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3F4C
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BU of 3f4c by Molmil
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10, with glycerol bound
Descriptor: COBALT (II) ION, GLYCEROL, Organophosphorus hydrolase
Authors:Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A.
Deposit date:2008-10-31
Release date:2009-09-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
3F4D
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BU of 3f4d by Molmil
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10
Descriptor: COBALT (II) ION, Organophosphorus hydrolase
Authors:Hawwa, R, Aikens, J, Turner, R.J, Santarsiero, B, Mesecar, A.
Deposit date:2008-10-31
Release date:2009-08-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
Arch.Biochem.Biophys., 488, 2009
5TL7
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BU of 5tl7 by Molmil
Crystal structure of SARS-CoV papain-like protease in complex with C-terminal domain mouse ISG15
Descriptor: Replicase polyprotein 1ab, Ubiquitin-like protein ISG15, ZINC ION
Authors:Daczkowski, C.D, Dzimianski, J.V, Pegan, S.D.
Deposit date:2016-10-10
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
J. Mol. Biol., 429, 2017
2QIQ
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BU of 2qiq by Molmil
Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors
Descriptor: ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE, Replicase polyprotein 1ab
Authors:Grum-Tokars, V.
Deposit date:2007-07-05
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
7M1Z
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BU of 7m1z by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: (R)-MEVALONATE, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ACETATE ION, ...
Authors:Bose, S, Steussy, C.N, Stauffacher, C.V.
Deposit date:2021-03-15
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor
Nat Commun, 2023
7M66
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BU of 7m66 by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Bose, S, Steussy, C.N.
Deposit date:2021-03-25
Release date:2022-09-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor.
Commun Biol, 6, 2023
7JYY
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BU of 7jyy by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM).
Descriptor: 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-01
Release date:2020-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
7L6R
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BU of 7l6r by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn).
Descriptor: 2'-O-methyltransferase, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-23
Release date:2021-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
7L6T
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BU of 7l6t by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and two Magnesium (Mg) ions.
Descriptor: 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-23
Release date:2021-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
7JKV
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BU of 7jkv by Molmil
Crystal Structure of SARS-CoV-2 main protease in complex with an inhibitor GRL-2420
Descriptor: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, PENTAETHYLENE GLYCOL
Authors:Bulut, H, Hattori, S.I, Das, D, Murayama, K, Mitsuya, H.
Deposit date:2020-07-29
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 12, 2021
6NMA
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BU of 6nma by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NM9
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BU of 6nm9 by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4 dimer
Descriptor: AcrVA4, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NME
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BU of 6nme by Molmil
Structure of LbCas12a-crRNA
Descriptor: Cpf1, MAGNESIUM ION, crRNA
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (5.67 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NMC
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BU of 6nmc by Molmil
CryoEM structure of the LbCas12a-crRNA-2xAcrVA1 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NMD
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BU of 6nmd by Molmil
cryo-EM Structure of the LbCas12a-crRNA-AcrVA1 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
3OVM
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BU of 3ovm by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ...
Authors:Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A.
Deposit date:2010-09-16
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
4QOF
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BU of 4qof by Molmil
Crystal structure of fmn quinone reductase 2 AT 1.55A
Descriptor: FLAVIN MONONUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION
Authors:Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
Deposit date:2014-06-20
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of FMN quinone reductase 2 at 1.55A
To be Published
3NHL
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BU of 3nhl by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 7,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3NHY
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BU of 3nhy by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 8-methoxy-4-methylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3NHJ
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BU of 3nhj by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 6,9-dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3NHU
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BU of 3nhu by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 6-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3O2N
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BU of 3o2n by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 5,8-dimethoxy-4-methylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-07-22
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3NHK
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BU of 3nhk by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 6,7,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3NHF
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BU of 3nhf by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 5,6,8-trimethoxy-4-methylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3NHR
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BU of 3nhr by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published

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