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3U8D
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Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism
Descriptor: (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F.
Deposit date:2011-10-16
Release date:2012-10-17
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
5L8G
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BU of 5l8g by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant H65A
Descriptor: CALCIUM ION, Uncharacterized protein
Authors:He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J.
Deposit date:2016-06-07
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.974 Å)
Cite:Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
2LF3
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BU of 2lf3 by Molmil
Solution NMR structure of HopPmaL_281_385 from Pseudomonas syringae pv. maculicola str. ES4326, Midwest Center for Structural Genomics target APC40104.5 and Northeast Structural Genomics Consortium target PsT2A
Descriptor: Effector protein hopAB3
Authors:Wu, B, Yee, A, Houliston, S, Semesi, A, Garcia, M, Singer, A.U, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2011-06-28
Release date:2011-07-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012
6QGB
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BU of 6qgb by Molmil
Crystal structure of Ideonella sakaiensis MHETase bound to benzoic acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BENZOIC ACID, CALCIUM ION, ...
Authors:Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G.
Deposit date:2019-01-10
Release date:2019-04-03
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
5LB6
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BU of 5lb6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R371H variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LBE
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BU of 5lbe by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) G294E variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
Descriptor: BICARBONATE ION, Egl nine homolog 1, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6QH0
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BU of 6qh0 by Molmil
The complex structure of hsRosR-S5 (VNG0258H/RosR-S5)
Descriptor: DNA (28-MER), MANGANESE (II) ION, SULFATE ION, ...
Authors:Shaanan, B, Kutnowski, N.
Deposit date:2019-01-14
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.436 Å)
Cite:Specificity of protein-DNA interactions in hypersaline environment: structural studies on complexes of Halobacterium salinarum oxidative stress-dependent protein hsRosR.
Nucleic Acids Res., 47, 2019
2L9W
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BU of 2l9w by Molmil
Solution Structure of the C-terminal domain of Prp24
Descriptor: U4/U6 snRNA-associated-splicing factor PRP24
Authors:Martin-Tumasz, S.A, Butcher, S.E.
Deposit date:2011-02-25
Release date:2011-06-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A novel occluded RNA recognition motif in Prp24 unwinds the U6 RNA internal stem loop.
Nucleic Acids Res., 39, 2011
5KJ8
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BU of 5kj8 by Molmil
Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from synchrotron diffraction
Descriptor: CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ...
Authors:Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T.
Deposit date:2016-06-17
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex.
Elife, 5, 2016
6QFL
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BU of 6qfl by Molmil
Structure of the mitogen activated kinase kinase 7 active conformation
Descriptor: Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wolle, P, Mueller, M.P, Rauh, D.
Deposit date:2019-01-10
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
6R0W
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BU of 6r0w by Molmil
Thermus thermophilus V/A-type ATPase/synthase, rotational state 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ...
Authors:Zhou, L, Sazanov, L.
Deposit date:2019-03-13
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase.
Science, 365, 2019
6QV4
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BU of 6qv4 by Molmil
Crystal structure of the Ski2 RNA-helicase Brr2 from Chaetomium thermophilum bound to ATP-gamma-S
Descriptor: ACETATE ION, MANGANESE (II) ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Absmeier, E, Santos, K.F, Wahl, M.C.
Deposit date:2019-03-01
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Mechanism Underlying Inhibition of Intrinsic ATPase Activity in a Ski2-like RNA Helicase.
Structure, 28, 2020
6R0Z
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BU of 6r0z by Molmil
Thermus thermophilus V/A-type ATPase/synthase, rotational state 1L
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ...
Authors:Zhou, L, Sazanov, L.
Deposit date:2019-03-13
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase.
Science, 365, 2019
6R0Y
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BU of 6r0y by Molmil
Thermus thermophilus V/A-type ATPase/synthase, rotational state 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ...
Authors:Zhou, L, Sazanov, L.
Deposit date:2019-03-13
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase.
Science, 365, 2019
5KWJ
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BU of 5kwj by Molmil
M.tb Ag85C modified at C209 by amino-ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(4-aminophenyl)-2-selanyl-benzamide
Authors:Goins, C.M, Ronning, D.R.
Deposit date:2016-07-18
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
6QG5
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BU of 6qg5 by Molmil
Structure of eIF2B-eIF2 (phosphorylated at Ser51) complex (model C)
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
Authors:Llacer, J.L, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2019-01-10
Release date:2019-06-26
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (10.1 Å)
Cite:Structural basis for the inhibition of translation through eIF2 alpha phosphorylation.
Nat Commun, 10, 2019
6QJ7
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BU of 6qj7 by Molmil
Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}'-[(2~{S})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide
Authors:Graedler, U.
Deposit date:2019-01-23
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1)
To Be Published
6R15
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BU of 6r15 by Molmil
Crystal structure of the SUN1-KASH1 6:6 complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nesprin-1, POTASSIUM ION, ...
Authors:Gurusaran, M, Davies, O.R.
Deposit date:2019-03-13
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A molecular mechanism for LINC complex branching by structurally diverse SUN-KASH 6:6 assemblies.
Elife, 10, 2021
2LKQ
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BU of 2lkq by Molmil
NMR structure of the lambda 5 22-45 peptide
Descriptor: Immunoglobulin lambda-like polypeptide 1
Authors:Elantak, L, Espeli, M, Boned, A, Bornet, O, Breton, C, Feracci, M, Roche, P, Guerlesquin, F, Schiff, C.
Deposit date:2011-10-19
Release date:2012-10-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Galectin-1-dependent Pre-B Cell Receptor (Pre-BCR) Activation.
J.Biol.Chem., 287, 2012
6QJK
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BU of 6qjk by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P43
Descriptor: Disks large homolog 4, GLYCEROL, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2019-01-24
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.046 Å)
Cite:Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95.
Acta Crystallogr D Struct Biol, 75, 2019
6QIR
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BU of 6qir by Molmil
Crystal structure of CAG repeats with synthetic CMBL3a compound (model I)
Descriptor: CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3')
Authors:Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K.
Deposit date:2019-01-21
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.531 Å)
Cite:Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019
2LSJ
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BU of 2lsj by Molmil
Solution structure of the mouse Rev1 CTD in complex with the Rev1-interacting Region (RIR)of Pol Kappa
Descriptor: DNA polymerase kappa, DNA repair protein REV1
Authors:Liu, J, Wojtaszek, J, Zhou, P.
Deposit date:2012-05-01
Release date:2012-06-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multifaceted recognition of vertebrate Rev1 by translesion polymerases zeta and kappa.
J.Biol.Chem., 287, 2012
2LP6
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BU of 2lp6 by Molmil
Refined Solution NMR Structure of the 50S ribosomal protein L35Ae from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target (NESG) PfR48
Descriptor: 50S ribosomal protein L35Ae
Authors:Snyder, D.A, Aramini, J.M, Yu, B, Huang, Y.J, Xiao, R, Cort, J.R, Shastry, R, Ma, L, Liu, J, Rost, B, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-02-02
Release date:2012-02-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of the ribosomal protein RP-L35Ae from Pyrococcus furiosus.
Proteins, 80, 2012
5KZ7
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BU of 5kz7 by Molmil
Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
Descriptor: 7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
Authors:Su, H.P, Munshi, S.K.
Deposit date:2016-07-23
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6QJU
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BU of 6qju by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with 3-bromo-1H-indazol-5-amine
Descriptor: 1,2-ETHANEDIOL, 3-bromanyl-2~{H}-indazol-5-amine, Bromodomain-containing protein 3, ...
Authors:Braun, M.B, Stehle, T, Heidrich, J.
Deposit date:2019-01-25
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.202 Å)
Cite:Br-O-modomain (BRD3) halogen binding to a small molecule
To Be Published

223790

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