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5IPI
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BU of 5ipi by Molmil
Structure of Adeno-associated virus type 2 VLP
Descriptor: Capsid protein VP1
Authors:Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2016-03-09
Release date:2016-07-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
5IPK
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BU of 5ipk by Molmil
Structure of the R432A variant of Adeno-associated virus type 2 VLP
Descriptor: Capsid protein VP1
Authors:Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2016-03-09
Release date:2016-07-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
5CO5
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BU of 5co5 by Molmil
Crystal structure of Ac-AChBP in complex with conotoxin GIC
Descriptor: Alpha-conotoxin GIC, Soluble acetylcholine receptor
Authors:Wang, X.Q, Xu, M.Y, Luo, S.L, Lin, B.
Deposit date:2015-07-19
Release date:2016-07-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Ac-AChBP in complex with conotoxin GIC
To Be Published
6Y4N
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BU of 6y4n by Molmil
Structure of Tubulin Tyrosine Ligase in Complex with Tb116
Descriptor: (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
Deposit date:2020-02-21
Release date:2021-03-31
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
6Y4M
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BU of 6y4m by Molmil
Structure of Tubulin Tyrosine Ligase in Complex with Tb111
Descriptor: (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
Deposit date:2020-02-21
Release date:2021-03-31
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
6MQE
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BU of 6mqe by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody DFPH-a.15 in complex with HIV fusion peptide (residue 512-519)
Descriptor: DFPHa.15 antibody Fab heavy chain, DFPHa.15 antibody Fab light chain, HIV fusion peptide
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-09
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.459 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQS
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BU of 6mqs by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody A12V163-a.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV fusion peptide residue 512-519, antibody A12V163-a.01 heavy chain, antibody A12V163-a.01 light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-10
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6NF2
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BU of 6nf2 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-c.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
Descriptor: 0PV-c.01 Heavy Chain, 0PV-c.01 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2018-12-18
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6OT1
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BU of 6ot1 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-b.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
Descriptor: 0PV-b.01 heavy, 0PV-b.01 light, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2019-05-02
Release date:2019-08-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6OSY
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BU of 6osy by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-a.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
Descriptor: 0PV-a.01 Heavy, 0PV-a.01 Light, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2019-05-02
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6UBI
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BU of 6ubi by Molmil
N123-VRC34.05 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
Descriptor: HIV fusion peptide 512-519, VRC34.05 heavy chain, VRC34.05 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2019-09-11
Release date:2020-03-18
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
6UCE
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BU of 6uce by Molmil
N123-VRC34_pI3 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
Descriptor: HIV fusion peptide, N123-VRC34_pI3 heavy chain, N123-VRC34_pI3 light chain
Authors:Xu, K, Kwong, P.D.
Deposit date:2019-09-16
Release date:2020-03-18
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.382 Å)
Cite:VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
6UCF
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BU of 6ucf by Molmil
N123-VRC34_pI4 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
Descriptor: HIV fusion peptide, N123-VRC34_pI4 heavy chain, N123-VRC34_pI4 light chain
Authors:Xu, K, Kwong, P.D.
Deposit date:2019-09-16
Release date:2020-03-18
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
6VRW
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BU of 6vrw by Molmil
Cryo-EM structure of stabilized HIV-1 Env trimer CAP256.wk34.c80 SOSIP.RnS2
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 gp120, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-02-10
Release date:2020-03-11
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structure of Super-Potent Antibody CAP256-VRC26.25 in Complex with HIV-1 Envelope Reveals a Combined Mode of Trimer-Apex Recognition.
Cell Rep, 31, 2020
6VTT
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BU of 6vtt by Molmil
Cryo-EM Structure of CAP256-VRC26.25 Fab bound to HIV-1 Env trimer CAP256.wk34.c80 SOSIP.RnS2
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 gp120, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-02-13
Release date:2020-04-08
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of Super-Potent Antibody CAP256-VRC26.25 in Complex with HIV-1 Envelope Reveals a Combined Mode of Trimer-Apex Recognition.
Cell Rep, 31, 2020
8TXG
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BU of 8txg by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 8
Descriptor: (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8TXH
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BU of 8txh by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 14
Descriptor: (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8TXE
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BU of 8txe by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 5
Descriptor: (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
6EGC
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BU of 6egc by Molmil
Single-chain version of 2L4HC2_23 (PDB 5J0K)
Descriptor: SC_2L4HC2_23
Authors:Bick, M.J, Chen, Z, DiMaio, F.
Deposit date:2018-08-19
Release date:2019-05-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Self-Assembling 2D Arrays with de Novo Protein Building Blocks.
J.Am.Chem.Soc., 141, 2019
5WDF
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BU of 5wdf by Molmil
Crystal structure of 10E8v4-5R+100cF Fab in complex with HIV-1 gp41 peptide
Descriptor: 10E8v4-5R+100cF Fab heavy chain, FA10E8v4-5R+100cF FAB light chain, HIV-1 gp41 peptide
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2017-07-05
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Surface-Matrix Screening Identifies Semi-specific Interactions that Improve Potency of a Near Pan-reactive HIV-1-Neutralizing Antibody.
Cell Rep, 22, 2018
6NPW
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BU of 6npw by Molmil
SSu72/Sympk in complex with Ser2/Ser5 phosphorylated peptide
Descriptor: PHOSPHATE ION, Ser2/Ser5 phosphorylated peptide, Ssu72 ortholog, ...
Authors:Irani, S, Zhang, Y.
Deposit date:2019-01-18
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Structural determinants for accurate dephosphorylation of RNA polymerase II by its cognate C-terminal domain (CTD) phosphatase during eukaryotic transcription.
J.Biol.Chem., 294, 2019
5DEY
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BU of 5dey by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound G-5555
Descriptor: 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2015-08-26
Release date:2016-01-27
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
Descriptor: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R, Wang, W.
Deposit date:2015-08-27
Release date:2016-01-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
6LCY
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BU of 6lcy by Molmil
Crystal structure of Synaptotagmin-7 C2B in complex with IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7
Authors:Zhang, Y, Zhang, X, Rao, F, Wang, C.
Deposit date:2019-11-20
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
6MPH
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BU of 6mph by Molmil
Cryo-EM structure at 3.8 A resolution of HIV-1 fusion peptide-directed antibody, DF1W-a.01, elicited by vaccination of Rhesus macaques, in complex with stabilized HIV-1 Env BG505 DS-SOSIP, which was also bound to antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DF1W-a.01 Light chain, ...
Authors:Acharya, P, Xu, K, Kwong, P.D.
Deposit date:2018-10-06
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019

 

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