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5M5P
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BU of 5m5p by Molmil
S. cerevisiae spliceosomal helicase Brr2 (271-end) in complex with the Jab/MPN domain of S. cerevisiae Prp8
Descriptor: Pre-mRNA-splicing factor 8, Pre-mRNA-splicing helicase BRR2
Authors:Becke, C, Absmeier, E, Wollenhaupt, J, Santos, K.F, Wahl, M.C.
Deposit date:2016-10-22
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Interplay of cis- and trans-regulatory mechanisms in the spliceosomal RNA helicase Brr2.
Cell Cycle, 16, 2017
5D11
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BU of 5d11 by Molmil
Kinase domain of cSrc in complex with RL235
Descriptor: GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Becker, C, Gruetter, C, Engel, J, Rauh, D.
Deposit date:2015-08-03
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
5D12
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BU of 5d12 by Molmil
Kinase domain of cSrc in complex with RL40
Descriptor: N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Becker, C, Richters, A, Engel, J, Rauh, D.
Deposit date:2015-08-03
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
5J9Y
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BU of 5j9y by Molmil
EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b
Descriptor: (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor
Authors:Becker, C, Engel, J, Rauh, D.
Deposit date:2016-04-11
Release date:2016-08-17
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5J9Z
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BU of 5j9z by Molmil
EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a
Descriptor: (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor
Authors:Becker, C, Engel, J, Rauh, D.
Deposit date:2016-04-11
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5D10
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BU of 5d10 by Molmil
Kinase domain of cSrc in complex with RL236
Descriptor: N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Becker, C, Mayer-Wrangowski, S.C, Julian, E, Rauh, D.
Deposit date:2015-08-03
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
6WKR
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BU of 6wkr by Molmil
PRC2-AEBP2-JARID2 bound to H2AK119ub1 nucleosome
Descriptor: DNA (314-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Kasinath, V, Nogales, E, Beck, C, Sauer, P, Poepsel, S, Kosmatka, J, Faini, M, Toso, D, Aebersold, R.
Deposit date:2020-04-16
Release date:2021-02-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:JARID2 and AEBP2 regulate PRC2 in the presence of H2AK119ub1 and other histone modifications.
Science, 371, 2021
6GN1
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BU of 6gn1 by Molmil
Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75
Descriptor: CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide
Authors:Tesch, R, Becker, C, Mueller, M.P, Sant'Anna, C.M.R, Fraga, C.A.M, Rauh, D.
Deposit date:2018-05-29
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An Unusual Intramolecular Halogen Bond Guides Conformational Selection.
Angew. Chem. Int. Ed. Engl., 57, 2018
4RVQ
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BU of 4rvq by Molmil
PWI-like domain of Chaetomium thermophilum Brr2
Descriptor: 1,2-ETHANEDIOL, Pre-mRNA splicing helicase-like protein, SULFATE ION
Authors:Absmeier, E, Rosenberger, L, Santos, K.F, Becke, C, Wahl, M.C.
Deposit date:2014-11-27
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.135 Å)
Cite:A noncanonical PWI domain in the N-terminal helicase-associated region of the spliceosomal Brr2 protein.
Acta Crystallogr.,Sect.D, 71, 2015
5M52
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BU of 5m52 by Molmil
Crystal structure of yeast Brr2 full-lenght in complex with Prp8 Jab1 domain
Descriptor: Pre-mRNA-splicing factor 8, Pre-mRNA-splicing helicase BRR2
Authors:Wollenhaupt, J, Absmeier, E, Becke, C, Santos, K.F, Wahl, M.C.
Deposit date:2016-10-20
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Interplay of cis- and trans-regulatory mechanisms in the spliceosomal RNA helicase Brr2.
Cell Cycle, 16, 2017
5M59
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BU of 5m59 by Molmil
Crystal structure of Chaetomium thermophilum Brr2 helicase core in complex with Prp8 Jab1 domain
Descriptor: ACETATE ION, Pre-mRNA splicing helicase-like protein, Putative pre-mRNA splicing factor
Authors:Absmeier, E, Becke, C, Wollenhaupt, J, Santos, K.F, Wahl, M.C.
Deposit date:2016-10-20
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Interplay of cis- and trans-regulatory mechanisms in the spliceosomal RNA helicase Brr2.
Cell Cycle, 16, 2017
4RVT
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BU of 4rvt by Molmil
MAP4K4 in complex with a pyridin-2(1H)-one derivative
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Richters, A, Becker, C, Kleine, S, Rauh, D.
Deposit date:2014-11-27
Release date:2015-05-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
1C95
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BU of 1c95 by Molmil
Solution structure of the aminoacyl-capped oligodeoxyribonucleotide duplex TRP-D(TGCGCAC)2
Descriptor: 5'-D((5AT)TP*GP*CP*GP*CP*AP*C)-3', TRYPTOPHAN
Authors:Ho, W.C, Steinbeck, C, Richert, C.
Deposit date:1999-07-31
Release date:1999-10-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the aminoacyl-capped oligodeoxyribonucleotide duplex (W-TGCGCAC)(2).
Biochemistry, 38, 1999
4C0Z
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BU of 4c0z by Molmil
The N-terminal domain of the Streptococcus pyogenes pilus tip adhesin Cpa
Descriptor: ANCILLARY PROTEIN 2, CHLORIDE ION, GLYCEROL, ...
Authors:Linke-Winnebeck, C, Paterson, N, Baker, E.N.
Deposit date:2013-08-08
Release date:2013-11-20
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Model for the Covalent Adhesion of the Streptococcus Pyogenes Pilus Through a Thioester Bond.
J.Biol.Chem., 289, 2014
8P20
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BU of 8p20 by Molmil
TarM(Se)_G117R-UDP-4RboP-glucose
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
Authors:Guo, Y, Stehle, T.
Deposit date:2023-05-14
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.848 Å)
Cite:Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
8P1X
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BU of 8p1x by Molmil
TarM(Se)_G117R-UDP-glucose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Guo, Y, Stehle, T.
Deposit date:2023-05-13
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
7QD7
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BU of 7qd7 by Molmil
TarM(Se)_G117R
Descriptor: CHLORIDE ION, GLYCEROL, PENTAETHYLENE GLYCOL, ...
Authors:Guo, Y, Stehle, T.
Deposit date:2021-11-26
Release date:2023-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
7QH9
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BU of 7qh9 by Molmil
TarM(Se)_G117R-4RboP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, TarM(Se)_G117R-4RboP, ...
Authors:Guo, Y, Stehle, T.
Deposit date:2021-12-10
Release date:2023-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.689 Å)
Cite:Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
7QNT
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BU of 7qnt by Molmil
TarM(Se) native
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Guo, Y, Stehle, T.
Deposit date:2021-12-22
Release date:2023-05-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Invasive Staphylococcus epidermidis uses a unique processive wall teichoic acid glycosyltransferase to evade immune recognition.
Sci Adv, 9, 2023
6VBP
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BU of 6vbp by Molmil
Crystal structure of anti-HIV-1 antibody DH815 bound to gp120 V2 peptide
Descriptor: CHLORIDE ION, DH815 heavy chain, DH815 light chain, ...
Authors:Janus, B.M, Ofek, G.
Deposit date:2019-12-19
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
6VBQ
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BU of 6vbq by Molmil
Crystal structure of anti-HIV-1 antibody DH822 bound to gp120 V2 peptide
Descriptor: DH822 heavy chain, DH822 light chain, Envelope glycoprotein gp160
Authors:Janus, B.M, Ofek, G.
Deposit date:2019-12-19
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.116 Å)
Cite:HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
6VBO
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BU of 6vbo by Molmil
Crystal structure of anti-HIV-1 antibody DH813 bound to gp120 V2 peptide
Descriptor: DH813 heavy chain, DH813 light chain, Envelope glycoprotein gp160
Authors:Janus, B.M, Ofek, G.
Deposit date:2019-12-19
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:HIV vaccine delayed boosting increases Env variable region 2-specific antibody effector functions.
JCI Insight, 5, 2020
5DCA
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BU of 5dca by Molmil
Crystal structure of yeast full length Brr2 in complex with Prp8 Jab1 domain
Descriptor: Pre-mRNA-splicing factor 8, Pre-mRNA-splicing helicase BRR2
Authors:Absmeier, E, Wollenhaupt, J, Santos, K.F, Wahl, M.C.
Deposit date:2015-08-23
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The large N-terminal region of the Brr2 RNA helicase guides productive spliceosome activation.
Genes Dev., 29, 2015
4TOT
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BU of 4tot by Molmil
Crystal structure of rat cyclophilin D in complex with a potent nonimmunosuppressive inhibitor
Descriptor: HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ...
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2014-06-06
Release date:2014-11-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition.
J.Med.Chem., 57, 2014
6SL1
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BU of 6sl1 by Molmil
Structure of the open conformation of CtTel1
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1
Authors:Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P.
Deposit date:2019-08-16
Release date:2019-10-30
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020

 

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數據於2024-07-24公開中

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