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7URL
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BU of 7url by Molmil
The crystal structure of anti-HIV_scFv
Descriptor: SULFATE ION, anti-HIV scFv
Authors:Chen, S.H, Snow, C.D.
Deposit date:2022-04-22
Release date:2023-04-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:anti-HIV protease intracellular antibody scFv
To Be Published
8YLS
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BU of 8yls by Molmil
Structure of SARS-CoV-2 Mpro in complex with its degrader
Descriptor: (4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate, 3C-like proteinase nsp5
Authors:Feng, Y, Li, W, Cheng, S.H, Li, X.B.
Deposit date:2024-03-06
Release date:2024-09-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The Main Protease Degraders: Potent Broad-Spectrum Agents for Anti-Coronavirus Agents
To Be Published
1QLY
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BU of 1qly by Molmil
NMR Study of the SH3 Domain From Bruton's Tyrosine Kinase, 20 Structures
Descriptor: TYROSINE-PROTEIN KINASE BTK
Authors:Tzeng, S.R, Lou, Y.C, Pai, M.T, Chen, C, Chen, S.H, Cheng, J.Y.
Deposit date:1999-09-20
Release date:1999-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the Human Btk SH3 Domain Complexed with a Proline-Rich Peptide from P120Cbl
J.Biomol.NMR, 16, 2000
1JXS
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BU of 1jxs by Molmil
Solution Structure of the DNA-Binding Domain of Interleukin Enhancer Binding Factor
Descriptor: interleukin enhancer binding factor
Authors:Chuang, W.J, Liu, P.P, Li, C, Hsieh, Y.H, Chen, S.W, Chen, S.H, Jeng, W.Y.
Deposit date:2001-09-08
Release date:2003-03-11
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the DNA-binding domain of interleukin enhancer binding factor 1 (FOXK1a)
PROTEINS: STRUCT.,FUNCT.,GENET., 49, 2002
6ZFO
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BU of 6zfo by Molmil
Association of two complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-17
Release date:2020-07-08
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZDH
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BU of 6zdh by Molmil
SARS-CoV-2 Spike glycoprotein in complex with a neutralizing antibody EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-14
Release date:2020-07-01
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZCZ
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BU of 6zcz by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ...
Authors:Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-12
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZDG
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BU of 6zdg by Molmil
Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-14
Release date:2020-07-29
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZER
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BU of 6zer by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-16
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
7PQY
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BU of 7pqy by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FI-3A Fab heavy chain, FI-3A Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7PQZ
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BU of 7pqz by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A and FD-11A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FD-11A Fab heavy chain, FD-11A Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7PR0
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BU of 7pr0 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FD-5D Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FD-5D Fab heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7Q0A
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BU of 7q0a by Molmil
SARS-CoV-2 Spike ectodomain with Fab FI3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FI3A fab Light chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-10-14
Release date:2022-02-23
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
6XRX
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BU of 6xrx by Molmil
Crystal structure of the mosquito protein AZ1 as an MBP fusion
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein, ...
Authors:Pedersen, L.C, Mueller, G.A, Foo, A.C.Y.
Deposit date:2020-07-14
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The mosquito protein AEG12 displays both cytolytic and antiviral properties via a common lipid transfer mechanism.
Proc.Natl.Acad.Sci.USA, 118, 2021
8X0X
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BU of 8x0x by Molmil
Crystal structure of JE-5C in complex with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JE-5C Fab, Light chain of JE-5C Fab, ...
Authors:Mohapatra, A, Chen, X.
Deposit date:2023-11-06
Release date:2024-06-05
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8X0Y
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BU of 8x0y by Molmil
Crystal structure of JM-1A in complex with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heavy chain of JM-1A Fab, ...
Authors:Mohapatra, A, Chen, X.
Deposit date:2023-11-06
Release date:2024-06-05
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8YRP
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BU of 8yrp by Molmil
SARS-CoV-2 Delta Spike in complex with JM-1A
Descriptor: JM-1A Heavy Chain, JM-1A Light Chain, Spike glycoprotein
Authors:Nguyen, V.H.T, Chen, X.
Deposit date:2024-03-21
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8YZ5
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BU of 8yz5 by Molmil
SARS-CoV-2 Delta Spike in complex with Fab of JE-5C
Descriptor: Fab heavy chain of JE-5C, Fab light chain of JE-5C, Spike glycoprotein
Authors:Chen, X, Wu, Y.-M.
Deposit date:2024-04-06
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8YRO
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BU of 8yro by Molmil
SARS-CoV-2 Delta Spike in complex with JL-8C
Descriptor: JL-8C Heavy Chain, JL-8C Light Chain, Spike glycoprotein
Authors:Nguyen, V.H.T, Chen, X.
Deposit date:2024-03-21
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8YZ6
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BU of 8yz6 by Molmil
SARS-CoV-2 Spike (BA.1) in complex with Fab of JH-8B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain of JH-8B, ...
Authors:Chen, X, Wu, Y.-M.
Deposit date:2024-04-06
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
6LKA
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BU of 6lka by Molmil
Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds
Descriptor: 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H.
Deposit date:2019-12-18
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent.
Bioorg.Med.Chem., 28, 2020
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
Descriptor: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
Authors:Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
Deposit date:2023-02-21
Release date:2023-04-05
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
Descriptor: 3C-like proteinase nsp5
Authors:Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
Deposit date:2023-02-21
Release date:2023-04-05
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
5C9C
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BU of 5c9c by Molmil
CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND
Descriptor: 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf
Authors:Edwards, T, Abendroth, J, Chun, L.
Deposit date:2015-06-26
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Cancer Cell, 28, 2015

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