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6YWL
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BU of 6ywl by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, ...
Authors:Schroeder, M, Ni, X, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
9ERY
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BU of 9ery by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
Descriptor: 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION
Authors:Plewka, J, Magiera-Mularz, K, Zhang, W.
Deposit date:2024-03-25
Release date:2024-07-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors.
Eur.J.Med.Chem., 276, 2024
6YWM
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BU of 6ywm by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
6R2H
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BU of 6r2h by Molmil
Crystal structure of Apo PinO from Porphyromonas gingivitis
Descriptor: GLYCEROL, HmuY protein
Authors:Antonyuk, S.V, Bielecki, M, Strange, R.W, Capper, M, Olczak, T, Olczak, M.
Deposit date:2019-03-17
Release date:2020-01-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Prevotella intermedia produces two proteins homologous to Porphyromonas gingivalis HmuY but with different heme coordination mode.
Biochem.J., 477, 2020
4LY9
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BU of 4ly9 by Molmil
Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate
Descriptor: (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R.
Deposit date:2013-07-30
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
6KUR
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BU of 6kur by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B1)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
6KUK
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BU of 6kuk by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in mode A conformation (class A1)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
6KUP
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BU of 6kup by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in Mode A conformation(Class A2)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
Descriptor: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro
Authors:Luqing, S, Yin, Z.
Deposit date:2015-05-28
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
5XEZ
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BU of 5xez by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
6KUV
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BU of 6kuv by Molmil
Structure of influenza D virus polymerase bound to cRNA promoter in class 2
Descriptor: 3'-cRNA, 5'-cRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
6KUT
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BU of 6kut by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B2)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
6KV5
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BU of 6kv5 by Molmil
Structure of influenza D virus apo polymerase
Descriptor: Polymerase 3, Polymerase PB2, RNA-directed RNA polymerase catalytic subunit
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-03
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural insight into RNA synthesis by influenza D polymerase.
Nat Microbiol, 4, 2019
6LEB
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BU of 6leb by Molmil
Staphylococcus aureus surface protein SdrC mutant-P366H
Descriptor: GLYCEROL, MAGNESIUM ION, Ser-Asp rich fibrinogen-binding, ...
Authors:Hang, T, Zhang, M, Wang, J.
Deposit date:2019-11-25
Release date:2020-11-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insights into the intermolecular interaction of the adhesin SdrC in the pathogenicity of Staphylococcus aureus.
Acta Crystallogr.,Sect.F, 77, 2021
5XKI
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BU of 5xki by Molmil
Crystal structure of baculoviral sulfhydryl oxidase AcP33 (wide type)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-05-07
Release date:2017-09-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
5XTO
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BU of 5xto by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (H114A mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
5XTR
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BU of 5xtr by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (R127A, E183A mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
5XTN
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BU of 5xtn by Molmil
Crystal structure of baculoviral sulfhydryl oxidase P33 (C155A, C158A mutant)
Descriptor: FAD-linked sulfhydryl oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2017-06-20
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Three Conserved Regions in Baculovirus Sulfhydryl Oxidase P33 Are Critical for Enzymatic Activity and Function
J. Virol., 91, 2017
6KUJ
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BU of 6kuj by Molmil
Structure of influenza D virus polymerase bound to cRNA promoter in class 1
Descriptor: 3'-cRNA promoter, 5'-cRNA promoter, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-10-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of influenza D virus polymerase bound to cRNA promoter in Mode A conformation
NAT NANOTECHNOL, 2019
6L2T
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BU of 6l2t by Molmil
African swine fever virus major capsid protein p72
Descriptor: B646L,Major capsid protein
Authors:Wang, N, Rao, Z, Wang, X.
Deposit date:2019-10-06
Release date:2020-03-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Architecture of African swine fever virus and implications for viral assembly.
Science, 366, 2019
8YZS
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BU of 8yzs by Molmil
Structure of the NACC1 BEN domain in complex with its target DNA
Descriptor: CATG-containing DNA, Nucleus accumbens-associated protein 1
Authors:Ren, J, Wang, Z.
Deposit date:2024-04-08
Release date:2024-09-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis of DNA recognition by BEN domain proteins reveals a role for oligomerization in unmethylated DNA selection by BANP.
Nucleic Acids Res., 52, 2024
8YZT
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BU of 8yzt by Molmil
Crystal structure of the BANP BEN domain in complex with its target DNA
Descriptor: CGCG-containing DNA, Protein BANP
Authors:Ren, J, Wang, Z.
Deposit date:2024-04-08
Release date:2024-09-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural basis of DNA recognition by BEN domain proteins reveals a role for oligomerization in unmethylated DNA selection by BANP.
Nucleic Acids Res., 52, 2024
7C2S
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BU of 7c2s by Molmil
Helical reconstruction of Dengue virus serotype 3 complexed with Fab C10
Descriptor: Heavy chain of Fab C10, envelope protein, light chain of Fab C10
Authors:Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M.
Deposit date:2020-05-09
Release date:2020-07-08
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (10.4 Å)
Cite:High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
7C2T
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BU of 7c2t by Molmil
Helical reconstruction of Zika virus complexed with Fab C10
Descriptor: Heavy chain from Fab C10, Light chain from Fab C10, M protein, ...
Authors:Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M.
Deposit date:2020-05-09
Release date:2020-07-08
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020

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