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1Y2Y
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BU of 1y2y by Molmil
Structural Characterization of Nop10p using Nuclear Magnetic Resonance Spectroscopy
Descriptor: Ribosome biogenesis protein Nop10
Authors:Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M, Feigon, J.
Deposit date:2004-11-23
Release date:2005-12-06
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA
RNA, 12, 2006
3SZB
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BU of 3szb by Molmil
Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
Descriptor: 1-phenylpropan-1-one, ACETATE ION, Aldehyde dehydrogenase, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3SZA
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BU of 3sza by Molmil
Crystal structure of human ALDH3A1 - apo form
Descriptor: ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
2EUY
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BU of 2euy by Molmil
Solution structure of the internal loop of human U65 H/ACA snoRNA 3' hairpin
Descriptor: U65 box H/ACA snoRNA
Authors:Feigon, J, Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M.
Deposit date:2005-10-30
Release date:2006-01-03
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA.
Rna, 12, 2006
5UQC
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BU of 5uqc by Molmil
Crystal structure of mouse CRMP2
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Dihydropyrimidinase-related protein 2
Authors:Khanna, M, Khanna, R, Perez-Miller, S, Francois-Moutal, L.
Deposit date:2017-02-07
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A single structurally conserved SUMOylation site in CRMP2 controls NaV1.7 function.
Channels (Austin), 11, 2017
5VKG
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BU of 5vkg by Molmil
Solution-state NMR structural ensemble of human Tsg101 UEV in complex with tenatoprazole
Descriptor: 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium, Tumor susceptibility gene 101 protein
Authors:Strickland, M, Ehrlich, L.S, Watanabe, S, Khan, M, Strub, M.-P, Luan, C.H, Powell, M.D, Leis, J, Tjandra, N, Carter, C.
Deposit date:2017-04-21
Release date:2017-11-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Tsg101 chaperone function revealed by HIV-1 assembly inhibitors.
Nat Commun, 8, 2017
6MFX
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BU of 6mfx by Molmil
Crystal structure of a 4-domain construct of a mutant of LgrA in the substrate donation state
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Reimer, J.M, Eivaskhani, M, Schmeing, T.M.
Deposit date:2018-09-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
6MFZ
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BU of 6mfz by Molmil
Crystal structure of dimodular LgrA in a condensation state
Descriptor: 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A
Authors:Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M.
Deposit date:2018-09-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
6MG0
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BU of 6mg0 by Molmil
Crystal structure of a 5-domain construct of LgrA in the thiolation state
Descriptor: 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, Linear gramicidin synthase subunit A
Authors:Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M.
Deposit date:2018-09-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
6MFW
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BU of 6mfw by Molmil
Crystal structure of a 4-domain construct of LgrA in the substrate donation state
Descriptor: (2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, ...
Authors:Reimer, J.M, Eivaskhani, M, Schmeing, T.M.
Deposit date:2018-09-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
6MFY
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BU of 6mfy by Molmil
Crystal structure of a 5-domain construct of LgrA in the substrate donation state
Descriptor: 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A, PHOSPHATE ION
Authors:Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M.
Deposit date:2018-09-12
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
2IY5
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BU of 2iy5 by Molmil
PHENYLALANYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS complexed with tRNA and a phenylalanyl-adenylate analog
Descriptor: ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE], MAGNESIUM ION, PHENYLALANYL-TRNA SYNTHETASE ALPHA CHAIN, ...
Authors:Moor, N, Kotik-Kogan, O, Tworowski, D, Sukhanova, M, Safro, M.
Deposit date:2006-07-12
Release date:2006-09-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The crystal structure of the ternary complex of phenylalanyl-tRNA synthetase with tRNAPhe and a phenylalanyl-adenylate analogue reveals a conformational switch of the CCA end.
Biochemistry, 45, 2006
3TUP
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BU of 3tup by Molmil
Crystal structure of human mitochondrial PheRS complexed with tRNAPhe in the active open state
Descriptor: Phenylalanyl-tRNA synthetase, mitochondrial, Thermus thermophilus tRNAPhe
Authors:Safro, M, Klipcan, L, Moor, N, Finarov, I, Kessler, N, Sukhanova, M.
Deposit date:2011-09-17
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal Structure of Human Mitochondrial PheRS Complexed with tRNA(Phe) in the Active "Open" State.
J.Mol.Biol., 415, 2012
3SZ9
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BU of 3sz9 by Molmil
Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one
Descriptor: 1,2-ETHANEDIOL, 1-(4-ethylphenyl)propan-1-one, Aldehyde dehydrogenase, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
6HHO
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BU of 6hho by Molmil
Crystal structure of RIP1 kinase in complex with GSK547
Descriptor: 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
Authors:Thorpe, J.H, Harris, P.A.
Deposit date:2018-08-28
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell, 34, 2018
5I3D
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BU of 5i3d by Molmil
Sulfolobus solfataricus beta-glycosidase - E387Y mutant
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-galactosidase
Authors:Iglesias-Fernandez, J, Hancock, S.M, Lee, S.S, McAuley, K.E, Fordham-Skelton, A, Rovira, C, Davis, B.D.
Deposit date:2016-02-10
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase.
Nat. Chem. Biol., 13, 2017
6ISS
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BU of 6iss by Molmil
Lignin peroxidase H8 triple mutant S49C/A67C/H239
Descriptor: CALCIUM ION, Ligninase H8, PROTOPORPHYRIN IX CONTAINING FE
Authors:Seo, H, Son, H, Kim, K.-J.
Deposit date:2018-11-19
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Extra disulfide and ionic salt bridge improves the thermostability of lignin peroxidase H8 under acidic condition
Enzyme.Microb.Technol., 148, 2021
2MY8
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BU of 2my8 by Molmil
NMR Structure of RRM-3 domain of ETR-3
Descriptor: CUGBP Elav-like family member 2
Authors:Kashyap, M, Bhatt, H.P, Ganguly, A.K, Bhavesh, N.S.
Deposit date:2015-01-21
Release date:2015-02-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of an Unfolding Intermediate of an RRM Domain of ETR-3 Reveals Its Native-like Fold.
Biophys.J., 118, 2020
2MY7
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BU of 2my7 by Molmil
NMR Structure of unfolding intermediate state of RRM-3 domain of ETR-3
Descriptor: CUGBP Elav-like family member 2
Authors:Bhatt, H.P, Ganguly, A.K, Bhavesh, N.S.
Deposit date:2015-01-21
Release date:2015-02-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of an Unfolding Intermediate of an RRM Domain of ETR-3 Reveals Its Native-like Fold.
Biophys.J., 118, 2020
7KJT
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BU of 7kjt by Molmil
KEOPS tRNA modifying sub-complex of archaeal Cgi121 and tRNA
Descriptor: RNA (70-MER), Regulatory protein Cgi121
Authors:Ceccarelli, D.F, Beenstock, J, Mao, D.Y.L, Sicheri, F.
Deposit date:2020-10-26
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:A substrate binding model for the KEOPS tRNA modifying complex.
Nat Commun, 11, 2020
7KJU
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BU of 7kju by Molmil
Cgi121-tRNA complex
Descriptor: MAGNESIUM ION, RNA (75-MER)
Authors:Ceccarelli, D.F, Beenstock, J, Wan, L.C.K, Sicheri, F.
Deposit date:2020-10-26
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:A substrate binding model for the KEOPS tRNA modifying complex.
Nat Commun, 11, 2020
6U63
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BU of 6u63 by Molmil
Mcl-1 bound to compound 17
Descriptor: 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Stuckey, J.A.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U6F
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BU of 6u6f by Molmil
The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21
Descriptor: 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U65
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BU of 6u65 by Molmil
Mcl-1 bound to compound 19
Descriptor: 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ...
Authors:Stuckey, J.A.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6U64
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BU of 6u64 by Molmil
Mcl-1 bound to compound 17
Descriptor: 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Stuckey, J.A.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020

 

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