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7WEE
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BU of 7wee by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv265
Descriptor: Spike glycoprotein, The heavy chain of Fab XGv265, The light chain of Fab XGv265
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
8IQ0
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BU of 8iq0 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
Authors:Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
Deposit date:2023-03-15
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
4MC7
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BU of 4mc7 by Molmil
Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE
Authors:Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J.
Deposit date:2013-08-21
Release date:2013-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
4ER5
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BU of 4er5 by Molmil
Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
Descriptor: 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4N9G
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BU of 4n9g by Molmil
Crystal Structure of a Computationally Designed RSV-Presenting Epitope Scaffold And Its Elicited Antibody 17HD9
Descriptor: Antibody 17HD9, Heavy Chain, Light Chain, ...
Authors:Carrico, C.T.D, Strong, R.K.
Deposit date:2013-10-21
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Proof of principle for epitope-focused vaccine design.
Nature, 507, 2014
3EFH
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BU of 3efh by Molmil
Crystal structure of human phosphoribosyl pyrophosphate synthetase 1
Descriptor: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
Authors:Li, X, Peng, X, Li, Y.
Deposit date:2008-09-08
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human phosphoribosyl pyrophosphate synthetase 1
To be Published
4K3Y
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BU of 4k3y by Molmil
Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-04-11
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
2B5X
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BU of 2b5x by Molmil
Solution Structure of a Thioredoxin-like Protein in the Reduced Form
Descriptor: YkuV protein
Authors:Zhang, X, Xia, B, Jin, C.
Deposit date:2005-09-29
Release date:2006-01-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The bacillus subtilis YKUV is a thiol-disulfide oxidoreductase revealed by its redox structures and activity
J.Biol.Chem., 281, 2006
4ER3
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BU of 4er3 by Molmil
Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777
Descriptor: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
2B5Y
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BU of 2b5y by Molmil
Solution Structure of a Thioredoxin-like Protein in the Oxidized Form
Descriptor: YkuV protein
Authors:Zhang, X, Xia, B, Jin, C.
Deposit date:2005-09-29
Release date:2006-01-17
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:The bacillus subtilis YKUV is a thiol-disulfide oxidoreductase revealed by its redox structures and activity
J.Biol.Chem., 281, 2006
4ER6
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BU of 4er6 by Molmil
Crystal structure of human DOT1L in complex with inhibitor SGC0946
Descriptor: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4NK4
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BU of 4nk4 by Molmil
Crystal structure of FabI from Candidatus Liberibacter asiaticus
Descriptor: DI(HYDROXYETHYL)ETHER, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Jiang, L, Gao, Z.Q, Dong, Y.H.
Deposit date:2013-11-12
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures and kinetic properties of enoyl-acyl carrier protein reductase I from Candidatus Liberibacter asiaticus.
Protein Sci., 23, 2014
4EQZ
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BU of 4eqz by Molmil
Crystal structure of human DOT1L in complex with inhibitor FED2
Descriptor: 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4NK5
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BU of 4nk5 by Molmil
Crystal structure of FabI-NAD complex from Candidatus Liberibacter asiaticus
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jiang, L, Gao, Z.Q, Dong, Y.H.
Deposit date:2013-11-12
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures and kinetic properties of enoyl-acyl carrier protein reductase I from Candidatus Liberibacter asiaticus.
Protein Sci., 23, 2014
4ER0
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BU of 4er0 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor FED1
Descriptor: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER7
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BU of 4er7 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor SGC0947
Descriptor: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
2F3I
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BU of 2f3i by Molmil
Solution Structure of a Subunit of RNA Polymerase II
Descriptor: DNA-directed RNA polymerases I, II, and III 17.1 kDa polypeptide
Authors:Kang, X, Jin, C.
Deposit date:2005-11-21
Release date:2006-05-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural, biochemical, and dynamic characterizations of the hRPB8 subunit of human RNA polymerases
J.Biol.Chem., 281, 2006
3HK9
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BU of 3hk9 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Glucuronate
Descriptor: CARBONATE ION, CHLORIDE ION, D-glucuronic acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
3HK7
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BU of 3hk7 by Molmil
Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate, monoclinic crystal form
Descriptor: CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ...
Authors:Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C.
Deposit date:2009-05-22
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
3UWP
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BU of 3uwp by Molmil
Crystal structure of Dot1l in complex with 5-iodotubercidin
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2011-12-02
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
6IV5
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BU of 6iv5 by Molmil
Crystal structure of arabidopsis N6-mAMP deaminase MAPDA
Descriptor: Adenosine/AMP deaminase family protein, PHOSPHATE ION, ZINC ION
Authors:Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J.
Deposit date:2018-12-02
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing.
Rna Biol., 16, 2019
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2021-08-18
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
6LQI
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BU of 6lqi by Molmil
Cryo-EM structure of the mouse Piezo1 isoform Piezo1.1
Descriptor: Piezo-type mechanosensitive ion channel component 1
Authors:Geng, J, Liu, W, Zhou, H, Zhang, T, Wang, L, Zhang, M, Shen, B, Li, X, Xiao, B.
Deposit date:2020-01-13
Release date:2020-03-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:A Plug-and-Latch Mechanism for Gating the Mechanosensitive Piezo Channel.
Neuron, 106, 2020
8HE4
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BU of 8he4 by Molmil
The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici
Descriptor: Chitin deacetylase, ZINC ION, ~{N}-oxidanylnaphthalene-1-carboxamide
Authors:Liu, L, Li, Y.C, Zhou, Y, Yang, Q.
Deposit date:2022-11-07
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Inhibition of chitin deacetylases to attenuate plant fungal diseases.
Nat Commun, 14, 2023

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