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PDB: 61 results

8OO0
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Chaetomium thermophilum Methionine Aminopeptidase 2 autoproteolysis product at the 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S0, ...
Authors:Klein, M.A, Wild, K, Kisonaite, M, Sinning, I.
Deposit date:2023-04-04
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Methionine aminopeptidase 2 and its autoproteolysis product have different binding sites on the ribosome.
Nat Commun, 15, 2024
8ONY
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Human Methionine Aminopeptidase 2 at the 80S ribosome
Descriptor: 28S rRNA, 5.8S rRNA, 60S ribosomal protein L19, ...
Authors:Klein, M.A, Wild, K, Kisonaite, M, Sinning, I.
Deposit date:2023-04-04
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Methionine aminopeptidase 2 and its autoproteolysis product have different binding sites on the ribosome.
Nat Commun, 15, 2024
8ONZ
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Chaetomium thermophilum Methionine Aminopeptidase 2 at the 80S ribosome
Descriptor: 28S rRNA, 5.8S rRNA, 60S ribosomal protein L25-like protein, ...
Authors:Klein, M.A, Wild, K, Kisonaite, M, Sinning, I.
Deposit date:2023-04-04
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Methionine aminopeptidase 2 and its autoproteolysis product have different binding sites on the ribosome.
Nat Commun, 15, 2024
8ONX
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High resolution structure of Chaetomium thermophilum MAP2
Descriptor: MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Klein, M.A, Wild, K, Kisonaite, M, Sinning, I.
Deposit date:2023-04-04
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Methionine aminopeptidase 2 and its autoproteolysis product have different binding sites on the ribosome.
Nat Commun, 15, 2024
6P4V
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1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-05-28
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6PGR
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Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
Descriptor: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2019-06-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
5INH
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Crystal structure of Autotaxin/ENPP2 with a covalent fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Klein, M.G, Tjhen, R.
Deposit date:2016-03-07
Release date:2017-03-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
J. Med. Chem., 60, 2017
6CKX
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Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ...
Authors:Klein, M.G.
Deposit date:2018-03-01
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
J. Med. Chem., 61, 2018
1RT8
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CRYSTAL STRUCTURE OF THE ACTIN-CROSSLINKING CORE OF SCHIZOSACCHAROMYCES POMBE FIMBRIN
Descriptor: SULFATE ION, fimbrin
Authors:Klein, M.G, Shi, W, Ramagopal, U, Tseng, Y, Wirtz, D, Kovar, D.R, Staiger, C.J, Almo, S.C.
Deposit date:2003-12-10
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
6WL6
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Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
Descriptor: 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2020-04-18
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
6WKZ
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Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
Descriptor: 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
Authors:Klein, M.G, Ambrus-Aikelin, G.
Deposit date:2020-04-17
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
1PXY
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BU of 1pxy by Molmil
Crystal structure of the actin-crosslinking core of Arabidopsis fimbrin
Descriptor: fimbrin-like protein
Authors:Klein, M.G, Shi, W, Tseng, Y, Wirtz, D, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-07-07
Release date:2004-06-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
5F9E
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Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one
Descriptor: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type
Authors:Klein, M.
Deposit date:2015-12-09
Release date:2016-05-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors.
Bioorg.Med.Chem., 24, 2016
5URM
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BU of 5urm by Molmil
Crystal structure of human BRR2 in complex with T-1206548
Descriptor: 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Klein, M.G, Tjhen, R, Qin, L.
Deposit date:2017-02-11
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5URJ
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BU of 5urj by Molmil
Crystal structure of human BRR2 in complex with T-3905516
Descriptor: 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Klein, M.G, Tjhen, R, Qin, L.
Deposit date:2017-02-10
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5UNP
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BU of 5unp by Molmil
Structure of CDC2-Like Kinase 2 (CLK2) in Complex with Compound T-025 [N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine]
Descriptor: Dual specificity protein kinase CLK2, N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Authors:Klein, M.G, Tjhen, R.
Deposit date:2017-01-31
Release date:2018-05-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:A novel CLK inhibitor exhibits anti-tumor efficacies via modulating pre-mRNA splicing and targeting a MYC-dependent vulnerability
Embo Mol Med, 2018
4P1Q
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BU of 4p1q by Molmil
GREEN FLUORESCENT PROTEIN E222H VARIANT
Descriptor: Green fluorescent protein, SODIUM ION
Authors:Klein, M, Carius, Y, Auerbach, D, Franz, S, Jung, G, Lancaster, C.R.D.
Deposit date:2014-02-27
Release date:2014-07-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Replacement of Highly Conserved E222 by the Photostable Non-photoconvertible Histidine in GFP.
Chembiochem, 15, 2014
3C64
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BU of 3c64 by Molmil
The MC179 portion of the Cysteine-rich Interdomain Region (CIDR) of a Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1)
Descriptor: CHLORIDE ION, PfEMP1 variant 2 of strain MC, TETRAETHYLENE GLYCOL
Authors:Klein, M.M, Gittis, A.G, Su, H.P, Makobongo, M.O, Moore, J.M, Singh, S, Miller, L.H, Garboczi, D.N.
Deposit date:2008-02-02
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Cysteine-Rich Interdomain Region from the Highly Variable Plasmodium falciparum Erythrocyte Membrane Protein-1 Exhibits a Conserved Structure.
Plos Pathog., 4, 2008
3F56
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The structure of a previously undetected carboxysome shell protein: CsoS1D from Prochlorococcus marinus MED4
Descriptor: CsoS1D
Authors:Klein, M.G, Zwart, P, Kerfeld, C.A.
Deposit date:2008-11-03
Release date:2009-06-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Identification and structural analysis of a novel carboxysome shell protein with implications for metabolite transport.
J.Mol.Biol., 392, 2009
1AV5
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BU of 1av5 by Molmil
PKCI-SUBSTRATE ANALOG
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PROTEIN KINASE C INTERACTING PROTEIN
Authors:Lima, C.D, Klein, M.G, Hendrickson, W.A.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
7B12
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BU of 7b12 by Molmil
HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid
Descriptor: ((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Musil, D, Klein, M, Crosignani, S.
Deposit date:2020-11-23
Release date:2021-12-01
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i).
J.Med.Chem., 64, 2021
6N3O
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Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
Descriptor: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2
Authors:Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
Deposit date:2018-11-15
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
7AWE
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BU of 7awe by Molmil
HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [(1R)-2-(1-benzofuran-3-yl)-1-{[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]formamido}ethyl]boronic acid
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Musil, D, Klein, M.
Deposit date:2020-11-06
Release date:2021-06-09
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:M3258 Is a Selective Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i) Delivering Efficacy in Multiple Myeloma Models.
Mol.Cancer Ther., 20, 2021
5IZ5
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BU of 5iz5 by Molmil
Human GIVD cytosolic phospholipase A2
Descriptor: Cytosolic phospholipase A2 delta, SULFATE ION
Authors:Wang, H, Klein, M.G.
Deposit date:2016-03-24
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition.
J.Mol.Biol., 428, 2016
3MG3
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BU of 3mg3 by Molmil
Crystal structure of the orange carotenoid protein R155L mutant from cyanobacteria synechocystis sp. PCC 6803
Descriptor: GLYCEROL, Orange carotenoid-binding protein, beta,beta-caroten-4-one
Authors:Wilson, A, Kinney, J, Zwart, P.H, Punginelli, C, D'Haen, S, Perreau, F, Klein, M.G, Kirilovsky, D, Kerfeld, C.A.
Deposit date:2010-04-05
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural determinants underlying photoprotection in the photoactive orange carotenoid protein of cyanobacteria.
J.Biol.Chem., 285, 2010

 

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