in5 by Molmil
Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*CP*TP*AP*(8OG)P*GP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*G*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*(DOC))-3'), ...
Authors:Silverstein, T.D, Vasquez-Del Carpio, R, Aggarwal, A.K.
Deposit date:2009-08-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion
PLOS ONE, 4, 2009
3IFK
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BU of 3ifk by Molmil
Crystal Structure Of Calcium-Saturated Calmodulin N-terminal Domain Fragment, Residues 1-90
Descriptor: CALCIUM ION, CALMODULIN
Authors:Witt, T.J, Newman, R.A, Shea, M.A.
Deposit date:2009-07-24
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Thermodynamics and conformational change governing domain-domain interactions of calmodulin.
Methods Enzymol., 466, 2009
2Z2S
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BU of 2z2s by Molmil
Crystal Structure of Rhodobacter sphaeroides SigE in complex with the anti-sigma ChrR
Descriptor: Anti-Sigma factor ChrR, transcriptional activator ChrR, RpoE, ...
Authors:Darst, S.A, Campbell, E.A.
Deposit date:2007-05-26
Release date:2008-02-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A conserved structural module regulates transcriptional responses to diverse stress signals in bacteria.
Mol.Cell, 27, 2007
3I7G
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BU of 3i7g by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
Descriptor: 5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3I7I
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BU of 3i7i by Molmil
MMP-13 in complex with a non zinc-chelating inhibitor
Descriptor: CALCIUM ION, Collagenase 3, N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide, ...
Authors:Farrow, N.A, Margarit, S.M.
Deposit date:2009-07-08
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3KG6
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BU of 3kg6 by Molmil
Dehydratase domain from CurF module of Curacin polyketide synthase
Descriptor: CALCIUM ION, CurF
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
3KG8
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BU of 3kg8 by Molmil
Dehydratase domain from CurJ module of Curacin polyketide synthase
Descriptor: CurJ
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
3K9B
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BU of 3k9b by Molmil
Crystal structure of human liver carboxylesterase 1 (hCE1) in covalent complex with the nerve agent Cyclosarin (GF)
Descriptor: Liver carboxylesterase 1, cyclohexyl (S)-methylphosphonofluoridoate
Authors:Hemmert, A.C, Redinbo, M.R.
Deposit date:2009-10-15
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human carboxylesterase 1 stereoselectively binds the nerve agent cyclosarin and spontaneously hydrolyzes the nerve agent sarin.
Mol.Pharmacol., 77, 2010
3JSX
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BU of 3jsx by Molmil
X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1
Descriptor: 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Dunstan, M.S, Levy, C, Leys, D.
Deposit date:2009-09-11
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
J.Med.Chem., 52, 2009
3JAM
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BU of 3jam by Molmil
CryoEM structure of 40S-eIF1A-eIF1 complex from yeast
Descriptor: 18S rRNA, MAGNESIUM ION, RACK1, ...
Authors:Llacer, J.L, Hussain, T, Ramakrishnan, V.
Deposit date:2015-06-17
Release date:2015-08-12
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Conformational Differences between Open and Closed States of the Eukaryotic Translation Initiation Complex.
Mol.Cell, 59, 2015
3L54
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BU of 3l54 by Molmil
Structure of Pi3K gamma with inhibitor
Descriptor: 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Elkins, P.A, Smallwood, A.M.
Deposit date:2009-12-21
Release date:2010-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
3BAX
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BU of 3bax by Molmil
N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Azide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AZIDE ION, CALCIUM ION, ...
Authors:Maurus, R, Brayer, G.D.
Deposit date:2007-11-08
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
3BBX
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BU of 3bbx by Molmil
The Hsp15 protein fitted into the low resolution Cryo-EM map of the 50S.nc-tRNA.Hsp15 complex
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Jiang, L, Abrahams, J.P.
Deposit date:2007-11-11
Release date:2008-10-21
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Recycling of Aborted Ribosomal 50S Subunit-Nascent Chain-tRNA Complexes by the Heat Shock Protein Hsp15.
J.Mol.Biol., 386, 2009
3J80
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BU of 3j80 by Molmil
CryoEM structure of 40S-eIF1-eIF1A preinitiation complex
Descriptor: 18S rRNA, MAGNESIUM ION, RACK1, ...
Authors:Hussain, T, Llacer, J.L, Fernandez, I.S, Savva, C.G, Ramakrishnan, V.
Deposit date:2014-08-28
Release date:2014-11-05
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structural changes enable start codon recognition by the eukaryotic translation initiation complex.
Cell(Cambridge,Mass.), 159, 2014
3J1W
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BU of 3j1w by Molmil
A refined model of the prototypical Salmonella typhimurium T3SS basal body reveals the molecular basis for its assembly
Descriptor: Protein PrgH
Authors:Sgourakis, N.G, Worrall, L.J, Strynadka, N.C.J, Baker, D.
Deposit date:2012-07-10
Release date:2013-05-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (11.7 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013

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数据于2024-07-17公开中

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