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7UYB
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BU of 7uyb by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYC
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BU of 7uyc by Molmil
Inhibitor bound VIM1
Descriptor: (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYA
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BU of 7uya by Molmil
Inhibitor bound VIM1
Descriptor: (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7UYD
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BU of 7uyd by Molmil
Inhibitor bound VIM1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Fischmann, T.O, Scapin, G.
Deposit date:2022-05-06
Release date:2023-05-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
7E7Y
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BU of 7e7y by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
Descriptor: BD-623 Fab H, BD-623 Fab L, Spike protein S1
Authors:Wei, Y, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E7X
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BU of 7e7x by Molmil
SARS-CoV-2 Spike Protein N terminal domain in Complex with N11 Fab
Descriptor: N11 Fab Light chain, N11 Fab heavy chain, Spike protein S1
Authors:Zhang, Z, Shuo, D, Xiao, J.
Deposit date:2021-02-28
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E88
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BU of 7e88 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
Descriptor: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
Authors:Gao, C, Wei, Y, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E8F
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BU of 7e8f by Molmil
SARS-CoV-2 NTD in complex with N9 Fab
Descriptor: 368-2 H, 368-2 L, 604 H, ...
Authors:Du, S, Xiao, J, Zhang, Z.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E8C
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BU of 7e8c by Molmil
SARS-CoV-2 S-6P in complex with 9 Fabs
Descriptor: 368-2 H, 368-2 L, 604 H, ...
Authors:Du, S, Xiao, J, Zhang, Z.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E86
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BU of 7e86 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
Descriptor: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
Authors:Gao, C, Xiao, J.
Deposit date:2021-03-01
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
4JWH
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BU of 4jwh by Molmil
Crystal structure of spTrm10(Full length)-SAH complex
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine(9)-N1)-methyltransferase
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
4JWJ
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BU of 4jwj by Molmil
Crystal structure of scTrm10(84)-SAH complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
4JWG
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BU of 4jwg by Molmil
Crystal structure of spTrm10(74)
Descriptor: ACETIC ACID, tRNA (guanine(9)-N1)-methyltransferase
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
5VND
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BU of 5vnd by Molmil
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527
Descriptor: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ...
Authors:Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A.
Deposit date:2017-04-30
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma.
Cancer Res., 77, 2017
8EYU
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BU of 8eyu by Molmil
Structure of Beetroot dimer bound to DFAME
Descriptor: POTASSIUM ION, RNA (49-MER), methyl (2E)-3-{(4Z)-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}prop-2-enoate
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-10-28
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8F0N
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BU of 8f0n by Molmil
Wobble Beetroot (A16U-U38G) dimer bound to DFHO
Descriptor: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, POTASSIUM ION, RNA (49-MER)
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-11-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8EYW
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BU of 8eyw by Molmil
Beetroot dimer bound to ThT
Descriptor: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, POTASSIUM ION, RNA (49-MER)
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-10-28
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8EYV
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BU of 8eyv by Molmil
Structure of Beetroot dimer bound to DFHO
Descriptor: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, POTASSIUM ION, RNA (45-MER)
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-10-28
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Co-crystal structures of the fluorogenic aptamer Beetroot show that close homology may not predict similar RNA architecture.
Nat Commun, 14, 2023
8FTR
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BU of 8ftr by Molmil
SgvM methyltransferase with MTA and alpha-ketoleucine
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methyltransferase, ...
Authors:Kuzelka, K, Nair, S.K.
Deposit date:2023-01-13
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases.
Nat Commun, 14, 2023
5WWX
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BU of 5wwx by Molmil
Crystal structure of the KH2 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C complex with RNA
Descriptor: NICKEL (II) ION, RNA (5'-R(P*AP*GP*AP*GP*U)-3'), RNA-binding E3 ubiquitin-protein ligase MEX3C
Authors:Yang, L, Wang, C, Li, F, Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
8FTS
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BU of 8fts by Molmil
SgvM methyltransferase with SAH and alpha-ketoleucine
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Kuzelka, K, Nair, S.K.
Deposit date:2023-01-13
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases
Nat Commun, 14, 2023
8FTV
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BU of 8ftv by Molmil
SgvM methyltransferase triple variant (M144V/F329V/T331A) with SAH and 2-oxo-4-phenylbutanoic acid
Descriptor: 2-oxo-4-phenylbutanoic acid, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Kuzelka, K, Nair, S.K.
Deposit date:2023-01-13
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases
Nat Commun, 14, 2023
5WWW
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BU of 5www by Molmil
Crystal structure of the KH1 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C complex with RNA
Descriptor: RNA (5'-R(*GP*UP*UP*UP*AP*G)-3'), RNA-binding E3 ubiquitin-protein ligase MEX3C
Authors:Yang, L, Wang, C, Li, F, Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
5WWZ
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BU of 5wwz by Molmil
Crystal structure of the KH2 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C
Descriptor: RNA-binding E3 ubiquitin-protein ligase MEX3C, SULFATE ION
Authors:Yang, L, Wang, C, Li, F, Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
Deposit date:2020-07-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021

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