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9EYX
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BU of 9eyx by Molmil
Human PRMT5 in complex with AZ compound 28
Descriptor: (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, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: (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, ...
Authors:Debreczeni, J.
Deposit date:2024-04-09
Release date:2024-08-14
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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.
Descriptor: 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34)
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-31
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.904 Å)
Cite: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.
Descriptor: 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, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-31
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.97 Å)
Cite: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.
Descriptor: CALCIUM ION, Calmodulin, IMIDAZOLE, ...
Authors:Stowe, S.D, Clarke, O.B, Cavalier, M.C, Godoy-Ruiz, R, Mancia, F, Weber, D.J.
Deposit date:2016-05-30
Release date:2016-08-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.739 Å)
Cite: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
Descriptor: 16.g.07 Heavy chain, 16.g.07 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.785 Å)
Cite: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
Descriptor: 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.387 Å)
Cite: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
Descriptor: 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-11-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.503 Å)
Cite: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
Descriptor: FARNESYL DIPHOSPHATE, Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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)
Descriptor: Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2021-02-12
Release date:2022-02-23
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2015-08-18
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.62 Å)
Cite: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
Descriptor: AF2299 protein,Phosphatidylinositol synthase, MAGNESIUM ION, Octadecane, ...
Authors: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.
Deposit date:2015-08-18
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhou, T, Cheung, S.F, Kwong, P.D.
Deposit date:2019-10-23
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2017-02-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.514 Å)
Cite: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
Descriptor: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite: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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose (L-Ara4N) transferase, CHLORIDE ION, ...
Authors:Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2015-11-30
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
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
5EZM
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BU of 5ezm by Molmil
Crystal Structure of ArnT from Cupriavidus metallidurans in the apo state
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose transferase or related glycosyltransferases of PMT family, CHLORIDE ION, ...
Authors:Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2015-11-26
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: CAP228-16H Heavy Chain, CAP228-16H Light Chain, CAP45 V2 peptide, ...
Authors:Wibmer, C.K, Fernandes, M, Vijayakumar, B, Dirr, H.W, Sayed, Y, Moore, P.L, Morris, L.
Deposit date:2018-03-10
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite: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
Descriptor: DNA/RNA-binding protein Alba 1
Authors:Cui, Q, Tong, Y, Wang, J.
Deposit date:2004-12-16
Release date:2005-06-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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)
Descriptor: P3E6 heavy chain, P3E6 light chain, Spike glycoprotein
Authors:Tang, B, Dang, S.
Deposit date:2022-07-22
Release date:2022-12-28
Last modified:2023-01-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: C-SRC TYROSINE KINASE SH2 DOMAIN, TRKA RECEPTOR
Authors:Gilmer, T, Jordan, S.
Deposit date:1994-11-10
Release date:1995-01-26
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, Broadly neutralizing DARPin bnD.8, Envelope glycoprotein gp160, ...
Authors:Mittl, P.R, Gloegl, M.
Deposit date:2022-03-15
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.22 Å)
Cite: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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA1, DNA2, ...
Authors:Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K.
Deposit date:2023-10-26
Release date:2024-09-11
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024

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