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3NUS
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BU of 3nus by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment8
Descriptor: 1H-indazol-3-amine, GLYCEROL, SULFATE ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
8Q7E
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BU of 8q7e by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex - hexameric assembly
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1
Authors:Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-04-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 31, 2024
3OII
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BU of 3oii by Molmil
Crystal structure of Saccharomyces Cerevisiae Nep1/Emg1 bound to S-adenosylhomocysteine
Descriptor: Essential for mitotic growth 1, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Thomas, S.R, Szyk, A, LaRonde-LeBlanc, N.
Deposit date:2010-08-19
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insight into the functional mechanism of Nep1/Emg1 N1-specific pseudouridine methyltransferase in ribosome biogenesis.
Nucleic Acids Res., 39, 2011
8Q7H
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BU of 8q7h by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated and neddylated conformation - focused cullin dimer
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1, NEDD8, ...
Authors:Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-04-17
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 31, 2024
3OIJ
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BU of 3oij by Molmil
Crystal structure of Saccharomyces Cerevisiae Nep1/Emg1 bound to S-adenosylhomocysteine and 2 molecules of cognate RNA
Descriptor: 5'-R(*GP*GP*GP*CP*UP*UP*CP*AP*AP*CP*GP*CP*CP*C)-3', Essential for mitotic growth 1, MAGNESIUM ION, ...
Authors:Thomas, S.R, LaRonde-LeBlanc, N.
Deposit date:2010-08-19
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insight into the functional mechanism of Nep1/Emg1 N1-specific pseudouridine methyltransferase in ribosome biogenesis.
Nucleic Acids Res., 39, 2011
3OI7
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BU of 3oi7 by Molmil
Structure of the structure of the H13A mutant of Ykr043C in complex with sedoheptulose-1,7-bisphosphate
Descriptor: 1,2-ETHANEDIOL, 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose, GLYCEROL, ...
Authors:Singer, A.U, Xu, X, Dong, A, Cui, H, Clasquin, M.F, Caudy, A.A, Edwards, A.M, Savchenko, A, Joachimiak, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-18
Release date:2010-11-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Riboneogenesis in yeast.
Cell(Cambridge,Mass.), 145, 2011
3OIN
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BU of 3oin by Molmil
Crystal structure of Saccharomyces cerevisiae Nep1/Emg1 bound to S-adenosylhomocysteine and 1 molecule of cognate RNA
Descriptor: 5'-R(*GP*GP*GP*CP*UP*UP*CP*AP*AP*CP*GP*CP*CP*C)-3', CHLORIDE ION, GLYCEROL, ...
Authors:Thomas, S.R, LaRonde-LeBlanc, N.
Deposit date:2010-08-19
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insight into the functional mechanism of Nep1/Emg1 N1-specific pseudouridine methyltransferase in ribosome biogenesis.
Nucleic Acids Res., 39, 2011
3OWD
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BU of 3owd by Molmil
Crystal Structure of HSP90 with N-Aryl-benzimidazolone II
Descriptor: Heat shock protein HSP 90-alpha, N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
Authors:Park, C.H.
Deposit date:2010-09-17
Release date:2011-09-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OUK
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BU of 3ouk by Molmil
Crystal structure of Rv3910 from Mycobacterium Tuberculosis
Descriptor: PROBABLE CONSERVED TRANSMEMBRANE PROTEIN
Authors:Gee, C.L, Alber, T.
Deposit date:2010-09-15
Release date:2012-02-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.402 Å)
Cite:A phosphorylated pseudokinase complex controls cell wall synthesis in mycobacteria
Sci.Signal., 5, 2012
3OWB
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BU of 3owb by Molmil
Crystal Structure of HSP90 with VER-49009
Descriptor: 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, Heat shock protein HSP 90-alpha
Authors:Park, C.H.
Deposit date:2010-09-17
Release date:2011-09-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OTV
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BU of 3otv by Molmil
Crystal structure of the intracellular domain of Rv3910 from Mycobacterium tuberculosis
Descriptor: PROBABLE CONSERVED TRANSMEMBRANE PROTEIN
Authors:Gee, C.L, Alber, T.
Deposit date:2010-09-14
Release date:2012-02-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.094 Å)
Cite:A phosphorylated pseudokinase complex controls cell wall synthesis in mycobacteria
Sci.Signal., 5, 2012
9CPB
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BU of 9cpb by Molmil
Atomic model of bovine Fallopian tube cilia doublet microtubule (48-nm periodicity)
Descriptor: Armadillo repeat containing 4, CFAP141, CFAP276, ...
Authors:Zeng, J, Sun, C, Zhang, R.
Deposit date:2024-07-18
Release date:2024-10-30
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural diversity of axonemes across mammalian motile cilia
To Be Published
9FXF
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BU of 9fxf by Molmil
VHH variant adression natural cytotoxicity triggering receptor 3
Descriptor: 12-HYDROXYDODECANOIC ACID, PHOSPHATE ION, VHH
Authors:Musil, D, Freire, F.
Deposit date:2024-07-01
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.067 Å)
Cite:On the humanization of VHHs: Prospective case studies, experimental and computational characterization of structural determinants for functionality.
Protein Sci., 33, 2024
7JZH
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BU of 7jzh by Molmil
The Cryo-EM structure of the Glutamate decarboxylase from Escherichia coli
Descriptor: Glutamate decarboxylase
Authors:Su, C.-C.
Deposit date:2020-09-02
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
3OON
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BU of 3oon by Molmil
The structure of an outer membrance protein from Borrelia burgdorferi B31
Descriptor: Outer membrane protein (Tpn50), SULFATE ION
Authors:Fan, Y, Bigelow, L, Feldman, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-31
Release date:2010-09-22
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Insights into PG-binding, conformational change, and dimerization of the OmpA C-terminal domains from Salmonella enterica serovar Typhimurium and Borrelia burgdorferi.
Protein Sci., 26, 2017
9FWW
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BU of 9fww by Molmil
Human NKp30 in complex with a VHH variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Natural cytotoxicity triggering receptor 3, VHH, ...
Authors:Musil, D, Freire, F.
Deposit date:2024-07-01
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:On the humanization of VHHs: Prospective case studies, experimental and computational characterization of structural determinants for functionality.
Protein Sci., 33, 2024
3OTQ
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BU of 3otq by Molmil
Soluble Epoxide Hydrolase in complex with pyrazole antagonist
Descriptor: Epoxide hydrolase 2, N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2010-09-13
Release date:2010-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain.
Bioorg.Med.Chem.Lett., 20, 2010
3OW6
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BU of 3ow6 by Molmil
Crystal Structure of HSP90 with N-Aryl-benzimidazolone I
Descriptor: 1-(2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha
Authors:Park, C.H.
Deposit date:2010-09-17
Release date:2011-09-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7JWQ
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BU of 7jwq by Molmil
Fab CJ11 in complex IL-1beta peptide liberated by Caspase cleavage
Descriptor: Fab CJ11 Heavy chain, Fab CJ11 Light chain, IL-1beta peptide
Authors:Payandeh, J, Ho, H.
Deposit date:2020-08-26
Release date:2021-03-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Discovery of a caspase cleavage motif antibody reveals insights into noncanonical inflammasome function.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JWP
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BU of 7jwp by Molmil
Fab CJ11 in complex IL-18 peptide liberated by Caspase cleavage
Descriptor: Fab CJ11 Heavy chain, Fab CJ11 Light chain, IL-18 peptide
Authors:Payandeh, J, Ho, H.
Deposit date:2020-08-26
Release date:2021-03-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of a caspase cleavage motif antibody reveals insights into noncanonical inflammasome function.
Proc.Natl.Acad.Sci.USA, 118, 2021
8S9D
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BU of 8s9d by Molmil
C143S variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8S97
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BU of 8s97 by Molmil
C143W variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8S9F
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BU of 8s9f by Molmil
Crystal structure of the kinase domain of Bruton's Tyrosine Kinase bound to dasatinib
Descriptor: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase BTK
Authors:Lin, D.Y, Andreotti, A.H.
Deposit date:2023-03-28
Release date:2023-08-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024
1E4T
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BU of 1e4t by Molmil
Solution structure of the mouse defensin mBD-7
Descriptor: Beta-defensin 7
Authors:Bauer, F, Schweimer, K, Kluver, E, Adermann, K, Forssmann, W.G, Roesch, P, Sticht, H.
Deposit date:2000-07-12
Release date:2001-07-12
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Structure determination of human and murine beta-defensins reveals structural conservation in the absence of significant sequence similarity.
Protein Sci., 10, 2001
8S93
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BU of 8s93 by Molmil
Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase
Descriptor: 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, GLYCEROL, Tyrosine-protein kinase BTK, ...
Authors:Lin, D.Y, Andreotti, A.H.
Deposit date:2023-03-27
Release date:2023-08-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states.
Elife, 12, 2024

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