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9EYX
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BU of 9eyx by Molmil
Human PRMT5 in complex with AZ compound 28
分子名称: (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
著者Debreczeni, J.
登録日2024-04-09
公開日2024-08-14
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
9EYV
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BU of 9eyv by Molmil
Human PRMT5 in complex with AZ compound 12
分子名称: (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ...
著者Debreczeni, J.
登録日2024-04-09
公開日2024-08-14
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
5K9J
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BU of 5k9j by Molmil
Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 isolated following H5 immunization.
分子名称: 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34)
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-05-31
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5K9K
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BU of 5k9k by Molmil
Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 56.a.09 Heavy chain, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-05-31
公開日2016-12-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5K8Q
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BU of 5k8q by Molmil
Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide.
分子名称: CALCIUM ION, Calmodulin, IMIDAZOLE, ...
著者Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J.
登録日2016-05-30
公開日2016-08-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Structure of the STRA6 receptor for retinol uptake.
Science, 353, 2016
5KAN
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BU of 5kan by Molmil
Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.g.07 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin
分子名称: 16.g.07 Heavy chain, 16.g.07 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.785 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
5K9O
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BU of 5k9o by Molmil
Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009
分子名称: 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.387 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5K9Q
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BU of 5k9q by Molmil
Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin
分子名称: 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2016-11-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
5KH4
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BU of 5kh4 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) with FARNESYL DIPHOSPHATE
分子名称: FARNESYL DIPHOSPHATE, Isoprenyl transferase
著者Concha, N.O.
登録日2016-06-14
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH2
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BU of 5kh2 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS)
分子名称: Isoprenyl transferase
著者Concha, N.O.
登録日2016-06-14
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
7LPN
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BU of 7lpn by Molmil
Cryo-EM structure of llama J3 VHH antibody in complex with HIV-1 Env BG505 DS-SOSIP.664
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Gorman, J, Kwong, P.D.
登録日2021-02-12
公開日2022-02-23
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Structural basis for llama nanobody recognition and neutralization of HIV-1 at the CD4-binding site.
Structure, 30, 2022
5D92
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BU of 5d92 by Molmil
Structure of a phosphatidylinositolphosphate (PIP) synthase from Renibacterium Salmoninarum
分子名称: 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, AF2299 protein,Phosphatidylinositol synthase, MAGNESIUM ION, ...
著者Clarke, O.B, Tomasek, D.T, Jorge, C.D, Belcher Dufrisne, M, Kim, M, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Santos, H, Mancia, F.
登録日2015-08-18
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural basis for phosphatidylinositol-phosphate biosynthesis.
Nat Commun, 6, 2015
5D91
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BU of 5d91 by Molmil
Structure of a phosphatidylinositolphosphate (PIP) synthase from Renibacterium Salmoninarum
分子名称: AF2299 protein,Phosphatidylinositol synthase, MAGNESIUM ION, Octadecane, ...
著者Clarke, O.B, Tomasek, D.T, Jorge, C.D, Belcher Dufrisne, M, Kim, M, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Santos, H, Mancia, F.
登録日2015-08-18
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural basis for phosphatidylinositol-phosphate biosynthesis.
Nat Commun, 6, 2015
6URM
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BU of 6urm by Molmil
Crystal structure of vaccine-elicited receptor-binding site targeting antibody LPAF-a.01 in complex with Hemagglutinin H1 A/California/04/2009
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zhou, T, Cheung, S.F, Kwong, P.D.
登録日2019-10-23
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Identification and Structure of a Multidonor Class of Head-Directed Influenza-Neutralizing Antibodies Reveal the Mechanism for Its Recurrent Elicitation.
Cell Rep, 32, 2020
5KAQ
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BU of 5kaq by Molmil
Crystal structure of broadly neutralizing Influenza A antibody 31.a.83 in complex with Hemagglutinin Hong Kong 1968.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2017-02-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.514 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5KH5
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BU of 5kh5 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
分子名称: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
著者Concha, N.O.
登録日2016-06-14
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5F15
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BU of 5f15 by Molmil
Crystal Structure of ArnT from Cupriavidus metallidurans bound to Undecaprenyl phosphate
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose (L-Ara4N) transferase, CHLORIDE ION, ...
著者Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2015-11-30
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation.
Science, 351, 2016
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
分子名称: (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
著者Luqing, S, Yin, Z.
登録日2015-05-28
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
5EZM
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BU of 5ezm by Molmil
Crystal Structure of ArnT from Cupriavidus metallidurans in the apo state
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose transferase or related glycosyltransferases of PMT family, CHLORIDE ION, ...
著者Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2015-11-26
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation.
Science, 351, 2016
6FY0
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BU of 6fy0 by Molmil
Crystal structure of a V2-directed, RV144 vaccine-like antibody from HIV-1 infection, CAP228-16H, bound to a heterologous V2 peptide
分子名称: CAP228-16H Heavy Chain, CAP228-16H Light Chain, CAP45 V2 peptide, ...
著者Wibmer, C.K, Fernandes, M, Vijayakumar, B, Dirr, H.W, Sayed, Y, Moore, P.L, Morris, L.
登録日2018-03-10
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献V2-Directed Vaccine-like Antibodies from HIV-1 Infection Identify an Additional K169-Binding Light Chain Motif with Broad ADCC Activity.
Cell Rep, 25, 2018
1Y9X
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BU of 1y9x by Molmil
Solution structure of Archaeon DNA-binding protein ssh10b
分子名称: DNA/RNA-binding protein Alba 1
著者Cui, Q, Tong, Y, Wang, J.
登録日2004-12-16
公開日2005-06-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A stabilizing alpha/beta-hydrophobic core greatly contributes to hyperthermostability of archaeal [P62A]Ssh10b.
Biochemistry, 47, 2008
7YKJ
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BU of 7ykj by Molmil
Omicron RBDs bound with P3E6 Fab (one up and one down)
分子名称: P3E6 heavy chain, P3E6 light chain, Spike glycoprotein
著者Tang, B, Dang, S.
登録日2022-07-22
公開日2022-12-28
最終更新日2023-01-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
1SHD
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BU of 1shd by Molmil
PEPTIDE INHIBITORS OF SRC SH3-SH2-PHOSPHOPROTEIN INTERACTIONS
分子名称: C-SRC TYROSINE KINASE SH2 DOMAIN, TRKA RECEPTOR
著者Gilmer, T, Jordan, S.
登録日1994-11-10
公開日1995-01-26
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Peptide inhibitors of src SH3-SH2-phosphoprotein interactions.
J.Biol.Chem., 269, 1994
7Z7C
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BU of 7z7c by Molmil
Broadly neutralizing DARPin bnD.8 in complex with the HIV-1 envelope variable loop 3 peptide V3 (BF520)
分子名称: 1,2-ETHANEDIOL, Broadly neutralizing DARPin bnD.8, Envelope glycoprotein gp160, ...
著者Mittl, P.R, Gloegl, M.
登録日2022-03-15
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Trapping the HIV-1 V3 loop in a helical conformation enables broad neutralization.
Nat.Struct.Mol.Biol., 30, 2023
8URK
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BU of 8urk by Molmil
Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrates
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA1, DNA2, ...
著者Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K.
登録日2023-10-26
公開日2024-09-11
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024

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